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C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2=CC=CC(C3=CN=CN=C3)=C2)CC1	REAL300001003235	0	48	0.0	-65.02	363.98	9.37	-55.65
CC[C@@H](COC)NC(=O)C12CCC1(C(=O)[O-])C[N@H+](CC1=CC=CC=C1)C2	REAL300001003277	0	54	0.0	-61.73	405.80	8.21	-53.52
CC[C@@H](COC)NC(=O)C12CCC1(C(=O)[O-])C[N@@H+](CC1=CC=CC=C1)C2	REAL300001003277	1	54	0.0	-50.85	399.03	9.01	-41.84
CC[C@@H](COC)NC(=O)CC1(C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300001003278	0	53	0.0	-52.77	401.25	8.86	-43.91
CC[C@@H](COC)NC(=O)CC1(C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001003278	1	53	0.0	-52.68	400.79	8.88	-43.80
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2=CC=CC(C3=CC=CN=C3)=C2)CC1	REAL300001003321	0	49	0.0	-66.04	369.01	9.58	-56.46
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2=CC=CC=C2C2CC2(F)F)CC1	REAL300001003389	0	47	0.0	-61.11	357.14	10.29	-50.82
CC1=CC(C)=C([C@H](C)NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)C(C)=C1	REAL300001003456	0	55	0.0	-61.55	391.31	11.08	-50.47
C[NH+]1CCC(CC(=O)[O-])(C(=O)N[C@@H](C2CC2)C(F)(F)F)CC1	REAL300001003507	0	43	0.0	-58.76	328.52	7.66	-51.10
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CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC(C)(C)CC(=O)[O-]	REAL300001003696	1	59	0.0	-86.06	442.00	9.90	-76.16
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC(=O)[O-]	REAL300001003697	0	50	0.0	-78.86	398.55	8.47	-70.39
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC(=O)[O-]	REAL300001003697	1	50	0.0	-76.42	400.00	8.46	-67.96
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CSCC(=O)[O-]	REAL300001003698	0	51	0.0	-88.10	422.78	9.04	-79.06
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CSCC(=O)[O-]	REAL300001003698	1	51	0.0	-87.14	422.22	8.97	-78.17
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC(C)(C)C(=O)[O-]	REAL300001003699	0	56	0.0	-79.33	431.17	9.57	-69.76
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC(C)(C)C(=O)[O-]	REAL300001003699	1	56	0.0	-77.34	431.10	9.56	-67.78
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1CCC(C(=O)[O-])O1	REAL300001003700	0	55	0.0	-94.70	435.02	9.52	-85.18
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1CCC(C(=O)[O-])O1	REAL300001003700	1	55	0.0	-92.16	434.57	9.36	-82.80
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC1(C(=O)[O-])CCC1	REAL300001003701	0	57	0.0	-90.30	441.51	10.17	-80.13
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC1(C(=O)[O-])CCC1	REAL300001003701	1	57	0.0	-80.89	437.86	10.81	-70.08
CC(CC(=O)[O-])CC(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300001003702	0	56	0.0	-87.34	433.47	9.64	-77.70
CC(CC(=O)[O-])CC(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300001003702	1	56	0.0	-86.66	432.86	9.71	-76.95
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1CC(C(=O)[O-])C1	REAL300001003703	0	54	0.0	-85.98	426.15	9.64	-76.34
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1CC(C(=O)[O-])C1	REAL300001003703	1	54	0.0	-82.94	426.60	9.64	-73.30
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1C(C(=O)[O-])C1(C)C	REAL300001003704	0	57	0.0	-81.03	441.15	10.16	-70.87
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1C(C(=O)[O-])C1(C)C	REAL300001003704	1	57	0.0	-82.04	441.59	10.17	-71.87
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1CCCC1C(=O)[O-]	REAL300001003705	0	57	0.0	-89.27	440.63	10.25	-79.02
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1CCCC1C(=O)[O-]	REAL300001003705	1	57	0.0	-58.77	437.96	10.52	-48.25
CCC(C)(CC(=O)[O-])C(=O)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300001003706	0	59	0.0	-80.73	445.60	9.92	-70.81
CCC(C)(CC(=O)[O-])C(=O)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NN1C	REAL300001003706	1	59	0.0	-82.48	443.71	9.91	-72.57
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300001003707	0	51	0.0	-89.34	407.92	9.16	-80.18
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300001003707	1	51	0.0	-90.00	407.55	8.98	-81.02
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCCCC(=O)[O-]	REAL300001003708	0	59	0.0	-89.65	464.46	10.80	-78.85
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCCCC(=O)[O-]	REAL300001003708	1	59	0.0	-88.04	464.93	10.82	-77.22
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC1(CC(=O)[O-])CC1	REAL300001003709	0	57	0.0	-80.79	446.97	10.40	-70.39
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC1(CC(=O)[O-])CC1	REAL300001003709	1	57	0.0	-81.89	445.64	10.30	-71.59
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC1(C(=O)[O-])CC1	REAL300001003710	0	54	0.0	-85.33	424.32	10.60	-74.73
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CC1(C(=O)[O-])CC1	REAL300001003710	1	54	0.0	-83.95	424.13	10.57	-73.38
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=C(C(=O)[O-])CCC1	REAL300001003711	0	55	0.0	-96.53	436.01	10.32	-86.21
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)C1=C(C(=O)[O-])CCC1	REAL300001003711	1	55	0.0	-75.26	437.30	10.19	-65.07
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCCC(=O)[O-]	REAL300001003712	0	56	0.0	-84.48	442.96	10.01	-74.47
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCCC(=O)[O-]	REAL300001003712	1	56	0.0	-82.77	443.43	10.04	-72.73
CC(C)N1CC(C)(CNC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)C1=O	REAL300001003744	0	53	0.0	-78.11	393.77	7.38	-70.73
CCC(CC)CNC(=O)C12CCC1(C(=O)[O-])C[N@H+](CC1=CC=CC=C1)C2	REAL300001003783	0	56	0.0	-66.46	410.98	10.74	-55.72
CCC(CC)CNC(=O)C12CCC1(C(=O)[O-])C[N@@H+](CC1=CC=CC=C1)C2	REAL300001003783	1	56	0.0	-67.43	411.93	10.50	-56.93
CCC(CC)CNC(=O)CC1(C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300001003784	0	55	0.0	-56.63	405.23	11.11	-45.52
CCC(CC)CNC(=O)CC1(C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001003784	1	55	0.0	-57.07	405.63	11.14	-45.93
CN1N=CC=C1[C@@H]1CCCC[C@@H]1NC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1	REAL300001003826	0	56	0.0	-63.01	391.45	9.74	-53.27
C[NH+]1CCC(CC(=O)[O-])(C(=O)N[C@@H]2CC3(CCC3)OC3=CC=C(F)C=C32)CC1	REAL300001003889	0	55	0.0	-59.37	401.94	10.26	-49.11
CC1=CC(CNC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)=CC=C1Cl	REAL300001003947	0	46	0.0	-63.32	361.10	9.30	-54.02
C[NH+]1CCC(CC(=O)[O-])(C(=O)N[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C2=CC=CC=C2)CC1	REAL300001004008	0	55	0.0	-64.13	396.07	11.73	-52.40
CC(C)C(NC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1)C(F)(F)F	REAL300001004060	0	45	0.0	-58.69	336.16	7.69	-51.00
CC(C)C(NC(=O)C12CCC1(C(=O)[O-])C[N@H+](CC1=CC=CC=C1)C2)C(F)(F)F	REAL300001004073	0	53	0.0	-76.46	403.67	11.28	-65.18
CC(C)C(NC(=O)C12CCC1(C(=O)[O-])C[N@@H+](CC1=CC=CC=C1)C2)C(F)(F)F	REAL300001004073	1	53	0.0	-71.48	408.66	10.36	-61.12
CC(C)C(NC(=O)CC1(C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300001004076	0	52	0.0	-54.04	402.90	11.02	-43.02
CC(C)C(NC(=O)CC1(C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300001004076	1	52	0.0	-59.57	403.48	10.96	-48.61
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC2CC(C)(C)OC(C)(C)C2)CC1	REAL300001004122	0	59	0.0	-63.78	414.12	8.83	-54.95
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC2=CC(Cl)=CC=C2Cl)CC1	REAL300001004190	0	43	0.0	-62.48	357.10	9.08	-53.40
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CC12CCC(CNC(=O)C34CCC3(C(=O)[O-])C[N@@H+](CC3=CC=CC=C3)C4)(CO1)C2	REAL300001016693	1	59	0.0	-73.36	441.86	10.22	-63.14
CC12CCC(CNC(=O)CC3(C(=O)[O-])CC[N@H+](CC4=CC=CC=C4)C3)(CO1)C2	REAL300001016696	0	58	0.0	-55.67	436.41	10.25	-45.42
CC12CCC(CNC(=O)CC3(C(=O)[O-])CC[N@@H+](CC4=CC=CC=C4)C3)(CO1)C2	REAL300001016696	1	58	0.0	-53.66	432.83	10.24	-43.42
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C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC23CCC(C(F)(F)F)(CC2)CC3)CC1	REAL300001016865	0	56	0.0	-64.33	400.43	10.32	-54.01
COCC1=CC(CNC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)=NO1	REAL300001016950	0	46	0.0	-61.08	356.55	5.35	-55.73
COCC1=CC(CNC(=O)C23CCC2(C(=O)[O-])C[N@H+](CC2=CC=CC=C2)C3)=NO1	REAL300001016964	0	54	0.0	-63.17	429.41	7.78	-55.39
COCC1=CC(CNC(=O)C23CCC2(C(=O)[O-])C[N@@H+](CC2=CC=CC=C2)C3)=NO1	REAL300001016964	1	54	0.0	-74.02	429.18	8.02	-66.00
COCC1=CC(CNC(=O)CC2(C(=O)[O-])CC[N@H+](CC3=CC=CC=C3)C2)=NO1	REAL300001016967	0	53	0.0	-57.02	425.15	8.59	-48.43
COCC1=CC(CNC(=O)CC2(C(=O)[O-])CC[N@@H+](CC3=CC=CC=C3)C2)=NO1	REAL300001016967	1	53	0.0	-57.92	423.37	8.61	-49.31
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC2=CC=CC(CNS(C)(=O)=O)=C2)CC1	REAL300001017006	0	54	0.0	-77.62	425.58	5.00	-72.62
CCCCC1=CC=C(CCNC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)C=C1	REAL300001017076	0	58	0.0	-65.17	433.03	11.98	-53.19
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC2C[C@@H]3CCCC[C@H]3O2)CC1	REAL300001017137	0	54	0.0	-67.08	384.38	7.96	-59.12
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC2(C(C)(F)F)CC2)CC1	REAL300001017184	0	46	0.0	-65.16	346.49	8.10	-57.06
CC(F)(F)C1(CNC(=O)C23CCC2(C(=O)[O-])C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300001017195	0	54	0.0	-67.03	419.43	11.45	-55.58
CC(F)(F)C1(CNC(=O)C23CCC2(C(=O)[O-])C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300001017195	1	54	0.0	-68.36	414.19	11.74	-56.62
CC(F)(F)C1(CNC(=O)CC2(C(=O)[O-])CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300001017198	0	53	0.0	-54.05	411.55	11.42	-42.63
CC(F)(F)C1(CNC(=O)CC2(C(=O)[O-])CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300001017198	1	53	0.0	-56.76	413.18	11.13	-45.63
CCS(=O)(=O)N(C)CCNC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1	REAL300001017243	0	50	0.0	-71.04	385.85	4.09	-66.95
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC(F)C2=CC=CC=C2)CC1	REAL300001017315	0	46	0.0	-61.08	352.20	8.98	-52.10
O=C([O-])C12CCC1(C(=O)NCC(F)C1=CC=CC=C1)C[N@H+](CC1=CC=CC=C1)C2	REAL300001017327	0	54	0.0	-50.87	420.76	12.32	-38.55
O=C([O-])C12CCC1(C(=O)NCC(F)C1=CC=CC=C1)C[N@@H+](CC1=CC=CC=C1)C2	REAL300001017327	1	54	0.0	-72.73	424.30	11.84	-60.89
O=C([O-])C1(CC(=O)NCC(F)C2=CC=CC=C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001017330	0	53	0.0	-59.71	420.87	12.22	-47.49
O=C([O-])C1(CC(=O)NCC(F)C2=CC=CC=C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001017330	1	53	0.0	-57.12	419.02	12.24	-44.88
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC2CC(C(F)(F)F)C2)CC1	REAL300001017368	0	46	0.0	-63.22	351.63	8.15	-55.07
O=C([O-])C1(CC(=O)NCC2CC(C(F)(F)F)C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001017388	0	53	0.0	-57.01	420.20	11.38	-45.63
O=C([O-])C1(CC(=O)NCC2CC(C(F)(F)F)C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001017388	1	53	0.0	-61.00	419.73	11.04	-49.96
COC1=CC=C(C(CNC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)C(F)F)C=C1	REAL300001017438	0	53	0.0	-70.50	399.29	9.10	-61.40
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC2CC(C3CC3)C2)CC1	REAL300001017484	0	50	0.0	-64.10	365.63	9.39	-54.71
O=C([O-])C12CCC1(C(=O)NCC1CC(C3CC3)C1)C[N@H+](CC1=CC=CC=C1)C2	REAL300001017492	0	58	0.0	-73.53	436.64	12.91	-60.62
O=C([O-])C12CCC1(C(=O)NCC1CC(C3CC3)C1)C[N@@H+](CC1=CC=CC=C1)C2	REAL300001017492	1	58	0.0	-74.30	441.76	12.68	-61.62
O=C([O-])C1(CC(=O)NCC2CC(C3CC3)C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001017494	0	57	0.0	-56.49	434.76	12.59	-43.90
O=C([O-])C1(CC(=O)NCC2CC(C3CC3)C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001017494	1	57	0.0	-53.77	432.33	12.66	-41.11
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2=CC=CC=C2OC2COC2)CC1	REAL300001017539	0	49	0.0	-64.91	366.71	6.84	-58.07
CC(C)(C)C(C)(C)NC(=O)C12CCC1(C(=O)[O-])C[N@H+](CC1=CC=CC=C1)C2	REAL300001017587	0	59	0.0	-65.10	417.17	10.65	-54.45
CC(C)(C)C(C)(C)NC(=O)C12CCC1(C(=O)[O-])C[N@@H+](CC1=CC=CC=C1)C2	REAL300001017587	1	59	0.0	-64.73	413.69	10.73	-54.00
CC(C)(C)C(C)(C)NC(=O)CC1(C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300001017588	0	58	0.0	-54.36	411.34	11.17	-43.19
CC(C)(C)C(C)(C)NC(=O)CC1(C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001017588	1	58	0.0	-55.34	407.66	11.13	-44.21
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC2=CC=CC(C3=NNC=N3)=C2)CC1	REAL300001017681	0	49	0.0	-66.45	381.13	9.03	-57.42
C[C@@H](NC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1)C1=CC=CC2=CN=CC=C21	REAL300001017799	0	51	0.0	-64.11	380.08	9.35	-54.76
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2=CC=CC(C(C)(C)C#N)=C2)CC1	REAL300001017867	0	50	0.0	-70.22	376.40	9.88	-60.34
CN1N=CC=C1C(NC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1)C1=CC=CN=C1	REAL300001017939	0	52	0.0	-64.03	383.12	7.99	-56.04
CN1C=C(C(NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)C2CCC2)C=N1	REAL300001018007	0	53	0.0	-62.70	384.56	8.41	-54.29
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC(C)(C)C2=NC=CC(C(F)(F)F)=N2)CC1	REAL300001018069	0	50	0.0	-64.59	386.06	7.84	-56.75
CCCCCNC(=O)C1=CC=CC=C1NC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1	REAL300001018129	0	59	0.0	-67.71	437.70	9.75	-57.96
CN1N=NC(CNC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)=C1C(F)(F)F	REAL300001018194	0	45	0.0	-67.29	355.15	5.37	-61.92
COC(=O)C1=NC2=CC=C(NC(=O)C3(CC(=O)[O-])CC[NH+](C)CC3)C=C2S1	REAL300001018257	0	48	0.0	-71.88	388.38	8.08	-63.80
COCC1(NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)CC(F)(F)C1	REAL300001018315	0	47	0.0	-65.17	354.81	6.31	-58.86
COCC1(NC(=O)CC2(C(=O)[O-])CC[N@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300001018335	0	54	0.0	-59.36	419.17	9.40	-49.96
COCC1(NC(=O)CC2(C(=O)[O-])CC[N@@H+](CC3=CC=CC=C3)C2)CC(F)(F)C1	REAL300001018335	1	54	0.0	-58.01	421.36	9.07	-48.94
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2=CC=C(OCC3=NNC=N3)C=C2)CC1	REAL300001018378	0	50	0.0	-70.33	385.70	8.29	-62.04
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2=CC=C(OCC3=NN=CN3)C=C2)CC1	REAL300001018378	1	50	0.0	-69.44	384.45	8.82	-60.62
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300001018443	1	47	0.0	-65.10	369.65	8.83	-56.27
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1(C(=O)[O-])CCCCCC1	REAL300001018444	1	50	0.0	-64.99	355.89	8.84	-56.15
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1(C(=O)[O-])CCCC1	REAL300001018445	1	44	0.0	-61.37	343.20	7.44	-53.93
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC(C(=O)[O-])C1=CC=CC=C1	REAL300001018446	1	44	0.0	-58.92	360.02	8.71	-50.21
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1(C(=O)[O-])CCCCC1	REAL300001018447	1	47	0.0	-61.88	353.45	7.80	-54.08
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1CC=CCC1C(=O)[O-]	REAL300001018448	1	42	0.0	-64.06	337.21	6.71	-57.35
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1(CC(=O)[O-])CCCCC1	REAL300001018449	1	50	0.0	-55.90	359.57	8.56	-47.34
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1(CC(=O)[O-])CCCC1	REAL300001018450	1	47	0.0	-56.31	350.21	8.19	-48.12
CCC(CC)(CC(=O)NC1=C(OC)C=C(C)[NH+]=C1C)C(=O)[O-]	REAL300001018451	1	46	0.0	-63.06	345.57	7.12	-55.94
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300001018452	1	48	0.0	-61.53	382.50	9.58	-51.95
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(C)(CC(=O)[O-])C1CCCCC1	REAL300001018453	1	53	0.0	-57.66	377.79	9.61	-48.05
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300001018454	1	42	0.0	-42.09	323.45	7.74	-34.35
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1CC=CCC1C(=O)[O-]	REAL300001018455	1	42	0.0	-64.06	337.21	6.71	-57.35
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1C2C=CC(CC2)C1C(=O)[O-]	REAL300001018456	1	46	0.0	-49.91	346.17	8.53	-41.38
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC(C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001018457	1	47	0.0	-56.53	385.04	9.43	-47.10
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1(CC(=O)[O-])CCC1	REAL300001018458	1	44	0.0	-56.66	338.30	7.68	-48.98
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1(C(=O)[O-])CCOC1	REAL300001018459	1	42	0.0	-60.51	331.68	4.97	-55.54
COC1=CC=C(N(CC(=O)[O-])CC(=O)NC2=C(OC)C=C(C)[NH+]=C2C)C=C1	REAL300001018460	1	50	0.0	-64.36	408.42	7.39	-56.97
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CN(CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001018461	1	46	0.0	-60.76	395.63	8.61	-52.15
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(C)SC(C)C(=O)[O-]	REAL300001018462	1	41	0.0	-69.54	340.51	7.44	-62.10
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=C(C(=O)[O-])CCCC1	REAL300001018463	1	42	0.0	-49.66	330.46	7.76	-41.90
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1(C(=O)[O-])CCCC2=CC=CC=C21	REAL300001018464	1	51	0.0	-69.42	385.02	10.35	-59.07
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300001018465	1	38	0.0	-66.38	325.47	8.33	-58.05
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	REAL300001018466	1	44	0.0	-61.95	337.28	6.55	-55.40
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=C(C)C=CC(C)=C1C(=O)[O-]	REAL300001018467	1	44	0.0	-57.04	346.81	9.00	-48.04
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(C)(CC(=O)[O-])C1=CSC=C1	REAL300001018468	1	44	0.0	-54.22	361.05	7.59	-46.63
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(CC(=O)[O-])C1=C(F)C=CC=C1Cl	REAL300001018469	1	44	0.0	-58.80	364.74	9.12	-49.68
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(C)(CC(=O)[O-])CC(C)C	REAL300001018470	1	49	0.0	-35.35	345.36	7.58	-27.77
CCC(CC(=O)[O-])(C(=O)NC1=C(OC)C=C(C)[NH+]=C1C)C1=CC=C(C)C=C1	REAL300001018471	1	53	0.0	-55.65	395.33	10.46	-45.19
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(C)(CC(=O)[O-])C1=CC=C(F)C=C1	REAL300001018472	1	47	0.0	-60.35	375.35	8.57	-51.78
COC1=CC(C)=NC(C)=C1NC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1	REAL300001018473	0	49	0.0	-66.44	364.39	7.91	-58.53
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(C)(C)SCC(=O)[O-]	REAL300001018474	1	41	0.0	-68.28	342.48	6.08	-62.20
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	REAL300001018475	1	43	0.0	-45.09	323.80	8.43	-36.66
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300001018476	1	48	0.0	-66.77	373.96	10.21	-56.56
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@H]1C[C@]1(C(=O)[O-])C1=CC=CC=C1	REAL300001018477	1	45	0.0	-70.69	368.01	9.36	-61.33
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300001018478	1	44	0.0	-71.02	347.80	6.80	-64.22
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1(C2=CC=CC=C2)CC1C(=O)[O-]	REAL300001018479	1	45	0.0	-64.58	368.87	9.61	-54.97
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC1(C(=O)[O-])CC(F)(F)C1(F)F	REAL300001018480	1	41	0.0	-58.47	346.57	7.15	-51.32
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(CC(=O)[O-])CC(C)C	REAL300001018481	1	46	0.0	-56.51	351.32	8.12	-48.39
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-]	REAL300001018482	1	46	0.0	-44.99	339.30	8.76	-36.23
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300001018483	1	47	0.0	-61.71	382.76	8.88	-52.83
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=C(C)SC(C)=C1C(=O)[O-]	REAL300001018484	1	41	0.0	-61.55	348.81	6.94	-54.61
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CCCCCCC(=O)[O-]	REAL300001018485	1	46	0.0	-66.96	373.29	7.54	-59.42
CCC1CC(C(=O)[O-])C(C(=O)NC2=C(OC)C=C(C)[NH+]=C2C)C1	REAL300001018486	1	47	0.0	-44.27	359.41	8.37	-35.90
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300001018487	1	43	0.0	-54.61	334.79	5.66	-48.95
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=C(C(=O)[O-])CCCCC1	REAL300001018488	1	45	0.0	-73.60	345.58	9.14	-64.46
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1CCC(C(=O)[O-])S1	REAL300001018489	1	39	0.0	-62.96	331.25	6.00	-56.96
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C12CC1(C(=O)[O-])CCC2	REAL300001018490	1	42	0.0	-69.41	334.21	7.55	-61.86
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1C2CCC(CC2)C1C(=O)[O-]	REAL300001018491	1	48	0.0	-51.34	359.09	7.47	-43.87
COC1=CC(C)=[NH+]C(C)=C1NC(=O)[C@@H]1CCCCC[C@@H]1C(=O)[O-]	REAL300001018492	1	47	0.0	-61.50	351.85	7.88	-53.62
COC1=CC(C)=NC(C)=C1NC(=O)CC1(C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300001018493	0	56	0.0	-61.48	438.64	10.42	-51.06
COC1=CC(C)=NC(C)=C1NC(=O)CC1(C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001018493	1	56	0.0	-58.51	436.35	10.42	-48.09
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC(C(=O)[O-])C1CCCCC1	REAL300001018494	1	50	0.0	-65.28	370.97	9.15	-56.13
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(CC(=O)[O-])C1=CC=C(Cl)C=C1Cl	REAL300001018495	1	44	0.0	-55.45	387.85	8.66	-46.79
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C1=C(C(=O)[O-])CCCCCC1	REAL300001018496	1	48	0.0	-72.16	352.89	9.59	-62.57
COC1=CC(C)=[NH+]C(C)=C1NC(=O)CC(CC1=CC=CC=C1)C(=O)[O-]	REAL300001018497	1	47	0.0	-64.40	378.73	9.16	-55.24
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300001018498	1	47	0.0	-44.57	387.59	10.55	-34.02
COC1=CC=C(C(CC(=O)[O-])C(=O)NC2=C(OC)C=C(C)[NH+]=C2C)C=C1	REAL300001018499	1	48	0.0	-60.99	386.51	7.73	-53.26
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001018500	1	44	0.0	-56.48	376.35	8.30	-48.18
C[NH+]1CCC(CC(=O)[O-])(C(=O)N[C@H](C2CCOCC2)C(F)(F)F)CC1	REAL300001018537	0	50	0.0	-67.68	366.33	7.37	-60.31
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2(C3=CC=CC(F)=C3)CCCCC2)CC1	REAL300001018602	0	56	0.0	-69.43	392.68	11.53	-57.90
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2(C)CCC3=CC=CC=C3C2)CC1	REAL300001018669	0	53	0.0	-59.29	375.55	10.61	-48.68
CC(NC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1)C1=CN=C2CCCCN12	REAL300001018735	0	53	0.0	-68.52	382.17	8.95	-59.57
CCC1(NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)CCCCCC1	REAL300001018786	0	55	0.0	-58.95	348.29	9.97	-48.98
CCC1(NC(=O)C23CCC2(C(=O)[O-])C[N@H+](CC2=CC=CC=C2)C3)CCCCCC1	REAL300001018799	0	63	0.0	-57.31	431.41	13.64	-43.67
CCC1(NC(=O)C23CCC2(C(=O)[O-])C[N@@H+](CC2=CC=CC=C2)C3)CCCCCC1	REAL300001018799	1	63	0.0	-73.20	426.23	13.86	-59.34
CCC1(NC(=O)CC2(C(=O)[O-])CC[N@H+](CC3=CC=CC=C3)C2)CCCCCC1	REAL300001018802	0	62	0.0	-52.47	423.49	13.59	-38.88
CCC1(NC(=O)CC2(C(=O)[O-])CC[N@@H+](CC3=CC=CC=C3)C2)CCCCCC1	REAL300001018802	1	62	0.0	-52.27	425.79	13.64	-38.63
COC1=NSC(C(C)NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)=C1	REAL300001018844	0	46	0.0	-60.27	362.35	4.88	-55.39
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2C3CC4CC2CC(O)(C4)C3)CC1	REAL300001018909	0	55	0.0	-70.95	375.25	6.65	-64.30
COC1=CC=C2NC3=C(CCCC3NC(=O)C3(CC(=O)[O-])CC[NH+](C)CC3)C2=C1	REAL300001018993	0	58	0.0	-64.97	426.82	9.42	-55.55
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2=CC3=C(C=C2Cl)OCCC3)CC1	REAL300001019053	0	48	0.0	-63.55	367.56	9.19	-54.36
COCC1(NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)CC=CCC1	REAL300001019105	0	51	0.0	-63.09	359.50	8.46	-54.63
COCC1(NC(=O)C23CCC2(C(=O)[O-])C[N@H+](CC2=CC=CC=C2)C3)CC=CCC1	REAL300001019118	0	59	0.0	-69.48	437.98	10.92	-58.56
COCC1(NC(=O)C23CCC2(C(=O)[O-])C[N@@H+](CC2=CC=CC=C2)C3)CC=CCC1	REAL300001019118	1	59	0.0	-70.17	434.09	10.89	-59.28
COCC1(NC(=O)CC2(C(=O)[O-])CC[N@H+](CC3=CC=CC=C3)C2)CC=CCC1	REAL300001019121	0	58	0.0	-55.99	430.10	10.84	-45.15
COCC1(NC(=O)CC2(C(=O)[O-])CC[N@@H+](CC3=CC=CC=C3)C2)CC=CCC1	REAL300001019121	1	58	0.0	-53.97	432.48	10.77	-43.20
COC1=NC2=CC(NC(=O)C3(CC(=O)[O-])CC[NH+](C)CC3)=CC=C2C=C1	REAL300001019215	0	49	0.0	-64.43	373.08	6.86	-57.57
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1	REAL300001019323	0	51	0.0	-66.65	397.34	9.44	-57.21
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2CCCCC2C2=CC=CC=C2)CC1	REAL300001019433	0	56	0.0	-67.03	404.61	11.42	-55.61
COC(=O)C1(C2=CC=C(NC(=O)C3(CC(=O)[O-])CC[NH+](C)CC3)C=C2)CCC1	REAL300001019497	0	56	0.0	-67.82	414.54	11.07	-56.75
CC1=C(Br)C=CC(NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)=C1C	REAL300001019559	0	46	0.0	-62.30	353.65	9.88	-52.42
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC23CC4CC(CC(CO)(C4)C2)C3)CC1	REAL300001019624	0	58	0.0	-66.67	390.84	6.64	-60.03
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2=CC(F)=C(C#N)C(Br)=C2)CC1	REAL300001019686	0	41	0.0	-65.41	345.31	8.97	-56.44
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2(CCC(F)(F)F)CC2)CC1	REAL300001019740	0	46	0.0	-64.16	354.05	8.29	-55.87
O=C([O-])C1(CC(=O)NC2(CCC(F)(F)F)CC2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001019760	0	53	0.0	-57.51	424.09	11.59	-45.92
O=C([O-])C1(CC(=O)NC2(CCC(F)(F)F)CC2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001019760	1	53	0.0	-54.96	421.88	11.78	-43.18
CC(=O)C1=CC=C(C)C(NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)=C1	REAL300001019798	0	48	0.0	-77.47	359.64	9.26	-68.21
CC(=O)C1=CC=C(C)C(NC(=O)CC2(C(=O)[O-])CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300001019818	0	55	0.0	-75.15	424.33	12.40	-62.75
CC(=O)C1=CC=C(C)C(NC(=O)CC2(C(=O)[O-])CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300001019818	1	55	0.0	-66.10	427.09	12.42	-53.68
CC1=NN(C2=CC=CC=C2)N=C1C(C)NC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1	REAL300001019860	0	55	0.0	-66.19	420.87	9.28	-56.91
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2(C3=CC=C(Cl)N=C3)CCC2)CC1	REAL300001019924	0	49	0.0	-63.64	370.97	8.52	-55.12
CC1=CC(O)=C(NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)C=C1Cl	REAL300001020048	0	44	0.0	-60.67	344.67	6.32	-54.35
CC(=O)NC1=C(F)C=CC(NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)=C1F	REAL300001020110	0	47	0.0	-66.03	363.59	6.99	-59.04
COC(=O)C1=C(Cl)C=CC=C1NC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1	REAL300001020176	0	46	0.0	-71.65	370.52	9.21	-62.44
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC(CF)C2=CC=C(F)C=C2F)CC1	REAL300001020246	0	46	0.0	-59.71	362.89	9.67	-50.04
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2=CC=C3NC(=O)C4(CCCCC4)C3=C2)CC1	REAL300001020308	0	58	0.0	-65.14	415.87	9.29	-55.85
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2(C3=CC=CC=C3)CCOC2)CC1	REAL300001020369	0	51	0.0	-62.56	365.44	7.83	-54.73
C[C@H]1CCCC[C@H]1NC(=O)C12CCC1(C(=O)[O-])C[N@H+](CC1=CC=CC=C1)C2	REAL300001020417	0	57	0.0	-74.38	411.81	12.58	-61.80
C[C@H]1CCCC[C@H]1NC(=O)C12CCC1(C(=O)[O-])C[N@@H+](CC1=CC=CC=C1)C2	REAL300001020417	1	57	0.0	-65.71	412.71	11.77	-53.94
C[C@H]1CCCC[C@H]1NC(=O)CC1(C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300001020418	0	56	0.0	-51.73	410.70	12.03	-39.70
C[C@H]1CCCC[C@H]1NC(=O)CC1(C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001020418	1	56	0.0	-54.15	412.28	11.61	-42.54
CC1=CC2=CC=CN=C2C(NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)=C1	REAL300001020501	0	48	0.0	-67.29	360.46	9.17	-58.12
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2CCC2C2=CC=CC=C2Cl)CC1	REAL300001020570	0	50	0.0	-65.20	383.27	10.48	-54.72
CC1=CC(NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)=C(C)C=C1Cl	REAL300001020631	0	46	0.0	-62.28	352.48	9.87	-52.41
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2(C3=CC=C(C(C)(C)C)C=C3)CCC2)CC1	REAL300001020691	0	62	0.0	-63.94	442.82	12.16	-51.78
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2=CC=C(F)C(CO)=C2)CC1	REAL300001020740	0	44	0.0	-63.08	335.39	5.55	-57.53
O=C([O-])C12CCC1(C(=O)NC1=CC=C(F)C(CO)=C1)C[N@@H+](CC1=CC=CC=C1)C2	REAL300001020753	0	52	0.0	-68.70	409.08	8.39	-60.31
O=C([O-])C12CCC1(C(=O)NC1=CC=C(F)C(CO)=C1)C[N@H+](CC1=CC=CC=C1)C2	REAL300001020753	1	52	0.0	-73.90	411.23	9.06	-64.84
O=C([O-])C1(CC(=O)NC2=CC=C(F)C(CO)=C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001020756	0	51	0.0	-57.69	402.84	8.71	-48.98
O=C([O-])C1(CC(=O)NC2=CC=C(F)C(CO)=C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001020756	1	51	0.0	-61.07	404.50	8.45	-52.62
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2(C3CCSCC3)CC2)CC1	REAL300001020795	0	51	0.0	-64.34	367.67	9.38	-54.96
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2=CC=CC=C2OCC2CCCCC2)CC1	REAL300001020854	0	60	0.0	-64.59	433.69	11.64	-52.95
CC(C)C1=CC=C(NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)C(F)=C1	REAL300001020931	0	49	0.0	-62.44	364.75	9.98	-52.46
CC(C)C1=CC=C(NC(=O)CC2(C(=O)[O-])CC[N@H+](CC3=CC=CC=C3)C2)C(F)=C1	REAL300001020951	0	56	0.0	-56.61	431.44	13.20	-43.41
CC(C)C1=CC=C(NC(=O)CC2(C(=O)[O-])CC[N@@H+](CC3=CC=CC=C3)C2)C(F)=C1	REAL300001020951	1	56	0.0	-52.81	431.41	13.19	-39.62
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC2(C(F)(F)F)CC3(CCC3)C2)CC1	REAL300001020993	0	53	0.0	-67.60	391.08	10.10	-57.50
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCCC2CCC3=CC=CC=C3C2)CC1	REAL300001021062	0	56	0.0	-64.66	406.77	11.24	-53.42
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2CCC3C2C3(F)F)CC1	REAL300001021115	0	44	0.0	-70.91	324.46	8.71	-62.20
O=C([O-])C12CCC1(C(=O)NC1CCC3C1C3(F)F)C[N@H+](CC1=CC=CC=C1)C2	REAL300001021125	0	52	0.0	-80.86	403.24	10.79	-70.07
O=C([O-])C12CCC1(C(=O)NC1CCC3C1C3(F)F)C[N@@H+](CC1=CC=CC=C1)C2	REAL300001021125	1	52	0.0	-77.01	404.07	10.62	-66.39
O=C([O-])C1(CC(=O)NC2CCC3C2C3(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001021128	0	51	0.0	-60.44	397.09	12.08	-48.36
O=C([O-])C1(CC(=O)NC2CCC3C2C3(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001021128	1	51	0.0	-61.88	398.82	11.31	-50.57
C[C@@H](NC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300001021170	0	56	0.0	-66.27	417.25	12.43	-53.84
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC2CCCC(F)(F)CC2)CC1	REAL300001021236	0	52	0.0	-63.14	367.49	9.14	-54.00
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	REAL300001021287	0	49	0.0	-68.06	355.50	7.23	-60.83
O=C([O-])C12CCC1(C(=O)NC[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C[N@H+](CC1=CC=CC=C1)C2	REAL300001021299	0	57	0.0	-53.55	423.93	10.98	-42.57
O=C([O-])C12CCC1(C(=O)NC[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C[N@@H+](CC1=CC=CC=C1)C2	REAL300001021299	1	57	0.0	-78.92	429.60	10.01	-68.91
O=C(CC1(C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1)NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	REAL300001021302	0	56	0.0	-59.69	419.21	10.44	-49.25
O=C(CC1(C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1)NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12	REAL300001021302	1	56	0.0	-54.29	423.35	10.28	-44.01
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2CCCC3C2C3(F)F)CC1	REAL300001021336	0	47	0.0	-65.86	344.70	8.55	-57.31
O=C([O-])C1(CC(=O)NC2CCCC3C2C3(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001021355	0	54	0.0	-55.93	413.91	11.73	-44.20
O=C([O-])C1(CC(=O)NC2CCCC3C2C3(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001021355	1	54	0.0	-56.96	409.81	11.75	-45.21
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CC(C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300001067915	0	49	0.0	-56.07	365.95	9.66	-46.41
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=CC=C1N2	REAL300001067952	1	51	0.0	-83.45	407.80	10.83	-72.62
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])=CC=C1N2	REAL300001067952	1	51	0.0	-82.59	407.12	10.83	-71.76
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300001068010	0	49	0.0	-76.19	389.80	9.84	-66.35
O=C([O-])C(CC1=CC=CC=C1)NC(=O)CCCC[NH+]1CCCC1	REAL300001068011	0	49	0.0	-72.51	386.18	10.20	-62.31
CC1=CC=C(N2CCC(C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])CC2)[NH+]=C1	REAL300001068013	1	52	0.0	-72.59	408.88	9.97	-62.62
C[N@H+](CC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300001068014	1	46	0.0	-63.08	371.45	10.49	-52.59
C[N@@H+](CC(=O)NC(CC1=CC=CC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300001068014	1	46	0.0	-62.13	370.63	10.52	-51.61
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=C2)CC1	REAL300001068018	0	58	0.0	-85.15	440.97	10.77	-74.38
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300001068036	1	41	0.0	-78.86	354.15	8.34	-70.52
C[NH+](C)CC1=CC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=NO1	REAL300001068067	1	42	0.0	-80.50	352.73	7.93	-72.57
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300001068071	0	53	0.0	-70.85	415.94	11.83	-59.02
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300001068071	1	53	0.0	-69.99	413.51	11.78	-58.21
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300001068090	0	46	0.0	-56.04	339.53	8.71	-47.33
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300001068090	1	46	0.0	-55.50	340.54	8.59	-46.91
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001068097	0	54	0.0	-83.97	437.10	11.43	-72.54
C[NH+]1CCC(OCC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300001068116	0	47	0.0	-78.56	374.75	8.98	-69.58
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001068122	0	50	0.0	-76.95	399.04	10.53	-66.42
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300001068165	0	52	0.0	-63.28	408.61	10.13	-53.15
CC(C)(C)[N@H+]1C[C@H](C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300001068165	1	52	0.0	-54.13	407.74	10.23	-43.90
CCC[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300001068318	0	49	0.0	-64.93	377.69	9.94	-54.99
CCC[N@H+]1CCCC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300001068318	1	49	0.0	-59.13	372.28	10.13	-49.00
CC(C)C[N@@H+]1CCCC1C(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300001068351	0	49	0.0	-58.54	379.63	10.08	-48.46
CC(C)C[N@H+]1CCCC1C(=O)NC(CC1=CC=CC=C1)C(=O)[O-]	REAL300001068351	1	49	0.0	-59.20	379.38	10.14	-49.06
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300001068352	1	47	0.0	-59.84	368.40	6.15	-53.69
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300001068454	0	54	0.0	-78.09	422.87	12.42	-65.67
O=C([O-])C(CC1=CC=CC=C1)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300001068454	1	54	0.0	-79.23	424.13	12.48	-66.75
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300001068495	1	53	0.0	-66.02	419.63	12.18	-53.84
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300001068495	1	53	0.0	-65.67	418.99	12.15	-53.52
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300001068593	0	49	0.0	-65.21	373.50	9.75	-55.46
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300001068593	1	49	0.0	-65.25	373.46	9.75	-55.50
C[N@@H+]1CC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300001068594	0	43	0.0	-68.77	358.96	8.68	-60.09
C[N@H+]1CC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300001068594	1	43	0.0	-72.15	341.08	8.84	-63.31
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])N1	REAL300001068619	1	44	0.0	-61.54	364.85	8.24	-53.30
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300001069123	0	49	0.0	-78.01	395.20	11.29	-66.72
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001069131	0	50	0.0	-83.79	402.74	10.19	-73.60
O=C([O-])C(CC1=CC=CC=C1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001069232	0	56	0.0	-69.84	434.32	12.90	-56.94
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=C2)CCO1	REAL300001069234	1	54	0.0	-85.01	420.06	10.63	-74.38
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])C=C2)CCO1	REAL300001069234	1	54	0.0	-86.49	420.18	10.62	-75.87
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300001069281	0	49	0.0	-57.71	367.15	9.59	-48.12
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300001069348	0	52	0.0	-67.33	396.29	10.61	-56.72
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300001069348	1	52	0.0	-67.33	396.29	10.61	-56.72
CC[N@@H+]1CCCC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300001069349	0	46	0.0	-66.11	356.19	9.20	-56.91
CC[N@H+]1CCCC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300001069349	1	46	0.0	-66.11	356.19	9.20	-56.91
CN(C)CC1=CC=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300001069355	0	43	0.0	-78.54	358.29	8.62	-69.92
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300001069355	1	43	0.0	-78.54	358.29	8.62	-69.92
C[N@@H+]1CCCC(C(C)(C)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300001069361	0	52	0.0	-76.64	377.16	9.58	-67.06
C[N@H+]1CCCC(C(C)(C)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300001069361	1	52	0.0	-76.64	377.16	9.58	-67.06
O=C([O-])C(CC1=CC=CC=C1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300001069364	0	45	0.0	-68.65	328.91	9.22	-59.43
COC1=CC=C(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300001070539	0	54	0.0	-81.52	423.60	10.90	-70.62
COC1=CC=C(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001071210	0	51	0.0	-70.46	400.36	9.79	-60.67
COC1=CC=C(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001071210	1	51	0.0	-73.03	406.41	10.32	-62.71
COC1=CC=C(CNC(=O)C2CC[NH+](C3CC3)CC2)C=C1C(=O)[O-]	REAL300001072135	0	48	0.0	-79.28	371.96	8.53	-70.75
COC1=CC=C(CNC(=O)C2CCC[N@@H+]2C2CC2)C=C1C(=O)[O-]	REAL300001072162	0	45	0.0	-70.66	360.00	8.18	-62.48
COC1=CC=C(CNC(=O)C2CCC[N@H+]2C2CC2)C=C1C(=O)[O-]	REAL300001072162	1	45	0.0	-71.11	354.96	8.04	-63.07
COC1=CC=C(CNC(=O)C2CCC3=C[NH+]=C(C)N3C2)C=C1C(=O)[O-]	REAL300001072168	1	46	0.0	-71.75	370.14	8.41	-63.34
COC1=CC=C(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001072169	0	54	0.0	-76.94	426.83	10.85	-66.09
COC1=CC=C(CNC(=O)C2CCCC[N@@H+]2C)C=C1C(=O)[O-]	REAL300001072251	0	44	0.0	-74.29	344.44	7.26	-67.03
COC1=CC=C(CNC(=O)C2CCCC[N@H+]2C)C=C1C(=O)[O-]	REAL300001072251	1	44	0.0	-73.05	335.16	7.09	-65.96
COC1=CC=C(CNC(=O)C(C)N2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300001072252	1	49	0.0	-79.40	375.77	5.50	-73.90
COC1=CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C=C1C(=O)[O-]	REAL300001072296	0	44	0.0	-75.27	335.16	7.09	-68.18
COC1=CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C)C=C1C(=O)[O-]	REAL300001072296	1	44	0.0	-74.27	344.47	7.26	-67.01
COC1=CC=C(CNC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300001072354	0	57	0.0	-81.55	436.23	11.32	-70.23
COC1=CC=C(CNC(=O)C2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300001072388	0	44	0.0	-81.98	347.10	7.32	-74.66
COC1=CC=C(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1C(=O)[O-]	REAL300001072414	0	39	0.0	-78.79	332.68	9.15	-69.64
COC1=CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)C=C1C(=O)[O-]	REAL300001072448	0	53	0.0	-68.64	387.16	9.33	-59.31
COC1=CC=C(CNC(=O)CC[N@H+](C)C2CCCCC2)C=C1C(=O)[O-]	REAL300001072453	0	53	0.0	-78.62	400.92	9.25	-69.37
COC1=CC=C(CNC(=O)CC[N@@H+](C)C2CCCCC2)C=C1C(=O)[O-]	REAL300001072453	1	53	0.0	-78.01	400.92	9.26	-68.75
COC1=CC=C(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300001072471	1	51	0.0	-74.04	406.77	9.84	-64.20
COC1=CC=C(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300001072471	1	51	0.0	-73.99	406.72	9.84	-64.15
COC1=CC=C(CNC(=O)C2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300001072525	0	44	0.0	-81.98	347.10	7.32	-74.66
COC1=CC=C(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C1C(=O)[O-]	REAL300001072530	0	47	0.0	-83.51	391.67	8.29	-75.22
COC1=CC=C(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300001072554	0	54	0.0	-71.22	400.46	9.47	-61.75
COC1=CC=C(CNC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300001072554	1	54	0.0	-69.10	400.07	9.48	-59.62
COC1=CC=C(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C1C(=O)[O-]	REAL300001072555	0	55	0.0	-80.40	407.71	7.78	-72.62
COC1=CC=C(CNC(=O)CCCN2C=C[NH+]=C2C)C=C1C(=O)[O-]	REAL300001072588	1	45	0.0	-76.38	373.48	8.57	-67.81
COC1=CC=C(CNC(=O)CCCC[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300001072589	1	51	0.0	-82.59	400.78	7.27	-75.32
CC[N@H+](CC1=CC=C(C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)C=C1)C(C)C	REAL300001072592	0	56	0.0	-83.47	421.82	10.61	-72.86
CC[N@@H+](CC1=CC=C(C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)C=C1)C(C)C	REAL300001072592	1	56	0.0	-84.06	420.80	10.51	-73.55
COC1=CC=C(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001072641	0	51	0.0	-79.30	405.59	10.05	-69.25
COC1=CC=C(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001072641	1	51	0.0	-79.51	407.52	10.17	-69.34
COC1=CC=C(CNC(=O)C2CC[NH+](C3CCSC3)CC2)C=C1C(=O)[O-]	REAL300001072642	0	52	0.0	-86.95	402.33	9.30	-77.65
COC1=CC=C(CNC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300001072669	1	56	0.0	-75.82	435.92	8.96	-66.86
COC1=CC=C(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C1C(=O)[O-]	REAL300001072670	0	55	0.0	-79.13	399.83	7.56	-71.57
CCC(C(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1)[NH+](CC)CC	REAL300001072674	0	49	0.0	-70.29	368.78	8.04	-62.25
COC1=CC=C(CNC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001072676	0	50	0.0	-76.58	397.66	9.66	-66.92
COC1=CC=C(CNC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001072676	1	50	0.0	-73.36	397.40	9.68	-63.68
COC1=CC=C(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001072688	0	57	0.0	-81.88	446.16	11.72	-70.16
COC1=CC=C(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001072688	1	57	0.0	-80.95	446.16	11.72	-69.23
COC1=CC=C(CNC(=O)C2=CC=C(C[NH+](C)C)N=C2)C=C1C(=O)[O-]	REAL300001072710	0	46	0.0	-84.28	376.44	7.69	-76.59
CCC[NH+](CCC)CCCC(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1	REAL300001072719	0	55	0.0	-79.19	420.60	9.60	-69.59
COC1=CC=C(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C=C1C(=O)[O-]	REAL300001072720	1	55	0.0	-70.19	430.42	7.61	-62.58
CC[N@H+](C)C(C(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300001072721	0	50	0.0	-74.10	395.67	9.79	-64.31
CC[N@@H+](C)C(C(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300001072721	1	50	0.0	-74.38	395.03	9.81	-64.57
COC1=CC=C(CNC(=O)C2C[N@H+](C)CCO2)C=C1C(=O)[O-]	REAL300001072723	1	42	0.0	-70.24	332.78	5.97	-64.27
COC1=CC=C(CNC(=O)C2C[N@@H+](C)CCO2)C=C1C(=O)[O-]	REAL300001072723	1	42	0.0	-83.42	332.77	5.96	-77.46
CC[NH+](CC)C(C(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300001072726	0	53	0.0	-68.80	402.72	9.84	-58.96
COC1=CC=C(CNC(=O)CN2C=C[NH+]=C2C(C)C)C=C1C(=O)[O-]	REAL300001072735	1	45	0.0	-72.07	368.16	8.40	-63.67
COC1=CC=C(CNC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C=C1C(=O)[O-]	REAL300001072740	1	47	0.0	-73.71	393.91	9.68	-64.03
COC1=CC=C(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300001072753	0	51	0.0	-84.97	405.47	10.31	-74.66
COC1=CC=C(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=C1C(=O)[O-]	REAL300001072761	0	54	0.0	-81.81	422.23	11.01	-70.80
COC1=CC=C(CNC(=O)C2(C[NH+](C)C)CC2)C=C1C(=O)[O-]	REAL300001072768	0	44	0.0	-82.72	353.17	7.36	-75.36
COC1=CC=C(CNC(=O)CCCC[NH+](C)C)C=C1C(=O)[O-]	REAL300001072778	0	46	0.0	-80.72	367.88	7.81	-72.91
COC1=CC=C(CNC(=O)C(C(C)C)[NH+](C)C)C=C1C(=O)[O-]	REAL300001072787	0	46	0.0	-76.12	350.31	7.38	-68.74
COC1=CC=C(CNC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1C(=O)[O-]	REAL300001072789	1	55	0.0	-86.51	430.07	10.15	-76.36
COC1=CC=C(CNC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1C(=O)[O-]	REAL300001072789	1	55	0.0	-86.89	430.13	10.16	-76.73
COC1=CC=C(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001072801	0	54	0.0	-74.14	421.17	10.83	-63.31
COC1=CC=C(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001072801	1	54	0.0	-71.83	411.71	10.66	-61.17
COC1=CC=C(CNC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C=C1C(=O)[O-]	REAL300001072803	1	45	0.0	-87.56	378.27	7.56	-80.00
COC1=CC=C(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300001072811	0	54	0.0	-85.03	422.22	11.02	-74.01
COC1=CC=C(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1C(=O)[O-]	REAL300001072825	1	47	0.0	-85.31	385.92	7.76	-77.55
COC1=CC=C(CNC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300001072826	0	50	0.0	-87.75	403.15	10.00	-77.75
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1	REAL300001072838	1	43	0.0	-69.24	351.82	6.72	-62.52
COC1=CC=C(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1C(=O)[O-]	REAL300001072840	1	52	0.0	-73.42	409.48	9.53	-63.89
COC1=CC=C(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1C(=O)[O-]	REAL300001072840	1	52	0.0	-79.21	416.65	9.69	-69.52
COC1=CC=C(CNC(=O)C[N@H+](C)C2CCC2)C=C1C(=O)[O-]	REAL300001072871	0	44	0.0	-73.46	348.63	7.65	-65.81
COC1=CC=C(CNC(=O)C[N@@H+](C)C2CCC2)C=C1C(=O)[O-]	REAL300001072871	1	44	0.0	-73.78	348.73	7.65	-66.13
COC1=CC=C(CNC(=O)C(C)[NH+]2CCSCC2)C=C1C(=O)[O-]	REAL300001072897	1	45	0.0	-75.17	357.89	7.51	-67.66
COC1=CC=C(CNC(=O)C[N@H+](C)CC(C)(C)C)C=C1C(=O)[O-]	REAL300001072903	0	49	0.0	-75.19	372.14	8.17	-67.02
COC1=CC=C(CNC(=O)C[N@@H+](C)CC(C)(C)C)C=C1C(=O)[O-]	REAL300001072903	1	49	0.0	-75.43	370.35	8.08	-67.35
COC1=CC=C(CNC(=O)C[N@H+](C)CCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001072905	0	50	0.0	-79.49	401.65	10.11	-69.38
COC1=CC=C(CNC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001072905	1	50	0.0	-79.72	401.65	10.10	-69.62
COCCOCC[N@H+](C)CCC(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1	REAL300001072906	0	54	0.0	-78.42	430.64	6.30	-72.12
COCCOCC[N@@H+](C)CCC(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1	REAL300001072906	1	54	0.0	-80.34	430.70	6.30	-74.04
COC1=CC=C(CNC(=O)CC2(O)CCC[N@H+](C)C2)C=C1C(=O)[O-]	REAL300001072911	0	48	0.0	-76.24	372.82	6.02	-70.22
COC1=CC=C(CNC(=O)CC2(O)CCC[N@@H+](C)C2)C=C1C(=O)[O-]	REAL300001072911	1	48	0.0	-76.59	363.13	5.83	-70.76
COC1=CC=C(CNC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C=C1C(=O)[O-]	REAL300001072932	1	53	0.0	-78.78	416.20	9.07	-69.71
COC1=CC=C(CNC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C=C1C(=O)[O-]	REAL300001072932	1	53	0.0	-74.27	416.15	9.06	-65.21
COC1=CC=C(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300001072933	1	53	0.0	-72.24	416.05	8.97	-63.27
COC1=CC=C(CNC(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300001072933	1	53	0.0	-74.53	406.65	8.90	-65.63
CCCCCC[N@H+](C)CC(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1	REAL300001072935	0	52	0.0	-76.79	406.24	9.42	-67.37
CCCCCC[N@@H+](C)CC(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1	REAL300001072935	1	52	0.0	-76.62	406.24	9.42	-67.20
COC1=CC=C(CNC(=O)C23CCC[NH+]2CCC3)C=C1C(=O)[O-]	REAL300001072945	0	45	0.0	-75.08	347.17	7.66	-67.42
COC1=CC=C(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C1C(=O)[O-]	REAL300001072953	1	39	0.0	-81.91	332.95	9.18	-72.73
COC1=CC=C(CNC(=O)C[N@H+](C)C2CCSC2)C=C1C(=O)[O-]	REAL300001072969	0	45	0.0	-80.03	361.80	7.91	-72.12
COC1=CC=C(CNC(=O)C[N@@H+](C)C2CCSC2)C=C1C(=O)[O-]	REAL300001072969	1	45	0.0	-81.64	362.00	7.90	-73.74
COC1=CC=C(CNC(=O)CCN2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300001072986	0	55	0.0	-78.60	417.87	6.85	-71.75
COC1=CC=C(CNC(=O)CC[NH+]2CCN(C(C)C)CC2)C=C1C(=O)[O-]	REAL300001072986	1	55	0.0	-78.42	414.68	6.68	-71.74
COC1=CC=C(CNC(=O)CCCN2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300001072987	0	58	0.0	-77.03	439.36	7.65	-69.38
COC1=CC=C(CNC(=O)CCC[NH+]2CCN(C(C)C)CC2)C=C1C(=O)[O-]	REAL300001072987	1	58	0.0	-79.32	435.68	7.44	-71.88
COC1=CC=C(CNC(=O)C2CCCC3CCC[N@@H+]32)C=C1C(=O)[O-]	REAL300001072988	0	48	0.0	-68.77	366.92	8.50	-60.27
COC1=CC=C(CNC(=O)C2CCCC3CCC[N@H+]32)C=C1C(=O)[O-]	REAL300001072988	1	48	0.0	-72.76	359.21	8.23	-64.53
COC1=CC=C(CNC(=O)C2=CN(CC[NH+](C)C)N=C2)C=C1C(=O)[O-]	REAL300001072990	0	47	0.0	-87.74	386.83	7.17	-80.57
COC1=CC=C(CNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300001072999	0	56	0.0	-82.55	435.31	9.01	-73.54
COC1=CC=C(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C=C1C(=O)[O-]	REAL300001073002	0	53	0.0	-82.06	418.51	9.09	-72.97
COC1=CC=C(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C=C1C(=O)[O-]	REAL300001073002	1	53	0.0	-77.98	412.23	9.20	-68.78
COC1=CC=C(CNC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300001073007	1	51	0.0	-76.38	400.86	10.04	-66.34
COC1=CC=C(CNC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300001073007	1	51	0.0	-75.47	397.56	10.24	-65.23
CCC(CC)C(C(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1)[NH+]1CCOCC1	REAL300001073024	1	57	0.0	-74.40	411.02	8.44	-65.96
CCCC(C(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1)[NH+](C)C	REAL300001073028	0	46	0.0	-77.36	357.77	8.05	-69.31
COC1=CC=C(CNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001073030	0	54	0.0	-81.69	425.41	10.82	-70.87
COC1=CC=C(CNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001073030	1	54	0.0	-83.05	428.09	10.88	-72.17
COC1=CC=C(CNC(=O)C2=NN(CC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300001073045	0	47	0.0	-88.41	387.20	7.17	-81.24
COC1=CC=C(CNC(=O)C2=CC=NN2CC[NH+](C)C)C=C1C(=O)[O-]	REAL300001073046	0	47	0.0	-75.23	382.28	7.13	-68.10
COC1=CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C=C1C(=O)[O-]	REAL300001073052	0	44	0.0	-77.20	339.14	6.64	-70.56
COC1=CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C=C1C(=O)[O-]	REAL300001073052	1	44	0.0	-80.31	345.36	6.92	-73.39
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1	REAL300001073054	1	48	0.0	-72.46	388.47	8.88	-63.58
CC[C@@H]1[C@@H](C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)CC[N@@H+]1C	REAL300001073057	0	47	0.0	-76.36	359.22	7.39	-68.97
CC[C@@H]1[C@@H](C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)CC[N@H+]1C	REAL300001073057	1	47	0.0	-79.23	364.40	7.71	-71.52
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1	REAL300001073061	1	43	0.0	-70.57	349.15	7.44	-63.13
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1	REAL300001073061	1	43	0.0	-73.11	355.06	7.97	-65.14
COC1=CC=C(CNC(=O)C2C[N@H+](C)CC(C)O2)C=C1C(=O)[O-]	REAL300001073069	1	45	0.0	-79.28	354.38	6.83	-72.45
COC1=CC=C(CNC(=O)C2C[N@@H+](C)CC(C)O2)C=C1C(=O)[O-]	REAL300001073069	1	45	0.0	-85.83	354.35	6.83	-79.00
COC1=CC=C(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300001073075	1	50	0.0	-75.17	397.10	8.17	-67.00
COC1=CC=C(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300001073075	1	50	0.0	-72.57	396.07	7.96	-64.61
COC1=CC=C(CNC(=O)CN2C=C[NH+]=C2C)C=C1C(=O)[O-]	REAL300001073079	1	39	0.0	-73.87	331.94	7.28	-66.59
COC1=CC=C(CNC(=O)C(C)C[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300001073081	0	48	0.0	-78.95	373.82	6.39	-72.56
COC1=CC=C(CNC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C=C1C(=O)[O-]	REAL300001073082	0	55	0.0	-82.74	433.07	8.42	-74.32
COC1=CC=C(CNC(=O)C[NH+]2CCC(C)CC2)C=C1C(=O)[O-]	REAL300001073097	0	47	0.0	-75.32	365.47	8.16	-67.16
CC[N@@H+]1CCOC(C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)C1	REAL300001073111	1	45	0.0	-84.34	357.70	6.77	-77.57
CC[N@H+]1CCOC(C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)C1	REAL300001073111	1	45	0.0	-78.43	357.67	6.77	-71.66
COC1=CC=C(CNC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)C=C1C(=O)[O-]	REAL300001073150	1	54	0.0	-87.39	420.05	9.10	-78.29
COC1=CC=C(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C1C(=O)[O-]	REAL300001073151	0	54	0.0	-77.78	408.38	9.63	-68.15
COC1=CC=C(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)C=C1C(=O)[O-]	REAL300001073151	1	54	0.0	-74.10	408.04	9.61	-64.49
COC1=CC=C(CNC(=O)CCC2CCC[N@@H+]2C)C=C1C(=O)[O-]	REAL300001073158	0	47	0.0	-78.16	364.46	7.70	-70.46
COC1=CC=C(CNC(=O)CCC2CCC[N@H+]2C)C=C1C(=O)[O-]	REAL300001073158	1	47	0.0	-80.13	369.90	8.17	-71.96
COC1=CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)C=C1C(=O)[O-]	REAL300001073171	0	48	0.0	-78.89	359.90	7.87	-71.02
COC1=CC=C(CNC(=O)C2(C)CC(O)C[N@@H+]2C)C=C1C(=O)[O-]	REAL300001073173	0	45	0.0	-75.54	350.68	3.75	-71.79
COC1=CC=C(CNC(=O)C2(C)CC(O)C[N@H+]2C)C=C1C(=O)[O-]	REAL300001073173	1	45	0.0	-72.59	350.88	3.76	-68.83
COC1=CC=C(CNC(=O)C2CCC3CCCC[N@@H+]32)C=C1C(=O)[O-]	REAL300001073174	0	48	0.0	-70.33	370.39	8.63	-61.70
COC1=CC=C(CNC(=O)C2CCC3CCCC[N@H+]32)C=C1C(=O)[O-]	REAL300001073174	1	48	0.0	-70.42	370.36	8.61	-61.81
COC1=CC=C(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300001073181	0	51	0.0	-78.02	383.32	6.75	-71.27
COC1=CC=C(CNC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300001073186	0	54	0.0	-82.91	426.52	8.48	-74.43
COC1=CC=C(CNC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300001073186	1	54	0.0	-83.70	418.93	8.04	-75.66
COC1=CC=C(CNC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C=C1C(=O)[O-]	REAL300001073190	0	56	0.0	-84.85	439.29	8.58	-76.27
COC1=CC=C(CNC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C=C1C(=O)[O-]	REAL300001073191	0	56	0.0	-84.95	439.27	8.59	-76.36
COC1=CC=C(CNC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C=C1C(=O)[O-]	REAL300001073191	1	56	0.0	-85.84	438.75	8.46	-77.38
COC1=CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300001073200	0	50	0.0	-79.23	377.76	8.28	-70.95
COC1=CC=C(CNC(=O)C23CC[NH+](CC2)C3)C=C1C(=O)[O-]	REAL300001073282	0	42	0.0	-78.63	334.14	6.18	-72.45
COC1=CC=C(CNC(=O)C23CC[N@H+](C2)CCC3)C=C1C(=O)[O-]	REAL300001073292	0	45	0.0	-77.57	344.36	6.91	-70.66
COC1=CC=C(CNC(=O)C23CC[N@@H+](C2)CCC3)C=C1C(=O)[O-]	REAL300001073292	1	45	0.0	-77.53	344.16	6.88	-70.65
COC1=CC=C(CNC(=O)C[NH+]2C(C)CCC2C)C=C1C(=O)[O-]	REAL300001073341	0	47	0.0	-71.76	359.65	7.69	-64.07
COC1=CC=C(CNC(=O)C2=CC=CC(C[NH+](C)C)=C2)C=C1C(=O)[O-]	REAL300001073342	0	47	0.0	-83.38	380.67	9.15	-74.23
COC1=CC=C(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001073343	0	54	0.0	-75.70	417.38	11.06	-64.64
COC1=CC=C(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001073343	1	54	0.0	-74.58	417.34	11.06	-63.52
COC1=CC=C(CNC(=O)C2([NH+](C)C)CCC2)C=C1C(=O)[O-]	REAL300001073383	0	44	0.0	-70.96	336.70	6.83	-64.13
C#CC[NH+]1CCC(C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)CC1	REAL300001073417	0	46	0.0	-82.18	371.80	8.48	-73.70
CCC[N@@H+]1CCCCC1C(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1	REAL300001073419	0	50	0.0	-71.99	374.36	8.49	-63.50
CCC[N@H+]1CCCCC1C(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1	REAL300001073419	1	50	0.0	-73.00	383.80	8.65	-64.35
COC1=CC=C(CNC(=O)C2=CC=CC=C2C[NH+](C)C)C=C1C(=O)[O-]	REAL300001073420	0	47	0.0	-72.25	373.40	9.38	-62.87
CC[NH+]1CCN(CCC(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)CC1	REAL300001073422	0	52	0.0	-80.20	400.62	6.29	-73.91
CCN1CC[NH+](CCC(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)CC1	REAL300001073422	1	52	0.0	-78.20	401.12	6.32	-71.88
COC1=CC=C(CNC(=O)C(C(C)C)[NH+]2CCCCC2)C=C1C(=O)[O-]	REAL300001073424	0	53	0.0	-68.99	391.81	9.77	-59.22
COC1=CC=C(CNC(=O)C(C2=CC=CC=C2)[NH+](C)C)C=C1C(=O)[O-]	REAL300001073425	1	47	0.0	-76.02	377.24	9.16	-66.86
COC1=CC=C(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001073429	0	52	0.0	-75.72	416.33	7.14	-68.58
COC1=CC=C(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001073429	1	52	0.0	-77.68	415.74	7.08	-70.60
COC1=CC=C(CNC(=O)CCN2C=C[NH+]=C2C(C)C)C=C1C(=O)[O-]	REAL300001073435	1	48	0.0	-71.57	387.92	8.83	-62.74
COC1=CC=C(CNC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300001073436	0	50	0.0	-77.47	407.79	9.50	-67.97
COC1=CC=C(CNC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300001073441	0	51	0.0	-71.97	378.47	9.01	-62.96
COC1=CC=C(CNC(=O)C2CCC[N@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300001073441	1	51	0.0	-71.76	388.45	9.05	-62.71
CC[N@H+](CC(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1)C1CC1	REAL300001073443	0	44	0.0	-71.86	347.76	7.47	-64.39
CC[N@@H+](CC(=O)NCC1=CC=C(OC)C(C(=O)[O-])=C1)C1CC1	REAL300001073443	1	44	0.0	-73.21	348.89	7.69	-65.52
COC1=CC=C(CNC(=O)C(C(C)C)[NH+]2CC(C)OC(C)C2)C=C1C(=O)[O-]	REAL300001073472	1	57	0.0	-71.41	425.04	8.86	-62.55
COC1=CC=C(CNC(=O)C(C)[NH+]2CCCCCC2)C=C1C(=O)[O-]	REAL300001073473	0	50	0.0	-70.84	373.61	8.45	-62.39
COC1=CC=C(CNC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C=C1C(=O)[O-]	REAL300001073515	1	52	0.0	-87.77	415.46	9.59	-78.18
COC1=CC=C(CNC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C=C1C(=O)[O-]	REAL300001073515	1	52	0.0	-87.31	415.67	9.56	-77.75
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)O1	REAL300001073566	0	50	0.0	-81.73	398.34	8.57	-73.16
COC1=CC=C(CNC(=O)CCCC[NH+]2CCCC2)C=C1C(=O)[O-]	REAL300001073567	0	50	0.0	-79.30	393.84	8.99	-70.31
COC1=CC=C(CNC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)C=C1C(=O)[O-]	REAL300001073569	1	53	0.0	-76.29	416.55	8.74	-67.55
COC1=CC=C(CNC(=O)C[N@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001073570	1	47	0.0	-79.00	379.22	9.26	-69.74
COC1=CC=C(CNC(=O)C[N@@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001073570	1	47	0.0	-78.99	379.17	9.26	-69.73
COC1=CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)C=C1C(=O)[O-]	REAL300001073581	0	46	0.0	-72.39	351.69	7.89	-64.50
COC1=CC=C(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C=C1C(=O)[O-]	REAL300001073599	1	42	0.0	-86.35	361.81	7.11	-79.24
COC1=CC=C(CNC(=O)C2=NOC(C[NH+](C)C)=C2)C=C1C(=O)[O-]	REAL300001073629	1	43	0.0	-86.64	360.59	6.64	-80.00
COC1=CC=C(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C=C1C(=O)[O-]	REAL300001073633	0	54	0.0	-80.38	424.72	10.76	-69.62
COC1=CC=C(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C=C1C(=O)[O-]	REAL300001073633	1	54	0.0	-81.67	427.21	10.64	-71.03
COC1=CC=C(CNC(=O)C2CCC[N@@H+]2C(C)C)C=C1C(=O)[O-]	REAL300001073649	0	47	0.0	-71.44	361.31	7.78	-63.66
COC1=CC=C(CNC(=O)C2CCC[N@H+]2C(C)C)C=C1C(=O)[O-]	REAL300001073649	1	47	0.0	-70.12	355.31	7.95	-62.17
COC1=CC=C(CNC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300001073657	0	55	0.0	-85.64	445.01	10.13	-75.51
COC1=CC=C(CNC(=O)COC2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300001073676	0	48	0.0	-84.65	382.47	7.76	-76.89
COC1=CC=C(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1C(=O)[O-]	REAL300001073681	0	51	0.0	-81.83	407.60	9.25	-72.58
CCC[N@@H+]1CCCC(C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)C1	REAL300001073879	0	50	0.0	-70.50	380.00	8.89	-61.61
CCC[N@H+]1CCCC(C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)C1	REAL300001073879	1	50	0.0	-77.02	386.24	8.68	-68.34
COC1=CC=C(CNC(=O)C2CCC[N@@H+]2CC(C)C)C=C1C(=O)[O-]	REAL300001073912	0	50	0.0	-72.29	376.47	8.93	-63.36
COC1=CC=C(CNC(=O)C2CCC[N@H+]2CC(C)C)C=C1C(=O)[O-]	REAL300001073912	1	50	0.0	-72.70	387.16	8.89	-63.81
COC1=CC=C(CNC(=O)C[NH+]2CCC(CO)CC2)C=C1C(=O)[O-]	REAL300001073913	0	48	0.0	-76.61	376.30	4.85	-71.76
COC1=CC=C(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C1C(=O)[O-]	REAL300001074021	0	55	0.0	-83.79	431.42	11.17	-72.62
COC1=CC=C(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C1C(=O)[O-]	REAL300001074021	1	55	0.0	-78.46	433.72	11.13	-67.33
COC1=CC=C(CNC(=O)C2CCC[N@@H+](C(C)C)C2)C=C1C(=O)[O-]	REAL300001074155	0	50	0.0	-69.32	375.15	8.66	-60.66
COC1=CC=C(CNC(=O)C2CCC[N@H+](C(C)C)C2)C=C1C(=O)[O-]	REAL300001074155	1	50	0.0	-72.05	375.14	8.66	-63.39
COC1=CC=C(CNC(=O)C2C[N@H+](C)CC2C(F)(F)F)C=C1C(=O)[O-]	REAL300001074156	0	44	0.0	-81.44	358.79	7.50	-73.94
COC1=CC=C(CNC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C=C1C(=O)[O-]	REAL300001074156	1	44	0.0	-88.83	366.46	7.42	-81.41
COC1=CC=C(CNC(=O)CCC2=[NH+]C(C)=C(C)N2)C=C1C(=O)[O-]	REAL300001074181	1	45	0.0	-72.56	372.75	6.96	-65.60
COC1=CC=C(CNC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C=C1C(=O)[O-]	REAL300001074688	0	50	0.0	-84.96	403.16	10.00	-74.96
COC1=CC=C(CNC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300001074695	0	51	0.0	-84.79	410.45	8.94	-75.85
COC1=CC=C(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300001074793	0	57	0.0	-80.23	442.22	11.61	-68.62
COC1=CC=C(CNC(=O)C2=CC=C(CN3CCOC(C)C3)C=C2)C=C1C(=O)[O-]	REAL300001074795	0	55	0.0	-87.26	428.02	9.33	-77.93
COC1=CC=C(CNC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C=C1C(=O)[O-]	REAL300001074795	1	55	0.0	-87.47	428.01	9.33	-78.14
COC1=CC=C(CNC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C=C1C(=O)[O-]	REAL300001074795	1	55	0.0	-87.47	428.01	9.33	-78.14
COC1=CC=C(CNC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C=C1C(=O)[O-]	REAL300001074840	0	44	0.0	-75.65	352.06	7.40	-68.25
COC1=CC=C(CNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C=C1C(=O)[O-]	REAL300001074844	0	50	0.0	-79.89	374.80	8.35	-71.54
COC1=CC=C(CNC(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C=C1C(=O)[O-]	REAL300001074848	0	42	0.0	-74.73	354.10	8.93	-65.80
COC1=CC=C(CNC(=O)C2CCC[N@H+](CC(C)C)C2)C=C1C(=O)[O-]	REAL300001074915	0	53	0.0	-76.07	403.66	9.38	-66.69
COC1=CC=C(CNC(=O)C2CCC[N@@H+](CC(C)C)C2)C=C1C(=O)[O-]	REAL300001074915	1	53	0.0	-75.74	403.67	9.36	-66.38
CC[N@@H+]1CCCC(C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)C1	REAL300001074916	0	47	0.0	-75.70	364.76	7.94	-67.76
CC[N@H+]1CCCC(C(=O)NCC2=CC=C(OC)C(C(=O)[O-])=C2)C1	REAL300001074916	1	47	0.0	-76.49	364.74	7.94	-68.55
COC1=CC=C(CNC(=O)C2CCC[N@H+](C)C2)C=C1C(=O)[O-]	REAL300001074920	0	44	0.0	-77.36	347.07	7.28	-70.08
COC1=CC=C(CNC(=O)C2CCC[N@@H+](C)C2)C=C1C(=O)[O-]	REAL300001074920	1	44	0.0	-77.37	347.09	7.29	-70.08
COC1=CC=C(CNC(=O)C2=CC=C(C[NH+](C)C)O2)C=C1C(=O)[O-]	REAL300001074922	1	44	0.0	-83.50	366.01	7.38	-76.12
COC1=CC=C(CNC(=O)C(C)(C)C2CCC[N@H+](C)C2)C=C1C(=O)[O-]	REAL300001074928	0	53	0.0	-80.72	392.51	8.79	-71.93
COC1=CC=C(CNC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C=C1C(=O)[O-]	REAL300001074928	1	53	0.0	-81.09	392.50	8.77	-72.32
COC1=CC=C(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1C(=O)[O-]	REAL300001074931	1	46	0.0	-70.53	360.55	8.99	-61.54
O=C([O-])CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300001076014	0	53	0.0	-79.52	408.44	11.54	-67.98
O=C([O-])CC(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=CC=C1	REAL300001077350	0	47	0.0	-61.77	363.38	9.85	-51.92
CC1=[NH+]C=C2CCC(C(=O)NC(CC(=O)[O-])C3=CC=CC=C3)CN21	REAL300001077378	1	45	0.0	-65.92	354.52	9.03	-56.89
CC1=NC(C[NH+]2CCC(C(=O)NC(CC(=O)[O-])C3=CC=CC=C3)CC2)=CS1	REAL300001077444	1	52	0.0	-68.41	422.22	10.11	-58.30
CC(C(=O)NC(CC(=O)[O-])C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300001077445	1	48	0.0	-71.19	357.83	6.12	-65.07
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300001077517	0	56	0.0	-79.34	440.76	11.07	-68.27
O=C([O-])CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=CC=C1	REAL300001077574	0	38	0.0	-64.09	324.24	10.66	-53.43
C[NH+](C)CC1(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)CCCCC1	REAL300001077600	0	52	0.0	-46.67	367.33	10.88	-35.79
C[N@H+](CCC(=O)NC(CC(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300001077604	0	52	0.0	-72.51	385.55	9.89	-62.62
C[N@@H+](CCC(=O)NC(CC(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300001077604	1	52	0.0	-58.39	392.47	10.72	-47.67
O=C([O-])CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=CC=C1	REAL300001077664	0	46	0.0	-75.08	382.59	9.62	-65.46
O=C([O-])CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=CC=CC=C1	REAL300001077680	0	54	0.0	-50.57	398.46	9.23	-41.34
CC1=[NH+]C=CN1CCCC(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300001077707	1	44	0.0	-70.03	358.13	9.23	-60.80
O=C([O-])CC(NC(=O)CCCC[NH+]1CCOCC1)C1=CC=CC=C1	REAL300001077708	1	50	0.0	-77.57	385.43	7.91	-69.66
CC[N@H+](CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300001077709	0	55	0.0	-74.02	412.83	12.04	-61.98
CC[N@@H+](CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300001077709	1	55	0.0	-71.51	411.72	11.73	-59.78
O=C([O-])CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300001077728	0	50	0.0	-71.63	390.26	10.69	-60.94
O=C([O-])CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300001077728	1	50	0.0	-62.25	397.73	11.40	-50.85
O=C([O-])CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=CC=CC=C1	REAL300001077729	0	51	0.0	-67.23	393.49	10.75	-56.48
O=C([O-])CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=CC=CC=C1	REAL300001077757	0	54	0.0	-59.76	390.62	9.00	-50.76
CCC(C(=O)NC(CC(=O)[O-])C1=CC=CC=C1)[NH+](CC)CC	REAL300001077761	0	48	0.0	-59.58	351.08	8.70	-50.88
CC(C(=O)NC(CC(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001077763	0	49	0.0	-56.55	388.92	11.12	-45.43
CC(C(=O)NC(CC(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001077763	1	49	0.0	-51.87	388.81	11.11	-40.76
O=C([O-])CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300001077771	0	56	0.0	-64.90	424.26	12.56	-52.34
O=C([O-])CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300001077771	1	56	0.0	-65.08	438.11	13.09	-51.99
C[NH+](C)CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=N1	REAL300001077785	0	45	0.0	-69.84	368.02	8.77	-61.07
CCC[NH+](CCC)CCCC(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300001077793	0	54	0.0	-72.43	408.57	10.50	-61.93
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300001077801	1	44	0.0	-52.46	350.48	10.08	-42.38
O=C([O-])CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=CC=CC=C1	REAL300001077816	0	50	0.0	-75.49	396.90	11.77	-63.72
O=C([O-])CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=CC=CC=C1	REAL300001077821	0	53	0.0	-68.45	413.79	12.47	-55.98
CCN1CCC([NH+]2CCC(C(=O)NC(CC(=O)[O-])C3=CC=CC=C3)CC2)CC1	REAL300001077826	0	61	0.0	-75.68	438.28	9.03	-66.65
CC1C[NH+](CC2=CC=C(C(=O)NC(CC(=O)[O-])C3=CC=CC=C3)C=C2)CC(C)O1	REAL300001077832	1	57	0.0	-78.26	446.96	11.51	-66.75
O=C([O-])CC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1=CC=CC=C1	REAL300001077843	1	54	0.0	-83.89	414.61	10.79	-73.10
O=C([O-])CC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=CC=CC=C1	REAL300001077843	1	54	0.0	-71.96	421.70	11.47	-60.49
CC1=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=NN1C1=CC=[NH+]C=C1	REAL300001077859	1	44	0.0	-75.62	369.59	9.03	-66.59
O=C([O-])CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=CC=C1	REAL300001077862	0	53	0.0	-75.85	413.65	12.48	-63.37
O=C([O-])CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=CC=CC=C1	REAL300001077873	1	46	0.0	-78.13	370.55	8.41	-69.72
C[NH+](C)CCC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300001077874	0	49	0.0	-79.43	394.57	11.47	-67.96
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300001077880	1	42	0.0	-51.96	343.34	8.20	-43.76
O=C([O-])CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1=CC=CC=C1	REAL300001077881	1	51	0.0	-76.25	393.76	10.16	-66.09
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O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300001099687	1	49	0.0	-74.33	356.75	8.69	-65.64
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300001099687	1	49	0.0	-74.46	357.39	8.72	-65.74
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300001099688	1	49	0.0	-68.67	364.82	8.96	-59.71
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300001099688	1	49	0.0	-72.28	357.08	8.69	-63.59
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300001099715	0	51	0.0	-75.37	367.50	6.85	-68.52
CC(C)N1CC[NH+](CCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300001099715	1	51	0.0	-76.20	364.71	6.69	-69.51
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300001099716	0	54	0.0	-73.79	389.69	7.70	-66.09
CC(C)N1CC[NH+](CCCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300001099716	1	54	0.0	-77.24	386.53	7.52	-69.72
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300001099721	0	55	0.0	-80.33	406.56	9.68	-70.65
O=C([O-])C1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300001099722	0	52	0.0	-80.46	385.67	9.06	-71.40
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300001099724	0	49	0.0	-60.69	366.78	8.92	-51.77
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300001099724	1	49	0.0	-59.40	368.20	8.92	-50.48
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001099728	0	47	0.0	-71.08	347.10	9.95	-61.13
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001099728	1	47	0.0	-71.53	346.99	9.97	-61.56
CCC(CC)C(C(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300001099740	1	53	0.0	-64.54	356.91	7.85	-56.69
O=C([O-])C1CCCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001099753	0	50	0.0	-81.72	378.16	10.96	-70.76
O=C([O-])C1CCCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001099753	1	50	0.0	-81.08	377.65	10.94	-70.14
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=NN1	REAL300001099768	1	44	0.0	-82.13	335.02	7.01	-75.12
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=NN1	REAL300001099768	1	44	0.0	-79.53	328.42	6.45	-73.08
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300001099777	0	50	0.0	-78.14	379.59	10.80	-67.34
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300001099777	1	50	0.0	-59.20	379.73	10.84	-48.36
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300001099778	1	46	0.0	-66.61	346.16	8.17	-58.44
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300001099778	1	46	0.0	-66.14	345.22	7.93	-58.21
O=C([O-])C1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300001099780	0	51	0.0	-80.40	382.89	8.43	-71.97
O=C([O-])C1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300001099825	0	55	0.0	-77.26	401.43	9.57	-67.69
O=C([O-])C1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300001099825	1	55	0.0	-82.34	401.87	9.48	-72.86
CC(C)[N@@H+]1CCC(C(=O)N2CCCC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300001099831	0	56	0.0	-83.90	413.27	9.63	-74.27
CC(C)[N@H+]1CCC(C(=O)N2CCCC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300001099831	1	56	0.0	-77.61	397.79	9.36	-68.25
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300001099832	0	50	0.0	-87.61	379.48	8.44	-79.17
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300001099832	1	50	0.0	-81.95	363.99	8.14	-73.81
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(C(=O)[O-])C3)=C2)CC1	REAL300001099837	0	52	0.0	-79.78	389.38	8.25	-71.53
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300001099838	0	52	0.0	-81.44	388.52	8.24	-73.20
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300001099838	1	52	0.0	-86.46	388.76	8.13	-78.33
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001099910	0	50	0.0	-79.25	373.71	10.79	-68.46
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001099910	1	50	0.0	-54.90	364.17	10.81	-44.09
O=C([O-])C1CCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001099961	0	48	0.0	-54.39	361.07	7.09	-47.30
O=C([O-])C1CCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001099961	1	48	0.0	-71.49	359.42	7.12	-64.37
C[NH+](C)CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300001099965	0	46	0.0	-62.36	355.14	9.44	-52.92
CC[NH+](CC)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001099967	0	52	0.0	-68.48	388.65	10.97	-57.51
O=C([O-])C1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300001099990	1	48	0.0	-64.27	361.92	10.44	-53.83
CC(C)C(C(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300001099991	1	53	0.0	-68.37	360.91	7.72	-60.65
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C(=O)[O-])C3)=CC=C1N2	REAL300001100012	1	48	0.0	-81.30	365.84	9.22	-72.08
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C(=O)[O-])C3)=CC=C1N2	REAL300001100012	1	48	0.0	-71.80	362.85	9.14	-62.66
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300001100062	0	46	0.0	-52.94	349.35	8.77	-44.17
CC1=CC=C(N2CCC(C(=O)N3CCCC(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300001100064	1	49	0.0	-54.01	366.24	8.66	-45.35
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300001100067	0	55	0.0	-82.77	398.74	9.20	-73.57
O=C([O-])C1CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300001100076	1	38	0.0	-79.91	310.05	6.79	-73.12
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001100106	0	50	0.0	-75.92	369.05	10.71	-65.21
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001100106	1	50	0.0	-75.05	372.04	10.73	-64.32
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300001100122	0	51	0.0	-83.15	393.46	10.14	-73.01
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300001100138	0	47	0.0	-54.60	354.64	9.18	-45.42
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300001100163	0	49	0.0	-77.65	362.82	8.67	-68.98
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300001100163	1	49	0.0	-71.67	361.73	8.63	-63.04
O=C([O-])C1CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300001100349	0	51	0.0	-79.16	376.37	10.81	-68.35
O=C([O-])C1CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300001100349	1	51	0.0	-84.62	379.23	10.83	-73.79
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300001100374	1	50	0.0	-73.65	376.33	10.88	-62.77
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300001100374	1	50	0.0	-71.02	368.79	10.52	-60.50
C[N@@H+]1CC(C(=O)N2CCCC(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300001100433	0	40	0.0	-82.23	312.26	7.19	-75.04
C[N@H+]1CC(C(=O)N2CCCC(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300001100433	1	40	0.0	-85.92	301.42	7.37	-78.55
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300001100783	0	46	0.0	-79.75	351.62	9.61	-70.14
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300001100787	0	47	0.0	-84.51	358.76	8.58	-75.93
O=C([O-])C1CCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300001100852	0	53	0.0	-73.66	392.63	11.67	-61.99
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CCO1	REAL300001100854	1	51	0.0	-86.01	378.12	9.01	-77.00
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CCO1	REAL300001100854	1	51	0.0	-87.89	378.58	9.02	-78.87
O=C([O-])C1(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCCCC1	REAL300001101984	0	53	0.0	-82.04	387.10	11.52	-70.52
CC1=[NH+]C=C2CCC(C(=O)NC3(C(=O)[O-])CCCCC3)CN21	REAL300001103272	1	45	0.0	-64.69	333.59	9.02	-55.67
CC1=NC(C[NH+]2CCC(C(=O)NC3(C(=O)[O-])CCCCC3)CC2)=CS1	REAL300001103324	1	52	0.0	-77.90	394.05	9.22	-68.68
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300001103386	0	56	0.0	-83.21	420.01	11.04	-72.17
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300001103392	0	56	0.0	-80.45	420.81	13.39	-67.06
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCCC2)=C1	REAL300001103392	1	56	0.0	-81.66	420.79	13.39	-68.27
C[NH+](C)CC1(C(=O)NC2(C(=O)[O-])CCCCC2)CCCCC1	REAL300001103460	0	52	0.0	-82.36	330.91	9.49	-72.87
C[N@H+](CCC(=O)NC1(C(=O)[O-])CCCCC1)C1CCCCC1	REAL300001103462	0	52	0.0	-68.14	364.36	9.89	-58.25
C[N@@H+](CCC(=O)NC1(C(=O)[O-])CCCCC1)C1CCCCC1	REAL300001103462	1	52	0.0	-69.00	364.37	9.87	-59.13
O=C([O-])C1(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCCCC1	REAL300001103521	0	46	0.0	-86.96	355.17	8.94	-78.02
O=C([O-])C1(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CCCCC1	REAL300001103540	0	54	0.0	-80.11	377.68	8.57	-71.54
O=C(CCCC[NH+]1CCOCC1)NC1(C(=O)[O-])CCCCC1	REAL300001103564	1	50	0.0	-77.11	364.21	7.88	-69.23
CC[N@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCCC2)C=C1)C(C)C	REAL300001103565	0	55	0.0	-83.47	389.08	11.24	-72.23
CC[N@@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCCC2)C=C1)C(C)C	REAL300001103565	1	55	0.0	-83.83	383.45	10.98	-72.85
O=C([O-])C1(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCCCC1	REAL300001103582	0	50	0.0	-68.62	370.67	10.71	-57.91
O=C([O-])C1(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCCCC1	REAL300001103582	1	50	0.0	-66.46	371.08	10.74	-55.72
O=C([O-])C1(NC(=O)C2CC[NH+](C3CCSC3)CC2)CCCCC1	REAL300001103583	0	51	0.0	-78.57	369.76	10.18	-68.39
O=C(CC1([NH+]2CCOCC2)CCCC1)NC1(C(=O)[O-])CCCCC1	REAL300001103605	0	54	0.0	-69.54	362.69	7.91	-61.63
CC(C(=O)NC1(C(=O)[O-])CCCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300001103608	0	49	0.0	-64.83	360.87	10.25	-54.58
CC(C(=O)NC1(C(=O)[O-])CCCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300001103608	1	49	0.0	-59.26	359.77	10.21	-49.05
O=C([O-])C1(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCCCC1	REAL300001103616	0	56	0.0	-55.32	400.52	12.38	-42.94
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCCCC1	REAL300001103616	1	56	0.0	-62.72	400.02	12.37	-50.35
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCCC2)C=N1	REAL300001103633	0	45	0.0	-82.01	339.89	7.94	-74.07
CCC[NH+](CCC)CCCC(=O)NC1(C(=O)[O-])CCCCC1	REAL300001103640	0	54	0.0	-70.72	388.51	10.50	-60.22
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCCCC1	REAL300001103658	0	50	0.0	-86.90	368.90	10.95	-75.95
O=C([O-])C1(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCCCC1	REAL300001103663	0	53	0.0	-75.45	385.66	11.64	-63.81
CCN1CCC([NH+]2CCC(C(=O)NC3(C(=O)[O-])CCCCC3)CC2)CC1	REAL300001103669	0	61	0.0	-77.28	420.80	9.24	-68.04
CC1C[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCCC3)C=C2)CC(C)O1	REAL300001103676	1	57	0.0	-89.33	418.97	10.68	-78.65
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NC1(C(=O)[O-])CCCCC1	REAL300001103685	1	54	0.0	-82.14	393.50	10.50	-71.64
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NC1(C(=O)[O-])CCCCC1	REAL300001103685	1	54	0.0	-81.29	400.29	10.55	-70.74
CC1=C(C(=O)NC2(C(=O)[O-])CCCCC2)C=NN1C1=CC=[NH+]C=C1	REAL300001103699	1	44	0.0	-81.56	340.09	8.10	-73.46
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCCCC1	REAL300001103702	0	53	0.0	-86.95	385.64	11.65	-75.30
O=C([O-])C1(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCCCC1	REAL300001103713	1	46	0.0	-79.54	349.35	8.42	-71.12
C[NH+](C)CCC1=CC=C(C(=O)NC2(C(=O)[O-])CCCCC2)C=C1	REAL300001103714	0	49	0.0	-90.76	366.58	10.65	-80.11
O=C([O-])C1(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCCCC1	REAL300001103718	1	51	0.0	-84.24	380.04	9.94	-74.30
O=C([O-])C1(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCCCC1	REAL300001103718	1	51	0.0	-74.07	380.09	9.95	-64.12
CC(C(=O)NC1(C(=O)[O-])CCCCC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001103727	0	59	0.0	-62.56	416.64	12.50	-50.06
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCCCC1	REAL300001103756	0	49	0.0	-62.95	365.09	10.65	-52.30
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCCCC1	REAL300001103756	1	49	0.0	-63.02	365.08	10.65	-52.37
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CCCCC1	REAL300001103757	0	53	0.0	-67.58	394.13	6.90	-60.68
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CC(C[NH+]1CCOCC1)C(=O)NC(CC(=O)[O-])C1=CC=C(F)C=C1	REAL300001107941	0	47	0.0	-70.55	364.63	7.09	-63.46
CC1CC[NH+](CC(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300001107956	0	46	0.0	-67.05	356.83	8.88	-58.17
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CC(C)[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=C(F)C=C1	REAL300001108400	0	46	0.0	-49.62	359.41	9.21	-40.41
CC(C)[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=C(F)C=C1	REAL300001108400	1	46	0.0	-62.35	352.37	8.49	-53.86
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CC(C)[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300001108784	1	49	0.0	-66.90	372.62	9.17	-57.73
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C[N@H+]1CC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C(C(F)(F)F)C1	REAL300001108785	1	43	0.0	-78.42	357.43	8.11	-70.31
CC1=C(C)[NH+]=C(CCC(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)N1	REAL300001108809	1	44	0.0	-64.50	363.89	7.70	-56.80
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C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300001109327	0	43	0.0	-63.44	350.16	8.94	-54.50
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CC1=[NH+]C=C2C=CC(C(=O)NC(CC(=O)[O-])C3=CC=C(F)C=C3)=CN12	REAL300001109335	0	41	0.0	-67.24	345.14	9.66	-57.58
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300001109388	0	52	0.0	-55.65	401.41	10.91	-44.74
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CC[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300001109389	1	46	0.0	-67.85	355.96	8.65	-59.20
C[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300001109393	0	43	0.0	-52.59	338.77	8.92	-43.67
C[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300001109393	1	43	0.0	-69.93	338.00	8.03	-61.90
C[NH+](C)CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)O1	REAL300001109395	1	43	0.0	-71.17	364.05	8.78	-62.39
O=C([O-])CC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=C(F)C=C1	REAL300001109403	0	45	0.0	-50.62	357.94	9.70	-40.92
O=C([O-])CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=C(F)C=C1	REAL300001109403	1	45	0.0	-68.65	351.34	9.63	-59.02
O=C([O-])C1CCCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300001110664	0	50	0.0	-83.26	373.03	10.77	-72.49
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300001111438	0	47	0.0	-71.36	353.91	10.15	-61.21
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300001111438	1	47	0.0	-67.17	349.15	9.71	-57.46
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300001112146	1	47	0.0	-69.57	366.22	10.28	-59.29
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300001112146	1	47	0.0	-72.74	369.51	10.67	-62.07
O=C([O-])C1CCCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300001112217	0	50	0.0	-69.95	370.08	10.44	-59.51
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC(C(=O)[O-])C3)CC2)=CS1	REAL300001112278	1	49	0.0	-79.08	380.00	8.83	-70.25
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300001112335	0	53	0.0	-80.76	406.22	10.43	-70.33
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300001112348	0	53	0.0	-82.80	405.92	12.36	-70.44
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300001112348	1	53	0.0	-81.77	405.63	12.36	-69.41
CC1(C(=O)N2CCCC(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300001112349	0	53	0.0	-69.71	376.81	10.69	-59.02
O=C([O-])C1CCCN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001112387	0	50	0.0	-74.40	379.64	10.35	-64.05
O=C([O-])C1CCCN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001112387	1	50	0.0	-70.28	378.53	10.34	-59.94
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300001112441	1	50	0.0	-71.83	376.55	10.88	-60.95
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300001112441	1	50	0.0	-71.32	376.32	10.85	-60.47
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300001112442	1	47	0.0	-70.42	355.90	9.83	-60.59
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300001112442	1	47	0.0	-73.77	359.18	10.22	-63.55
O=C([O-])C1CCCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300001112490	0	43	0.0	-79.38	342.34	7.98	-71.40
C[NH+](C)CCN1N=CC(C(=O)N2CCCC(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300001112495	0	53	0.0	-80.93	410.17	10.26	-70.67
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300001112519	0	50	0.0	-65.10	348.42	9.40	-55.70
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300001112519	1	50	0.0	-64.72	347.81	9.38	-55.34
O=C([O-])C1CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300001112520	0	51	0.0	-82.75	363.33	7.77	-74.98
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1)C(C)C	REAL300001112542	0	52	0.0	-80.43	375.83	10.29	-70.14
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1)C(C)C	REAL300001112542	1	52	0.0	-80.60	369.96	10.01	-70.59
O=C([O-])C1CCCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001112563	0	47	0.0	-76.92	354.24	10.03	-66.89
O=C([O-])C1CCCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001112563	1	47	0.0	-75.51	353.60	9.96	-65.55
O=C([O-])C1CCCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300001112564	0	48	0.0	-83.29	351.94	9.21	-74.08
C[NH+]1CCN(C(C(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300001112585	1	52	0.0	-71.54	376.92	7.90	-63.64
O=C([O-])C1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300001112586	0	51	0.0	-75.60	348.92	7.55	-68.05
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300001112589	0	46	0.0	-71.46	345.34	9.57	-61.89
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001112589	1	46	0.0	-71.45	345.59	9.61	-61.84
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300001112596	0	53	0.0	-79.76	396.11	11.62	-68.14
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300001112596	1	53	0.0	-58.68	395.88	11.64	-47.04
O=C([O-])C1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300001112633	1	51	0.0	-66.05	369.32	6.87	-59.18
CC[N@H+](C)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001112634	0	46	0.0	-64.97	341.11	9.52	-55.45
CC[N@@H+](C)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001112634	1	46	0.0	-64.23	338.08	9.48	-54.75
CC[NH+](CC)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001112639	0	49	0.0	-66.36	350.84	9.84	-56.52
C[NH+](C)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001112642	1	43	0.0	-68.98	337.38	9.35	-59.63
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300001112656	0	47	0.0	-85.18	355.49	9.98	-75.20
O=C([O-])C1CCCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300001112662	0	50	0.0	-77.65	370.78	10.63	-67.02
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(C(=O)[O-])C3)CC2)CC1	REAL300001112668	0	58	0.0	-79.87	406.79	8.48	-71.39
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300001112674	1	54	0.0	-87.09	405.58	9.71	-77.38
O=C([O-])C1CCCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001112685	1	51	0.0	-84.87	387.37	10.25	-74.62
O=C([O-])C1CCCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001112685	1	51	0.0	-87.68	380.42	10.19	-77.49
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300001112700	0	50	0.0	-67.95	370.37	10.82	-57.13
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300001112700	1	50	0.0	-70.27	362.12	10.46	-59.81
CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300001112702	1	41	0.0	-71.03	324.46	7.16	-63.87
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300001112710	0	50	0.0	-85.42	372.23	10.69	-74.73
O=C([O-])C1CCCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300001112721	1	43	0.0	-80.10	334.31	8.13	-71.97
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300001112722	0	46	0.0	-87.08	353.16	9.68	-77.40
O=C([O-])C1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001112729	1	48	0.0	-77.88	355.21	9.27	-68.61
O=C([O-])C1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001112729	1	48	0.0	-78.33	355.80	9.31	-69.02
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001112733	0	57	0.0	-67.70	418.93	11.22	-56.48
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001112733	1	57	0.0	-65.09	411.64	10.96	-54.13
CC(C(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001112741	0	56	0.0	-73.37	402.82	11.85	-61.52
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300001112773	0	46	0.0	-74.47	351.29	10.06	-64.41
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300001112773	1	46	0.0	-74.49	351.28	10.07	-64.42
COCCOCC[N@H+](C)CCC(=O)N1CCCC(C(=O)[O-])C1	REAL300001112774	0	50	0.0	-75.88	380.97	6.34	-69.54
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(C(=O)[O-])C1	REAL300001112774	1	50	0.0	-77.35	381.05	6.34	-71.01
O=C([O-])C1CCCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300001112783	0	55	0.0	-81.54	407.17	9.85	-71.69
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300001112784	1	49	0.0	-74.33	356.75	8.69	-65.64
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300001112784	1	49	0.0	-74.46	357.39	8.72	-65.74
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300001112785	1	49	0.0	-68.67	364.82	8.96	-59.71
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300001112785	1	49	0.0	-72.28	357.08	8.69	-63.59
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300001112812	0	51	0.0	-75.37	367.50	6.85	-68.52
CC(C)N1CC[NH+](CCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300001112812	1	51	0.0	-76.20	364.71	6.69	-69.51
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300001112813	0	54	0.0	-73.79	389.69	7.70	-66.09
CC(C)N1CC[NH+](CCCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300001112813	1	54	0.0	-77.24	386.53	7.52	-69.72
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300001112818	0	55	0.0	-80.33	406.56	9.68	-70.65
O=C([O-])C1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300001112819	0	52	0.0	-80.46	385.67	9.06	-71.40
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300001112823	0	49	0.0	-60.69	366.78	8.92	-51.77
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300001112823	1	49	0.0	-59.40	368.20	8.92	-50.48
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001112827	0	47	0.0	-71.08	347.10	9.95	-61.13
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001112827	1	47	0.0	-71.53	346.99	9.97	-61.56
CCC(CC)C(C(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300001112839	1	53	0.0	-64.54	356.91	7.85	-56.69
O=C([O-])C1CCCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001112853	0	50	0.0	-81.72	378.16	10.96	-70.76
O=C([O-])C1CCCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001112853	1	50	0.0	-81.08	377.65	10.94	-70.14
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=NN1	REAL300001112868	1	44	0.0	-82.13	335.02	7.01	-75.12
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=NN1	REAL300001112868	1	44	0.0	-79.53	328.42	6.45	-73.08
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300001112878	0	50	0.0	-78.14	379.59	10.80	-67.34
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300001112878	1	50	0.0	-59.20	379.73	10.84	-48.36
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300001112879	1	46	0.0	-66.61	346.16	8.17	-58.44
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300001112879	1	46	0.0	-66.14	345.22	7.93	-58.21
O=C([O-])C1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300001112881	0	51	0.0	-80.40	382.89	8.43	-71.97
O=C([O-])C1CCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300001112912	0	50	0.0	-75.18	355.37	9.43	-65.75
O=C([O-])C1CCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300001112912	1	50	0.0	-75.91	353.64	9.37	-66.54
O=C([O-])C1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300001112927	0	55	0.0	-77.26	401.43	9.57	-67.69
O=C([O-])C1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300001112927	1	55	0.0	-82.34	401.87	9.48	-72.86
CC(C)[N@@H+]1CCC(C(=O)N2CCCC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300001112933	0	56	0.0	-83.90	413.27	9.63	-74.27
CC(C)[N@H+]1CCC(C(=O)N2CCCC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300001112933	1	56	0.0	-77.61	397.79	9.36	-68.25
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300001112934	0	50	0.0	-87.61	379.48	8.44	-79.17
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300001112934	1	50	0.0	-81.95	363.99	8.14	-73.81
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(C(=O)[O-])C3)=C2)CC1	REAL300001112939	0	52	0.0	-79.78	389.38	8.25	-71.53
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300001112940	0	52	0.0	-81.44	388.52	8.24	-73.20
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300001112940	1	52	0.0	-86.46	388.76	8.13	-78.33
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300001112941	0	53	0.0	-83.27	393.94	9.92	-73.35
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300001113013	0	54	0.0	-88.20	403.90	7.99	-80.21
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001113015	0	50	0.0	-79.25	373.71	10.79	-68.46
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001113015	1	50	0.0	-54.90	364.17	10.81	-44.09
O=C([O-])C1CCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001113069	0	48	0.0	-54.39	361.07	7.09	-47.30
O=C([O-])C1CCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001113069	1	48	0.0	-71.49	359.42	7.12	-64.37
C[NH+](C)CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300001113073	0	46	0.0	-62.36	355.14	9.44	-52.92
CC[NH+](CC)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001113075	0	52	0.0	-68.48	388.65	10.97	-57.51
O=C([O-])C1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300001113099	1	48	0.0	-64.27	361.92	10.44	-53.83
CC(C)C(C(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300001113100	1	53	0.0	-68.37	360.91	7.72	-60.65
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C(=O)[O-])C3)=CC=C1N2	REAL300001113122	1	48	0.0	-81.30	365.84	9.22	-72.08
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C(=O)[O-])C3)=CC=C1N2	REAL300001113122	1	48	0.0	-71.80	362.85	9.14	-62.66
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300001113172	0	46	0.0	-52.94	349.35	8.77	-44.17
CC1=CC=C(N2CCC(C(=O)N3CCCC(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300001113174	1	49	0.0	-54.01	366.24	8.66	-45.35
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300001113177	0	55	0.0	-82.77	398.74	9.20	-73.57
O=C([O-])C1CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300001113186	1	38	0.0	-79.91	310.05	6.79	-73.12
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001113217	0	50	0.0	-75.92	369.05	10.71	-65.21
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C(=O)[O-])C1	REAL300001113217	1	50	0.0	-75.05	372.04	10.73	-64.32
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300001113233	0	51	0.0	-83.15	393.46	10.14	-73.01
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300001113249	0	47	0.0	-54.60	354.64	9.18	-45.42
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300001113275	0	49	0.0	-77.65	362.82	8.67	-68.98
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300001113275	1	49	0.0	-71.67	361.73	8.63	-63.04
O=C([O-])C1CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300001113468	0	51	0.0	-79.16	376.37	10.81	-68.35
O=C([O-])C1CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300001113468	1	51	0.0	-84.62	379.23	10.83	-73.79
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300001113496	1	50	0.0	-73.65	376.33	10.88	-62.77
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300001113496	1	50	0.0	-71.02	368.79	10.52	-60.50
C[N@@H+]1CC(C(=O)N2CCCC(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300001113559	0	40	0.0	-82.23	312.26	7.19	-75.04
C[N@H+]1CC(C(=O)N2CCCC(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300001113559	1	40	0.0	-85.92	301.42	7.37	-78.55
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300001113916	0	46	0.0	-79.75	351.62	9.61	-70.14
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300001113920	0	47	0.0	-84.51	358.76	8.58	-75.93
O=C([O-])C1CCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300001113985	0	53	0.0	-73.66	392.63	11.67	-61.99
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CCO1	REAL300001113987	1	51	0.0	-86.01	378.12	9.01	-77.00
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CCO1	REAL300001113987	1	51	0.0	-87.89	378.58	9.02	-78.87
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC(=O)[O-])=C1	REAL300001115458	0	43	0.0	-71.02	348.67	9.13	-61.89
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC(=O)[O-])=C1	REAL300001115458	1	43	0.0	-70.50	348.58	9.14	-61.36
O=C([O-])CNC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001115473	0	40	0.0	-57.38	329.22	7.42	-49.96
O=C([O-])CNC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001115473	1	40	0.0	-58.57	331.57	7.46	-51.11
C[NH+](C)CCN1N=CC(C(=O)NCC(=O)[O-])=C1C1=CC=CC=C1	REAL300001115506	0	43	0.0	-70.84	347.10	6.80	-64.04
O=C([O-])CNC(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300001115552	0	47	0.0	-62.70	390.07	10.64	-52.06
O=C([O-])CNC(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300001115552	1	47	0.0	-65.99	392.90	10.61	-55.38
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC(=O)[O-])=C1	REAL300001115553	0	50	0.0	-63.03	397.74	10.76	-52.27
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC(=O)[O-])=C1	REAL300001115553	1	50	0.0	-64.98	396.07	10.52	-54.46
CC1C[NH+](CC2=CC=C(C(=O)NCC(=O)[O-])C=C2)CC(C)O1	REAL300001115556	1	44	0.0	-71.87	346.80	6.43	-65.44
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC(=O)[O-]	REAL300001115575	0	50	0.0	-65.61	388.76	10.12	-55.49
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC(=O)[O-]	REAL300001115575	1	50	0.0	-63.82	387.89	10.23	-53.59
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC(=O)[O-]	REAL300001115576	0	47	0.0	-59.41	358.00	8.88	-50.53
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC(=O)[O-]	REAL300001115576	1	47	0.0	-57.60	350.81	8.61	-48.99
CC(C(=O)NCC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001115581	0	46	0.0	-51.11	352.07	8.52	-42.59
O=C([O-])CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001115589	0	45	0.0	-64.91	348.11	6.20	-58.71
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC(=O)[O-])CC2)=C1	REAL300001115594	0	45	0.0	-61.71	348.01	6.06	-55.65
O=C([O-])CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300001115618	0	45	0.0	-60.15	345.38	6.38	-53.77
O=C([O-])CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300001115618	1	45	0.0	-67.81	346.73	6.04	-61.77
CC(C)[N@@H+]1CCC(C(=O)NCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001115620	0	46	0.0	-60.36	343.67	5.79	-54.57
CC(C)[N@H+]1CCC(C(=O)NCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001115620	1	46	0.0	-65.56	344.99	5.54	-60.02
O=C([O-])CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001115633	0	44	0.0	-71.90	345.19	4.70	-67.20
CC[NH+](CC)C(C(=O)NCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300001115655	0	42	0.0	-52.13	331.23	7.40	-44.73
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC(=O)[O-])C=C2)CC1	REAL300001115684	0	45	0.0	-69.23	339.97	5.90	-63.33
O=C([O-])CNC(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300001115882	0	48	0.0	-67.03	379.43	7.21	-59.82
O=C([O-])CNC(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300001115882	1	48	0.0	-65.94	376.30	7.27	-58.67
CC(C)(C)[N@@H+]1CC[C@H](C(=O)NCC(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300001115908	0	49	0.0	-51.87	354.75	8.44	-43.43
CC(C)(C)[N@H+]1CC[C@H](C(=O)NCC(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300001115908	1	49	0.0	-64.91	369.64	8.51	-56.40
CN(CC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300001117604	1	40	0.0	-60.64	331.43	9.45	-51.19
CN(CC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300001117604	1	40	0.0	-58.92	329.51	9.39	-49.53
CC1=NC(C[NH+]2CCC(C(=O)N(C)CC(=O)[O-])CC2)=CS1	REAL300001117658	1	42	0.0	-72.68	337.77	7.21	-65.47
CN(CC(=O)[O-])C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001117679	0	46	0.0	-76.98	367.08	9.20	-67.78
CN(CC(=O)[O-])C(=O)C1=CC(C[N@H+](C)CC2=CC=CC=C2)=CC=C1	REAL300001117684	0	46	0.0	-87.52	365.78	11.14	-76.38
CN(CC(=O)[O-])C(=O)C1=CC(C[N@@H+](C)CC2=CC=CC=C2)=CC=C1	REAL300001117684	1	46	0.0	-74.37	365.79	11.15	-63.22
CN(CC(=O)[O-])C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300001117685	0	46	0.0	-69.99	337.71	9.53	-60.46
CN(CC(=O)[O-])C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001117703	0	43	0.0	-55.14	340.08	9.16	-45.98
CN(CC(=O)[O-])C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001117703	1	43	0.0	-72.07	340.72	9.21	-62.86
CN(CC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300001117722	1	43	0.0	-56.42	324.50	9.14	-47.28
CN(CC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300001117722	1	43	0.0	-54.94	336.57	9.64	-45.30
CN(CC(=O)[O-])C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300001117752	0	46	0.0	-80.84	366.55	8.77	-72.07
CN(CC(=O)[O-])C(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300001117788	1	45	0.0	-58.13	338.94	6.74	-51.39
CN(CC(=O)[O-])C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001117792	0	46	0.0	-56.44	345.91	10.45	-45.99
CN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001117792	1	46	0.0	-68.57	351.69	10.21	-58.36
CN(CC(=O)[O-])C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300001117816	1	44	0.0	-52.69	339.59	6.29	-46.40
CCN1CCC([NH+]2CCC(C(=O)N(C)CC(=O)[O-])CC2)CC1	REAL300001117824	0	51	0.0	-71.91	358.95	6.88	-65.03
CN(CC(=O)[O-])C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300001117825	0	50	0.0	-79.39	408.03	12.65	-66.74
CN(CC(=O)[O-])C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300001117825	1	50	0.0	-79.14	407.53	12.71	-66.43
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)CC(=O)[O-])=C1	REAL300001117826	0	53	0.0	-74.38	409.84	12.95	-61.43
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)CC(=O)[O-])=C1	REAL300001117826	1	53	0.0	-77.04	412.26	12.86	-64.18
CC1C[NH+](CC2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)CC(C)O1	REAL300001117830	1	47	0.0	-84.05	362.81	8.44	-75.61
CN(CC(=O)[O-])C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001117837	1	44	0.0	-77.35	340.56	8.92	-68.43
CN(CC(=O)[O-])C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001117837	1	44	0.0	-77.80	347.29	8.98	-68.82
CN(CC(=O)[O-])C(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300001117848	0	53	0.0	-66.82	404.96	12.83	-53.99
CN(CC(=O)[O-])C(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300001117848	1	53	0.0	-68.61	401.81	12.26	-56.35
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N(C)CC(=O)[O-]	REAL300001117850	0	50	0.0	-69.65	377.46	10.30	-59.35
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N(C)CC(=O)[O-]	REAL300001117850	1	50	0.0	-57.71	372.65	9.85	-47.86
CC(C(=O)N(C)CC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001117855	0	49	0.0	-58.78	369.64	10.88	-47.90
CN(CC(=O)[O-])C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001117867	0	48	0.0	-72.18	367.31	8.59	-63.59
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)CC(=O)[O-])CC2)=C1	REAL300001117877	0	48	0.0	-68.29	367.21	8.45	-59.84
CN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001117878	0	45	0.0	-68.69	345.81	7.80	-60.89
CN(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300001117905	0	43	0.0	-65.14	329.82	9.65	-55.49
CN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300001117905	1	43	0.0	-61.27	329.39	9.59	-51.68
CN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300001117906	0	44	0.0	-68.69	343.54	7.20	-61.49
CN(CC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300001117924	0	48	0.0	-62.43	364.15	8.57	-53.86
CN(CC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300001117924	1	48	0.0	-69.26	359.24	8.68	-60.58
CC(C)[N@@H+]1CCC(C(=O)N(C)CC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001117926	0	49	0.0	-77.62	366.38	8.17	-69.45
CC(C)[N@H+]1CCC(C(=O)N(C)CC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001117926	1	49	0.0	-78.63	359.23	7.66	-70.97
CN(CC(=O)[O-])C(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1	REAL300001117929	0	45	0.0	-69.12	347.76	6.97	-62.15
CN(CC(=O)[O-])C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300001117930	0	45	0.0	-81.26	345.72	6.80	-74.46
CN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300001117930	1	45	0.0	-82.54	346.06	6.86	-75.68
CC[NH+](CC)C(C(=O)N(C)CC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300001117979	0	45	0.0	-60.85	347.96	9.68	-51.17
CN(CC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300001117999	1	41	0.0	-88.01	324.03	7.99	-80.02
CN(CC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300001117999	1	41	0.0	-88.05	324.07	7.99	-80.06
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)CC1	REAL300001118017	0	48	0.0	-81.45	356.03	7.91	-73.54
CN(CC(=O)[O-])C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001118038	0	44	0.0	-81.55	354.67	8.92	-72.63
CN(CC(=O)[O-])C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300001118053	0	42	0.0	-61.91	322.93	7.45	-54.46
CN(CC(=O)[O-])C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300001118053	1	42	0.0	-54.29	324.94	7.48	-46.81
CN(CC(=O)[O-])C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300001118119	0	44	0.0	-66.06	335.77	9.65	-56.41
CN(CC(=O)[O-])C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300001118119	1	44	0.0	-78.81	338.58	9.58	-69.23
CN(CC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300001118132	1	43	0.0	-57.26	335.67	9.57	-47.69
CN(CC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300001118132	1	43	0.0	-54.24	328.63	9.30	-44.94
CN(CC(=O)[O-])C(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300001118304	0	51	0.0	-84.07	394.28	9.33	-74.74
CN(CC(=O)[O-])C(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300001118304	1	51	0.0	-84.99	394.98	9.29	-75.70
CN(CC(=O)[O-])C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001118318	0	46	0.0	-68.52	352.72	10.40	-58.12
CC1C[N@H+](CC2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)CCO1	REAL300001118319	1	44	0.0	-83.12	336.44	7.72	-75.40
CC1C[N@@H+](CC2=CC=C(C(=O)N(C)CC(=O)[O-])C=C2)CCO1	REAL300001118319	1	44	0.0	-82.90	336.50	7.72	-75.18
CN(CC(=O)[O-])C(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F	REAL300001118339	0	52	0.0	-50.41	370.67	10.62	-39.79
CN(CC(=O)[O-])C(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F	REAL300001118339	1	52	0.0	-76.90	383.89	10.62	-66.28
CN(CCCC(=O)[O-])C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001119483	0	49	0.0	-78.00	371.65	10.56	-67.44
CN(CCCC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300001120195	0	46	0.0	-67.03	356.83	10.08	-56.95
CN(CCCC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300001120195	1	46	0.0	-66.27	355.29	10.06	-56.21
CN(CCCC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300001120799	1	46	0.0	-70.61	373.56	10.60	-60.01
CN(CCCC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300001120799	1	46	0.0	-66.94	372.03	10.56	-56.38
CN(CCCC(=O)[O-])C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300001120852	0	49	0.0	-64.05	373.27	10.44	-53.61
CC1=NC(C[NH+]2CCC(C(=O)N(C)CCCC(=O)[O-])CC2)=CS1	REAL300001120895	1	48	0.0	-76.45	380.29	8.38	-68.07
CN(CCCC(=O)[O-])C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001120938	0	52	0.0	-78.13	409.61	10.37	-67.76
CN(CCCC(=O)[O-])C(=O)C1=CC(C[N@H+](C)CC2=CC=CC=C2)=CC=C1	REAL300001120946	0	52	0.0	-89.24	408.32	12.31	-76.93
CN(CCCC(=O)[O-])C(=O)C1=CC(C[N@@H+](C)CC2=CC=CC=C2)=CC=C1	REAL300001120946	1	52	0.0	-76.06	408.31	12.32	-63.74
CN(CCCC(=O)[O-])C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300001120947	0	52	0.0	-73.52	380.24	10.70	-62.82
CN(CCCC(=O)[O-])C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001120982	0	49	0.0	-65.40	382.61	10.32	-55.08
CN(CCCC(=O)[O-])C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001120982	1	49	0.0	-65.79	380.77	10.18	-55.61
CN(CCCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300001121018	1	49	0.0	-68.59	378.18	10.73	-57.86
CN(CCCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300001121018	1	49	0.0	-70.53	366.66	10.30	-60.23
CN(CCCC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300001121019	1	46	0.0	-71.63	363.24	10.15	-61.48
CN(CCCC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300001121019	1	46	0.0	-67.80	361.71	10.11	-57.69
CN(CCCC(=O)[O-])C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300001121059	0	42	0.0	-77.16	341.37	7.84	-69.32
CN(CCCC(=O)[O-])C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300001121064	0	52	0.0	-80.49	409.10	9.94	-70.55
CN(CCCC(=O)[O-])C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300001121087	0	50	0.0	-58.64	356.74	7.50	-51.14
CC[N@H+](CC1=CC=C(C(=O)N(C)CCCC(=O)[O-])C=C1)C(C)C	REAL300001121102	0	51	0.0	-80.27	374.87	10.15	-70.12
CC[N@@H+](CC1=CC=C(C(=O)N(C)CCCC(=O)[O-])C=C1)C(C)C	REAL300001121102	1	51	0.0	-77.94	371.58	9.94	-68.00
CN(CCCC(=O)[O-])C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001121122	0	46	0.0	-71.02	359.73	10.02	-61.00
CN(CCCC(=O)[O-])C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001121122	1	46	0.0	-71.28	356.48	9.93	-61.35
CN(CCCC(=O)[O-])C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001121123	0	47	0.0	-77.91	355.56	9.27	-68.64
CN(CCCC(=O)[O-])C(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300001121141	1	51	0.0	-61.08	381.46	7.90	-53.18
CN(CCCC(=O)[O-])C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300001121142	0	50	0.0	-70.63	352.27	7.47	-63.16
CN(CCCC(=O)[O-])C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001121150	0	52	0.0	-62.32	389.06	11.64	-50.68
CN(CCCC(=O)[O-])C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001121150	1	52	0.0	-65.62	388.06	11.56	-54.06
CN(CCCC(=O)[O-])C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300001121187	0	50	0.0	-62.07	382.11	7.45	-54.62
CC[NH+](CC)C(C(=O)N(C)CCCC(=O)[O-])C1=CC=CC=C1	REAL300001121192	0	48	0.0	-60.14	355.17	9.81	-50.33
CN(CCCC(=O)[O-])C(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300001121193	1	42	0.0	-68.99	343.55	9.34	-59.65
CN(CCCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300001121205	0	46	0.0	-81.27	354.43	9.80	-71.47
CN(CCCC(=O)[O-])C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001121210	0	49	0.0	-71.84	373.18	10.57	-61.27
CCC(C(=O)N(C)CCCC(=O)[O-])[N@@H+]1CCOC(CC)C1	REAL300001121213	1	49	0.0	-66.89	353.98	7.54	-59.35
CCC(C(=O)N(C)CCCC(=O)[O-])[N@H+]1CCOC(CC)C1	REAL300001121213	1	49	0.0	-66.17	360.19	7.64	-58.53
CCN1CCC([NH+]2CCC(C(=O)N(C)CCCC(=O)[O-])CC2)CC1	REAL300001121216	0	57	0.0	-75.12	401.48	8.05	-67.07
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)CCCC(=O)[O-])=C1	REAL300001121218	0	59	0.0	-79.44	452.39	14.13	-65.31
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)CCCC(=O)[O-])=C1	REAL300001121218	1	59	0.0	-81.61	455.14	14.04	-67.57
CC1C[NH+](CC2=CC=C(C(=O)N(C)CCCC(=O)[O-])C=C2)CC(C)O1	REAL300001121222	1	53	0.0	-84.78	405.33	9.60	-75.18
CN(CCCC(=O)[O-])C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001121232	1	50	0.0	-81.26	382.81	10.07	-71.19
CN(CCCC(=O)[O-])C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001121232	1	50	0.0	-80.17	389.81	10.15	-70.02
CN(CCCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300001121247	0	49	0.0	-64.50	371.67	10.67	-53.83
CN(CCCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300001121247	1	49	0.0	-66.69	365.03	10.37	-56.32
CC1=C(C(=O)N(C)CCCC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300001121248	1	40	0.0	-78.29	330.86	7.15	-71.14
CN(CCCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001121255	0	49	0.0	-81.83	371.75	10.53	-71.30
CN(CCCC(=O)[O-])C(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300001121265	0	59	0.0	-71.11	446.59	13.74	-57.37
CN(CCCC(=O)[O-])C(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300001121265	1	59	0.0	-72.86	445.32	13.49	-59.37
CN(CCCC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001121270	1	47	0.0	-82.31	364.45	9.41	-72.90
CN(CCCC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001121270	1	47	0.0	-77.34	357.54	9.23	-68.11
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N(C)CCCC(=O)[O-]	REAL300001121274	0	56	0.0	-61.00	420.83	11.23	-49.77
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N(C)CCCC(=O)[O-]	REAL300001121274	1	56	0.0	-59.02	415.17	11.02	-48.00
CC(C(=O)N(C)CCCC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001121282	0	55	0.0	-66.44	412.18	12.05	-54.39
COCCOCC[N@H+](C)CCC(=O)N(C)CCCC(=O)[O-]	REAL300001121303	0	49	0.0	-70.03	383.67	6.25	-63.78
COCCOCC[N@@H+](C)CCC(=O)N(C)CCCC(=O)[O-]	REAL300001121303	1	49	0.0	-72.42	383.71	6.25	-66.17
CN(CCCC(=O)[O-])C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001121312	0	54	0.0	-75.84	409.83	9.76	-66.08
CN(CCCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300001121313	1	48	0.0	-68.72	366.78	8.92	-59.80
CN(CCCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300001121313	1	48	0.0	-65.88	366.68	8.91	-56.97
CN(CCCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300001121314	1	48	0.0	-73.00	359.99	8.59	-64.41
CN(CCCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300001121314	1	48	0.0	-66.36	367.60	8.97	-57.39
CC(C)[NH+]1CCN(CCCC(=O)N(C)CCCC(=O)[O-])CC1	REAL300001121332	0	53	0.0	-69.89	392.38	7.60	-62.29
CC(C)N1CC[NH+](CCCC(=O)N(C)CCCC(=O)[O-])CC1	REAL300001121332	1	53	0.0	-72.05	388.70	7.39	-64.66
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)CCCC(=O)[O-])CC2)=C1	REAL300001121336	0	54	0.0	-74.10	409.74	9.62	-64.48
CN(CCCC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001121337	0	51	0.0	-74.59	388.34	8.97	-65.62
CN(CCCC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300001121340	0	48	0.0	-74.02	368.08	8.82	-65.20
CN(CCCC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300001121340	1	48	0.0	-72.84	367.80	8.72	-64.12
CC(C(=O)N(C)CCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300001121343	0	46	0.0	-66.71	348.91	9.89	-56.82
CC(C(=O)N(C)CCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300001121343	1	46	0.0	-66.67	345.73	9.83	-56.84
CCC(CC)C(C(=O)N(C)CCCC(=O)[O-])[NH+]1CCOCC1	REAL300001121352	1	52	0.0	-65.97	362.08	7.52	-58.45
CN(CCCC(=O)[O-])C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001121366	0	49	0.0	-75.36	380.67	10.86	-64.50
CN(CCCC(=O)[O-])C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001121366	1	49	0.0	-75.45	380.35	10.85	-64.60
CN(CCCC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300001121382	0	49	0.0	-72.61	378.08	10.58	-62.03
CN(CCCC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300001121382	1	49	0.0	-73.05	379.34	10.64	-62.41
CN(CCCC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300001121383	1	45	0.0	-62.16	352.29	8.45	-53.71
CN(CCCC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300001121383	1	45	0.0	-69.65	349.27	8.11	-61.54
CN(CCCC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300001121385	0	50	0.0	-74.37	386.06	8.37	-66.00
CN(CCCC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300001121418	0	54	0.0	-79.54	402.17	9.32	-70.22
CN(CCCC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300001121418	1	54	0.0	-75.52	403.67	9.66	-65.86
CC(C)[N@@H+]1CCC(C(=O)N(C)CCCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001121420	0	55	0.0	-81.37	408.90	9.34	-72.03
CC(C)[N@H+]1CCC(C(=O)N(C)CCCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001121420	1	55	0.0	-66.35	394.95	8.89	-57.46
CN(CCCC(=O)[O-])C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1	REAL300001121421	0	49	0.0	-79.73	366.67	7.70	-72.03
CN(CCCC(=O)[O-])C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1	REAL300001121421	1	49	0.0	-78.33	368.66	7.79	-70.54
CN(CCCC(=O)[O-])C(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1	REAL300001121424	0	51	0.0	-69.19	390.28	8.14	-61.05
CN(CCCC(=O)[O-])C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300001121425	0	51	0.0	-81.44	388.23	7.96	-73.48
CN(CCCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300001121425	1	51	0.0	-82.77	388.58	8.02	-74.75
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)CCCC(=O)[O-])C=C1	REAL300001121426	0	52	0.0	-78.32	391.46	9.58	-68.74
CN(CCCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001121462	0	53	0.0	-84.41	403.76	7.89	-76.52
CN(CCCC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001121464	0	49	0.0	-68.41	371.71	10.51	-57.90
CN(CCCC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001121464	1	49	0.0	-66.37	366.53	10.75	-55.62
CN(CCCC(=O)[O-])C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001121509	0	47	0.0	-72.94	363.52	7.20	-65.74
CN(CCCC(=O)[O-])C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001121509	1	47	0.0	-72.52	366.14	6.98	-65.54
CN(CCCC(=O)[O-])C(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1	REAL300001121512	0	45	0.0	-58.73	358.53	9.55	-49.18
CC[NH+](CC)C(C(=O)N(C)CCCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300001121514	0	51	0.0	-69.30	390.48	10.85	-58.45
CN(CCCC(=O)[O-])C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1	REAL300001121536	1	47	0.0	-64.13	367.74	10.41	-53.72
CC(C)C(C(=O)N(C)CCCC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300001121537	1	52	0.0	-60.72	373.98	8.15	-52.57
CN(CCCC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300001121555	1	47	0.0	-88.76	366.56	9.15	-79.61
CN(CCCC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300001121555	1	47	0.0	-80.58	364.81	9.10	-71.48
CC1=CC=C(N2CCC(C(=O)N(C)CCCC(=O)[O-])CC2)[NH+]=C1	REAL300001121599	1	48	0.0	-71.47	364.60	8.41	-63.06
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)CCCC(=O)[O-])C=C2)CC1	REAL300001121602	0	54	0.0	-81.58	398.55	9.08	-72.50
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(C)CCCC(=O)[O-]	REAL300001121630	0	49	0.0	-79.00	377.92	10.47	-68.53
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(C)CCCC(=O)[O-]	REAL300001121630	1	49	0.0	-71.67	377.57	10.45	-61.22
CN(CCCC(=O)[O-])C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001121644	0	50	0.0	-81.99	397.19	10.08	-71.91
CN(CCCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001121656	0	46	0.0	-78.81	358.93	9.38	-69.43
CN(CCCC(=O)[O-])C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300001121675	0	48	0.0	-75.67	367.26	8.71	-66.96
CN(CCCC(=O)[O-])C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300001121675	1	48	0.0	-61.71	368.49	8.72	-52.99
CN(CCCC(=O)[O-])C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300001121827	0	50	0.0	-72.78	378.29	10.81	-61.97
CN(CCCC(=O)[O-])C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300001121827	1	50	0.0	-76.00	381.76	10.81	-65.19
CN(CCCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300001121854	1	49	0.0	-73.58	371.53	10.50	-63.08
CN(CCCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300001121854	1	49	0.0	-66.77	379.09	10.81	-55.96
CN(CCCC(=O)[O-])C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300001122184	0	46	0.0	-80.21	360.15	8.52	-71.69
CN(CCCC(=O)[O-])C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001122233	0	52	0.0	-70.84	395.24	11.57	-59.27
CC1C[N@H+](CC2=CC=C(C(=O)N(C)CCCC(=O)[O-])C=C2)CCO1	REAL300001122235	1	50	0.0	-83.48	378.96	8.89	-74.59
CC1C[N@@H+](CC2=CC=C(C(=O)N(C)CCCC(=O)[O-])C=C2)CCO1	REAL300001122235	1	50	0.0	-83.67	379.02	8.89	-74.78
CN(CCCC(=O)[O-])C(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F	REAL300001122273	0	58	0.0	-79.01	428.10	11.84	-67.17
CN(CCCC(=O)[O-])C(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F	REAL300001122273	1	58	0.0	-79.01	428.10	11.84	-67.17
O=C([O-])[C@H]1CCCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300001123553	0	50	0.0	-84.33	373.01	10.78	-73.55
O=C([O-])[C@H]1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300001124327	0	47	0.0	-70.60	354.31	10.15	-60.45
O=C([O-])[C@H]1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300001124327	1	47	0.0	-65.66	348.65	9.77	-55.89
O=C([O-])[C@H]1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300001125035	1	47	0.0	-74.00	371.04	10.66	-63.34
O=C([O-])[C@H]1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300001125035	1	47	0.0	-74.60	365.90	10.44	-64.16
O=C([O-])[C@H]1CCCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300001125106	0	50	0.0	-71.16	372.82	10.62	-60.54
CC1=NC(C[NH+]2CCC(C(=O)N3CCC[C@H](C(=O)[O-])C3)CC2)=CS1	REAL300001125167	1	49	0.0	-58.16	379.15	8.74	-49.42
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300001125224	0	53	0.0	-80.12	406.70	10.44	-69.68
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300001125237	0	53	0.0	-81.46	407.94	12.44	-69.02
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300001125237	1	53	0.0	-80.65	407.84	12.45	-68.20
CC1(C(=O)N2CCC[C@H](C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300001125238	0	53	0.0	-58.49	377.21	10.63	-47.86
O=C([O-])[C@H]1CCCN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001125276	0	50	0.0	-69.07	376.58	10.22	-58.85
O=C([O-])[C@H]1CCCN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001125276	1	50	0.0	-72.44	376.64	10.17	-62.27
O=C([O-])[C@H]1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300001125330	1	50	0.0	-70.88	376.30	10.87	-60.01
O=C([O-])[C@H]1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300001125330	1	50	0.0	-70.88	374.99	10.78	-60.10
O=C([O-])[C@H]1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300001125331	1	47	0.0	-75.04	360.72	10.21	-64.83
O=C([O-])[C@H]1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300001125331	1	47	0.0	-75.67	355.59	9.99	-65.68
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300001125379	0	43	0.0	-62.49	340.47	7.91	-54.58
C[NH+](C)CCN1N=CC(C(=O)N2CCC[C@H](C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300001125384	0	53	0.0	-80.77	405.46	10.13	-70.64
O=C([O-])[C@H]1CCCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300001125408	0	50	0.0	-66.89	344.07	9.12	-57.77
O=C([O-])[C@H]1CCCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300001125408	1	50	0.0	-66.33	341.61	9.24	-57.09
O=C([O-])[C@H]1CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300001125409	0	51	0.0	-66.05	355.61	7.71	-58.34
CC[N@H+](CC1=CC=C(C(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1)C(C)C	REAL300001125431	0	52	0.0	-82.72	373.93	10.26	-72.46
CC[N@@H+](CC1=CC=C(C(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1)C(C)C	REAL300001125431	1	52	0.0	-63.96	369.01	10.12	-53.84
O=C([O-])[C@H]1CCCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001125452	0	47	0.0	-76.11	352.99	9.97	-66.14
O=C([O-])[C@H]1CCCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001125452	1	47	0.0	-74.89	353.60	9.97	-64.92
O=C([O-])[C@H]1CCCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300001125453	0	48	0.0	-84.83	357.15	9.38	-75.45
C[NH+]1CCN(C(C(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300001125474	1	52	0.0	-71.48	376.99	7.89	-63.59
O=C([O-])[C@H]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300001125475	0	51	0.0	-75.74	349.32	7.55	-68.19
CC(C(=O)N1CCC[C@H](C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300001125478	0	46	0.0	-71.48	344.97	9.57	-61.91
CC(C(=O)N1CCC[C@H](C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001125478	1	46	0.0	-71.09	345.30	9.58	-61.51
O=C([O-])[C@H]1CCCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300001125485	0	53	0.0	-58.46	394.34	11.55	-46.91
O=C([O-])[C@H]1CCCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300001125485	1	53	0.0	-78.72	394.30	11.55	-67.17
O=C([O-])[C@H]1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300001125522	1	51	0.0	-66.43	374.26	7.38	-59.05
CC[N@H+](C)C(C(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300001125523	0	46	0.0	-65.04	341.22	9.53	-55.51
CC[N@@H+](C)C(C(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300001125523	1	46	0.0	-64.73	340.23	9.56	-55.17
CC[NH+](CC)C(C(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300001125528	0	49	0.0	-67.02	350.46	10.18	-56.84
C[NH+](C)C(C(=O)N1CCC[C@H](C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001125531	1	43	0.0	-69.49	340.17	9.39	-60.10
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300001125545	0	47	0.0	-85.17	355.46	9.96	-75.21
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300001125551	0	50	0.0	-76.28	372.79	10.70	-65.58
CCN1CCC([NH+]2CCC(C(=O)N3CCC[C@H](C(=O)[O-])C3)CC2)CC1	REAL300001125557	0	58	0.0	-80.05	406.75	8.49	-71.56
CC1C[NH+](CC2=CC=C(C(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)CC(C)O1	REAL300001125563	1	54	0.0	-88.42	406.50	9.80	-78.62
O=C([O-])[C@H]1CCCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001125574	1	51	0.0	-82.89	376.10	9.67	-73.22
O=C([O-])[C@H]1CCCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001125574	1	51	0.0	-84.39	386.48	10.19	-74.20
O=C([O-])[C@H]1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300001125589	0	50	0.0	-69.81	361.74	10.43	-59.38
O=C([O-])[C@H]1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300001125589	1	50	0.0	-68.18	358.57	10.30	-57.88
CC1=C(C(=O)N2CCC[C@H](C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300001125591	1	41	0.0	-81.56	326.69	7.23	-74.33
O=C([O-])[C@H]1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300001125599	0	50	0.0	-85.22	372.78	10.71	-74.51
O=C([O-])[C@H]1CCCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300001125610	1	43	0.0	-71.04	334.60	8.12	-62.92
C[NH+](C)CCC1=CC=C(C(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300001125611	0	46	0.0	-87.61	352.87	9.68	-77.93
O=C([O-])[C@H]1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001125618	1	48	0.0	-77.80	354.80	9.27	-68.53
O=C([O-])[C@H]1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001125618	1	48	0.0	-84.76	362.14	9.43	-75.33
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300001125622	0	57	0.0	-66.79	413.92	10.99	-55.80
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300001125622	1	57	0.0	-66.07	412.53	11.04	-55.03
CC(C(=O)N1CCC[C@H](C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001125630	0	56	0.0	-68.42	408.31	12.05	-56.37
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300001125662	0	46	0.0	-74.58	351.76	10.08	-64.50
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300001125662	1	46	0.0	-74.66	351.70	10.07	-64.59
COCCOCC[N@H+](C)CCC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300001125663	0	50	0.0	-75.57	380.28	6.28	-69.29
COCCOCC[N@@H+](C)CCC(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300001125663	1	50	0.0	-76.99	380.37	6.30	-70.69
O=C([O-])[C@H]1CCCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300001125672	0	55	0.0	-81.34	406.49	9.82	-71.52
O=C([O-])[C@H]1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300001125673	1	49	0.0	-74.33	356.75	8.69	-65.64
O=C([O-])[C@H]1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300001125673	1	49	0.0	-71.35	364.22	9.01	-62.34
O=C([O-])[C@H]1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300001125674	1	49	0.0	-71.63	356.22	8.65	-62.98
O=C([O-])[C@H]1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300001125674	1	49	0.0	-68.38	364.33	8.92	-59.46
CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300001125701	0	51	0.0	-75.36	367.50	6.85	-68.51
CC(C)N1CC[NH+](CCC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300001125701	1	51	0.0	-75.93	367.32	6.88	-69.05
CC(C)[NH+]1CCN(CCCC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300001125702	0	54	0.0	-73.81	389.00	7.65	-66.16
CC(C)N1CC[NH+](CCCC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300001125702	1	54	0.0	-76.99	385.86	7.49	-69.50
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC[C@H](C(=O)[O-])C3)CC2)=C1	REAL300001125707	0	55	0.0	-80.08	406.32	9.67	-70.41
O=C([O-])[C@H]1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300001125708	0	52	0.0	-80.15	384.94	9.02	-71.13
O=C([O-])[C@H]1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300001125712	0	49	0.0	-71.41	358.89	9.02	-62.39
O=C([O-])[C@H]1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300001125712	1	49	0.0	-57.96	359.06	8.95	-49.01
CC(C(=O)N1CCC[C@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001125716	0	47	0.0	-70.12	348.83	9.97	-60.15
CC(C(=O)N1CCC[C@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001125716	1	47	0.0	-69.66	347.94	9.94	-59.72
CCC(CC)C(C(=O)N1CCC[C@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300001125728	1	53	0.0	-65.23	357.36	7.56	-57.67
O=C([O-])[C@H]1CCCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001125742	0	50	0.0	-81.39	377.78	10.92	-70.47
O=C([O-])[C@H]1CCCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001125742	1	50	0.0	-81.51	377.98	10.90	-70.61
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC[C@H](C(=O)[O-])C2)=NN1	REAL300001125757	1	44	0.0	-82.92	336.18	7.06	-75.86
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC[C@H](C(=O)[O-])C2)=NN1	REAL300001125757	1	44	0.0	-82.28	335.88	6.99	-75.29
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O=C([O-])[C@H]1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300001125767	1	50	0.0	-59.72	370.61	10.87	-48.85
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CC(C)C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001139316	0	46	0.0	-63.41	353.80	8.83	-54.58
CC(C)C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001139316	1	46	0.0	-63.74	355.60	8.93	-54.81
CC(C)C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300001139317	0	47	0.0	-71.66	351.37	8.12	-63.54
CC(C)C(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300001139335	0	50	0.0	-67.26	345.18	6.19	-61.07
CC(C)C(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001139342	0	52	0.0	-71.14	397.11	10.51	-60.63
CC(C)C(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001139342	1	52	0.0	-71.13	397.10	10.50	-60.63
CC(C)C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300001139376	0	46	0.0	-80.68	355.55	9.02	-71.66
CC(C)C(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300001139379	0	49	0.0	-74.60	373.18	9.79	-64.81
CCN1CCC([NH+]2CCC(C(=O)NC(C(=O)[O-])C(C)C)CC2)CC1	REAL300001139385	0	57	0.0	-72.38	399.46	6.94	-65.44
CC(C)C(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300001139390	1	53	0.0	-83.28	403.59	8.82	-74.46
CC(C)C(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001139399	1	50	0.0	-77.53	379.10	8.96	-68.57
CC(C)C(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001139399	1	50	0.0	-76.76	375.42	8.76	-68.00
CC1=C(C(=O)NC(C(=O)[O-])C(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300001139412	1	40	0.0	-79.51	329.23	6.33	-73.18
CC(C)C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300001139415	0	49	0.0	-80.53	366.95	9.53	-71.00
CC(C)C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001139426	1	47	0.0	-72.96	356.08	8.07	-64.89
CC(C)C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001139426	1	47	0.0	-54.54	357.49	8.31	-46.23
CC(C)C(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001139434	0	55	0.0	-58.61	401.97	10.55	-48.06
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C(C)C	REAL300001139451	0	49	0.0	-64.37	378.74	5.06	-59.31
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C(C)C	REAL300001139451	1	49	0.0	-66.45	381.64	5.08	-61.37
CC(C)C(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001139457	0	54	0.0	-70.91	404.90	8.58	-62.33
CC(C)C(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300001139473	0	53	0.0	-69.17	387.45	6.42	-62.75
CC(C)C(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300001139473	1	53	0.0	-69.00	386.62	6.21	-62.79
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C(=O)[O-])C(C)C)CC2)=C1	REAL300001139477	0	54	0.0	-69.28	407.67	8.45	-60.83
CC(C)C(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001139478	0	51	0.0	-69.10	386.27	7.79	-61.31
CC(C)C(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001139481	0	48	0.0	-68.67	365.18	7.62	-61.05
CC(C)C(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001139481	1	48	0.0	-62.57	358.25	7.76	-54.81
CC(C)C(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300001139484	1	46	0.0	-57.63	345.64	9.00	-48.63
CC(C)C(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300001139484	1	46	0.0	-59.39	344.16	8.78	-50.61
CC(C)C(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001139498	0	49	0.0	-73.29	373.58	9.46	-63.83
CC(C)C(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001139498	1	49	0.0	-71.11	375.13	9.64	-61.47
CC(C)C(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001139509	0	49	0.0	-67.29	370.41	9.67	-57.62
CC(C)C(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001139509	1	49	0.0	-60.66	369.13	9.75	-50.91
CC(C)C(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001139511	0	50	0.0	-67.89	382.07	7.23	-60.66
CC(C)C(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300001139524	1	49	0.0	-75.95	375.26	8.01	-67.94
CC(C)C(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300001139535	0	51	0.0	-71.25	384.71	7.21	-64.04
CC(C)C(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300001139536	0	51	0.0	-78.86	389.35	7.18	-71.68
CC(C)C(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300001139536	1	51	0.0	-81.13	383.78	7.02	-74.11
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300001139537	0	52	0.0	-78.32	387.19	8.65	-69.67
CC(C)C(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001139561	0	53	0.0	-83.27	401.99	7.11	-76.16
CC(C)C(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001139563	0	49	0.0	-65.47	374.61	9.64	-55.83
CC(C)C(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001139563	1	49	0.0	-65.46	374.52	9.64	-55.82
CC(C)C(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001139628	1	47	0.0	-81.87	362.06	8.14	-73.73
CC(C)C(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001139628	1	47	0.0	-81.70	361.69	8.13	-73.57
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C(C)C)CC2)[NH+]=C1	REAL300001139661	1	48	0.0	-70.22	367.49	7.52	-62.70
CC(C)C(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300001139664	0	54	0.0	-81.41	396.77	8.31	-73.10
CC(C)C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001139685	0	49	0.0	-73.84	373.46	9.35	-64.49
CC(C)C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001139685	1	49	0.0	-66.27	368.90	9.28	-56.99
CC(C)C(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001139698	0	50	0.0	-82.76	391.03	8.69	-74.07
CC(C)C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300001139707	0	46	0.0	-73.87	355.67	8.05	-65.82
CC(C)C(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001140102	0	46	0.0	-81.79	359.49	7.78	-74.01
CC(C)C(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001140146	0	52	0.0	-64.98	387.25	10.16	-54.82
CC(C)C(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001140148	1	50	0.0	-82.29	373.06	7.89	-74.40
CC(C)C(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001140148	1	50	0.0	-83.40	377.11	8.14	-75.26
O=C([O-])CCCNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001141176	0	46	0.0	-72.09	358.25	8.68	-63.41
O=C([O-])CCCNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300001142287	1	43	0.0	-65.74	359.08	8.71	-57.03
O=C([O-])CCCNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300001142287	1	43	0.0	-62.75	351.97	8.13	-54.62
O=C([O-])CCCNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300001142329	0	46	0.0	-62.97	353.08	8.17	-54.80
CC1=NC(C[NH+]2CCC(C(=O)NCCCC(=O)[O-])CC2)=CS1	REAL300001142361	1	45	0.0	-70.97	365.97	6.49	-64.48
C[NH+](C)CCOC1=CC=C(CCC(=O)NCCCC(=O)[O-])C=C1	REAL300001142393	0	49	0.0	-71.99	391.50	8.25	-63.74
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCCC(=O)[O-])=C1	REAL300001142398	0	49	0.0	-75.00	392.30	10.57	-64.43
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCCC(=O)[O-])=C1	REAL300001142398	1	49	0.0	-74.53	392.31	10.58	-63.95
CC1(C(=O)NCCCC(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300001142399	0	49	0.0	-64.05	371.18	9.14	-54.91
O=C([O-])CCCNC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001142425	0	46	0.0	-66.01	372.85	8.86	-57.15
O=C([O-])CCCNC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001142425	1	46	0.0	-66.69	375.21	8.91	-57.78
O=C([O-])CCCNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300001142453	1	46	0.0	-63.76	362.52	8.72	-55.04
O=C([O-])CCCNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300001142453	1	46	0.0	-63.84	362.48	8.71	-55.13
O=C([O-])CCCNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300001142454	1	43	0.0	-66.71	348.75	8.26	-58.45
O=C([O-])CCCNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300001142454	1	43	0.0	-63.59	341.64	7.68	-55.91
C[NH+](C)CCN1N=CC(C(=O)NCCCC(=O)[O-])=C1C1=CC=CC=C1	REAL300001142493	0	49	0.0	-75.15	390.73	8.24	-66.91
CC[N@H+](CC1=CC=C(C(=O)NCCCC(=O)[O-])C=C1)C(C)C	REAL300001142519	0	48	0.0	-70.87	364.13	8.59	-62.28
CC[N@@H+](CC1=CC=C(C(=O)NCCCC(=O)[O-])C=C1)C(C)C	REAL300001142519	1	48	0.0	-70.93	354.94	8.16	-62.77
O=C([O-])CCCNC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001142533	0	44	0.0	-73.64	337.26	7.13	-66.51
C[NH+]1CCN(C(C(=O)NCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300001142550	1	48	0.0	-66.20	370.85	6.79	-59.41
O=C([O-])CCCNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001142556	0	49	0.0	-69.90	381.09	9.55	-60.35
O=C([O-])CCCNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001142556	1	49	0.0	-69.89	381.10	9.55	-60.34
O=C([O-])CCCNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300001142585	1	47	0.0	-60.76	365.35	5.43	-55.33
O=C([O-])CCCNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001142598	0	46	0.0	-69.90	357.16	8.83	-61.07
CCN1CCC([NH+]2CCC(C(=O)NCCCC(=O)[O-])CC2)CC1	REAL300001142603	0	54	0.0	-69.08	392.30	6.44	-62.64
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCCCC(=O)[O-])=C1	REAL300001142605	0	56	0.0	-73.26	441.38	12.20	-61.06
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCCCC(=O)[O-])=C1	REAL300001142605	1	56	0.0	-74.78	439.63	11.95	-62.83
CC1C[NH+](CC2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)CC(C)O1	REAL300001142609	1	50	0.0	-76.86	390.43	7.87	-68.99
O=C([O-])CCCNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001142619	1	47	0.0	-75.90	364.98	7.98	-67.92
O=C([O-])CCCNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001142619	1	47	0.0	-74.49	371.77	8.03	-66.46
O=C([O-])CCCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300001142632	0	46	0.0	-59.75	356.12	8.64	-51.11
O=C([O-])CCCNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300001142632	1	46	0.0	-60.69	346.63	8.49	-52.20
O=C([O-])CCCNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001142635	0	46	0.0	-74.16	356.85	8.79	-65.37
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCCCC(=O)[O-]	REAL300001142642	0	56	0.0	-71.77	432.56	11.58	-60.19
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCCCC(=O)[O-]	REAL300001142642	1	56	0.0	-70.36	431.69	11.71	-58.65
O=C([O-])CCCNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001142645	1	44	0.0	-67.45	344.40	7.36	-60.09
O=C([O-])CCCNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001142645	1	44	0.0	-67.51	344.51	7.36	-60.15
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCCCC(=O)[O-]	REAL300001142646	0	53	0.0	-63.80	401.63	10.33	-53.47
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCCCC(=O)[O-]	REAL300001142646	1	53	0.0	-62.32	394.45	10.05	-52.27
CC(C(=O)NCCCC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001142653	0	52	0.0	-61.94	390.29	9.84	-52.10
O=C([O-])CCCNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001142672	0	51	0.0	-72.28	391.74	7.64	-64.64
O=C([O-])CCCNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300001142673	1	45	0.0	-64.11	351.10	6.88	-57.23
O=C([O-])CCCNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300001142673	1	45	0.0	-64.02	351.08	6.89	-57.13
O=C([O-])CCCNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300001142674	1	45	0.0	-61.65	350.98	6.79	-54.86
O=C([O-])CCCNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300001142674	1	45	0.0	-62.99	341.53	6.73	-56.26
CC1=CC=CC(N2CC[NH+](CCC(=O)NCCCC(=O)[O-])CC2)=C1	REAL300001142689	0	51	0.0	-70.98	391.64	7.50	-63.48
O=C([O-])CCCNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001142690	0	48	0.0	-70.98	370.24	6.83	-64.15
O=C([O-])CCCNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300001142692	0	45	0.0	-69.92	353.52	6.92	-63.00
O=C([O-])CCCNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300001142692	1	45	0.0	-65.75	347.14	7.03	-58.72
CCC(CC)C(C(=O)NCCCC(=O)[O-])[NH+]1CCOCC1	REAL300001142700	1	49	0.0	-59.46	348.13	6.35	-53.11
O=C([O-])CCCNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001142714	0	46	0.0	-70.73	360.51	8.64	-62.09
O=C([O-])CCCNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001142714	1	46	0.0	-71.36	362.26	8.73	-62.63
O=C([O-])CCCNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300001142727	0	46	0.0	-69.93	364.99	8.75	-61.18
O=C([O-])CCCNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300001142727	1	46	0.0	-65.15	358.69	8.95	-56.20
O=C([O-])CCCNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300001142729	0	47	0.0	-70.73	367.97	6.25	-64.48
CN1C=CN=C1C[NH+]1CCC(C(=O)NCCCC(=O)[O-])CC1	REAL300001142743	1	46	0.0	-75.81	354.97	6.93	-68.88
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CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300001146914	1	52	0.0	-79.30	389.46	8.19	-71.11
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001146915	0	53	0.0	-74.90	396.20	10.00	-64.90
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C[NH+](C)CC1=C(C(=O)N2CCC(C(=O)[O-])CC2)OC2=CC=CC=C21	REAL300001147047	0	46	0.0	-59.00	354.50	9.40	-49.60
CC[NH+](CC)C(C(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300001147049	0	52	0.0	-70.81	386.90	10.82	-59.99
O=C([O-])C1CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)CC1	REAL300001147073	1	48	0.0	-58.47	360.98	10.40	-48.07
CC(C)C(C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CC(C)OC(C)C1	REAL300001147074	1	53	0.0	-63.19	366.51	8.27	-54.92
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])CC3)=CC=C1N2	REAL300001147096	1	48	0.0	-76.39	367.03	9.29	-67.10
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])CC3)=CC=C1N2	REAL300001147096	1	48	0.0	-81.02	365.51	9.25	-71.77
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)O1	REAL300001147146	0	46	0.0	-71.38	350.60	8.84	-62.54
CC1=CC=C(N2CCC(C(=O)N3CCC(C(=O)[O-])CC3)CC2)[NH+]=C1	REAL300001147148	1	49	0.0	-68.93	365.21	8.61	-60.32
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300001147151	0	55	0.0	-75.28	400.04	9.27	-66.01
O=C([O-])C1CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300001147160	1	38	0.0	-74.89	309.24	6.78	-68.11
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])CC1	REAL300001147191	0	50	0.0	-76.52	373.04	10.49	-66.03
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])CC1	REAL300001147191	1	50	0.0	-74.73	373.56	10.53	-64.20
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001147207	0	51	0.0	-77.46	393.15	10.13	-67.33
O=C([O-])C1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300001147223	0	47	0.0	-71.44	355.38	9.22	-62.22
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300001147249	0	49	0.0	-73.36	364.81	8.82	-64.54
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300001147249	1	49	0.0	-70.89	362.81	8.67	-62.22
O=C([O-])C1CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300001147442	0	51	0.0	-76.29	375.51	10.86	-65.43
O=C([O-])C1CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300001147442	1	51	0.0	-65.50	376.29	10.79	-54.71
O=C([O-])C1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300001147470	1	50	0.0	-69.42	369.07	10.56	-58.86
O=C([O-])C1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300001147470	1	50	0.0	-61.31	375.45	10.85	-50.46
C[N@@H+]1CC(C(=O)N2CCC(C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300001147533	0	40	0.0	-76.24	311.95	7.18	-69.06
C[N@H+]1CC(C(=O)N2CCC(C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300001147533	1	40	0.0	-77.62	312.88	7.23	-70.39
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300001147890	0	46	0.0	-71.19	352.97	9.68	-61.51
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001147894	0	47	0.0	-77.53	360.92	8.69	-68.84
O=C([O-])C1CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300001147959	0	53	0.0	-72.22	391.55	11.64	-60.58
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CCO1	REAL300001147961	1	51	0.0	-80.23	383.93	9.04	-71.19
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CCO1	REAL300001147961	1	51	0.0	-81.57	384.68	9.08	-72.49
O=C([O-])C1(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300001149038	0	50	0.0	-77.16	372.27	10.39	-66.77
CC1=NC(C[NH+]2CCC(C(=O)NC3(C(=O)[O-])CCCC3)CC2)=CS1	REAL300001150268	1	49	0.0	-73.09	379.56	8.47	-64.62
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300001150313	0	53	0.0	-82.64	404.92	9.94	-72.70
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300001150318	0	53	0.0	-82.02	405.71	12.28	-69.74
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300001150318	1	53	0.0	-81.00	405.65	12.28	-68.72
O=C([O-])C1(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCCC1	REAL300001150429	0	43	0.0	-86.46	340.64	7.86	-78.60
O=C([O-])C1(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CCCC1	REAL300001150447	0	51	0.0	-79.84	363.17	7.49	-72.35
CC[N@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2)C=C1)C(C)C	REAL300001150465	0	52	0.0	-83.29	374.56	10.17	-73.12
CC[N@@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2)C=C1)C(C)C	REAL300001150465	1	52	0.0	-83.47	369.22	9.90	-73.57
O=C([O-])C1(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300001150480	0	47	0.0	-68.05	354.54	9.57	-58.48
O=C([O-])C1(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300001150480	1	47	0.0	-68.98	356.18	9.68	-59.30
O=C([O-])C1(NC(=O)C2CC[NH+](C3CCSC3)CC2)CCCC1	REAL300001150481	0	48	0.0	-80.82	351.25	8.85	-71.97
O=C(CC1([NH+]2CCOCC2)CCCC1)NC1(C(=O)[O-])CCCC1	REAL300001150502	0	51	0.0	-69.36	347.64	6.84	-62.52
CC(C(=O)NC1(C(=O)[O-])CCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300001150505	0	46	0.0	-64.73	346.53	9.18	-55.55
CC(C(=O)NC1(C(=O)[O-])CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300001150505	1	46	0.0	-64.40	346.41	9.16	-55.24
O=C([O-])C1(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCCC1	REAL300001150511	0	53	0.0	-55.29	386.39	11.33	-43.96
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCCC1	REAL300001150511	1	53	0.0	-73.09	395.06	11.30	-61.79
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCCC1	REAL300001150546	0	47	0.0	-85.50	354.39	9.87	-75.63
O=C([O-])C1(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCCC1	REAL300001150550	0	50	0.0	-75.51	371.14	10.57	-64.94
CCN1CCC([NH+]2CCC(C(=O)NC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300001150556	0	58	0.0	-72.12	402.35	7.94	-64.18
CC1C[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCC3)C=C2)CC(C)O1	REAL300001150562	1	54	0.0	-88.33	404.46	9.60	-78.73
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NC1(C(=O)[O-])CCCC1	REAL300001150572	1	51	0.0	-77.68	385.68	9.50	-68.18
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NC1(C(=O)[O-])CCCC1	REAL300001150572	1	51	0.0	-80.90	378.96	9.43	-71.47
CC1=C(C(=O)NC2(C(=O)[O-])CCCC2)C=NN1C1=CC=[NH+]C=C1	REAL300001150586	1	41	0.0	-81.80	325.54	7.05	-74.75
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCCC1	REAL300001150589	0	50	0.0	-86.85	370.83	10.53	-76.32
O=C([O-])C1(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCCC1	REAL300001150599	1	43	0.0	-79.80	335.88	7.47	-72.33
C[NH+](C)CCC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300001150600	0	46	0.0	-90.63	352.07	9.56	-81.07
O=C([O-])C1(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCCC1	REAL300001150603	1	48	0.0	-83.42	365.53	8.87	-74.55
O=C([O-])C1(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCCC1	REAL300001150603	1	48	0.0	-78.38	358.42	8.68	-69.70
CC(C(=O)NC1(C(=O)[O-])CCCC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001150611	0	56	0.0	-63.50	402.14	11.43	-52.07
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCCC1	REAL300001150637	0	46	0.0	-62.74	350.58	9.56	-53.18
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCCC1	REAL300001150637	1	46	0.0	-62.91	350.57	9.55	-53.36
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CCCC1	REAL300001150638	0	50	0.0	-68.64	379.06	5.82	-62.82
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CCCC1	REAL300001150638	1	50	0.0	-70.50	379.62	5.84	-64.66
O=C([O-])C1(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCC1	REAL300001150644	0	55	0.0	-75.32	405.15	9.34	-65.98
CC(C)[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300001150668	0	51	0.0	-74.74	366.78	6.38	-68.36
CC(C)N1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300001150668	1	51	0.0	-67.58	363.03	6.20	-61.38
CC(C)[NH+]1CCN(CCCC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300001150669	0	54	0.0	-73.92	383.18	6.82	-67.10
CC(C)N1CC[NH+](CCCC(=O)NC2(C(=O)[O-])CCCC2)CC1	REAL300001150669	1	54	0.0	-71.15	384.21	6.97	-64.18
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CC(C(=O)N1CCCCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300001158326	1	47	0.0	-51.05	338.01	10.08	-40.97
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C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCCC(=O)[O-])=CC=C1N2	REAL300001163824	1	41	0.0	-78.10	328.89	6.63	-71.47
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCCC(=O)[O-])=CC=C1N2	REAL300001163824	1	41	0.0	-77.90	329.09	6.59	-71.31
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCCC(=O)[O-])C=C2)CC1	REAL300001163843	0	48	0.0	-77.81	362.11	6.55	-71.26
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCCC(=O)[O-])C=C1	REAL300001163864	0	44	0.0	-78.22	358.43	7.17	-71.05
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCCC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300001163879	0	42	0.0	-69.90	329.92	5.93	-63.97
CC(C)(C)[N@H+]1C[C@H](C(=O)NCCC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300001163879	1	42	0.0	-64.35	328.81	5.98	-58.37
O=C([O-])CCNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300001163950	0	44	0.0	-71.41	345.46	8.20	-63.21
O=C([O-])CCNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300001163950	1	44	0.0	-75.29	346.69	8.13	-67.16
O=C([O-])CCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300001163964	1	43	0.0	-61.18	341.04	7.92	-53.26
O=C([O-])CCNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300001163964	1	43	0.0	-62.42	331.55	7.77	-54.65
O=C([O-])CCNC(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300001164139	0	51	0.0	-82.72	400.97	7.89	-74.83
O=C([O-])CCNC(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300001164139	1	51	0.0	-85.90	400.48	7.67	-78.23
O=C([O-])CCNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001164153	0	46	0.0	-68.40	355.65	8.64	-59.76
CC1C[N@H+](CC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)CCO1	REAL300001164154	1	44	0.0	-80.55	341.45	6.36	-74.19
CC1C[N@@H+](CC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)CCO1	REAL300001164154	1	44	0.0	-80.66	341.51	6.36	-74.30
CC(C)(C)[N@@H+]1CC[C@H](C(=O)NCCC(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300001164177	0	52	0.0	-62.85	376.90	9.08	-53.77
CC(C)(C)[N@H+]1CC[C@H](C(=O)NCCC(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300001164177	1	52	0.0	-78.74	391.75	9.17	-69.57
CC1CC2=CC=CC=C2N1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001164270	0	44	0.0	-44.03	328.41	9.84	-34.19
CC1CC2=CC=CC=C2N1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001164270	1	44	0.0	-44.26	322.94	9.87	-34.39
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3=CC=CC=C32)C1	REAL300001164315	0	44	0.0	-50.14	327.93	9.96	-40.18
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3=CC=CC=C32)C1	REAL300001164315	1	44	0.0	-51.32	321.23	9.94	-41.38
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C3OCOC3=C2)C1	REAL300001164402	0	43	0.0	-52.51	342.79	6.08	-46.43
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C3OCOC3=C2)C1	REAL300001164402	1	43	0.0	-49.60	336.56	6.06	-43.54
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC=CC=C3C2)C1	REAL300001164566	0	44	0.0	-48.81	333.05	9.65	-39.16
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=CC=C3C2)C1	REAL300001164566	1	44	0.0	-47.62	333.17	9.64	-37.98
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(Cl)C=C2)C1	REAL300001164685	0	40	0.0	-49.56	333.43	7.94	-41.62
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(Cl)C=C2)C1	REAL300001164685	1	40	0.0	-47.62	327.23	7.92	-39.70
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2)CC2=CC=CC=C2)C1	REAL300001164871	0	53	0.0	-48.03	409.61	13.23	-34.80
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2)CC2=CC=CC=C2)C1	REAL300001164871	1	53	0.0	-48.35	403.60	13.23	-35.12
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300001165088	1	43	0.0	-56.21	326.79	3.75	-52.46
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300001165088	1	43	0.0	-60.36	327.53	4.23	-56.13
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(Br)C=C2)C1	REAL300001165279	0	37	0.0	-51.88	311.90	7.94	-43.94
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(Br)C=C2)C1	REAL300001165279	1	37	0.0	-50.75	305.84	7.95	-42.80
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(Br)=C2)C1	REAL300001165405	0	37	0.0	-48.80	306.05	7.93	-40.87
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(Br)=C2)C1	REAL300001165405	1	37	0.0	-50.08	311.53	7.91	-42.17
CCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001165754	0	44	0.0	-50.58	335.91	7.54	-43.04
CCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001165754	1	44	0.0	-52.16	342.25	7.51	-44.65
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300001165826	1	39	0.0	-52.23	312.96	7.98	-44.25
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300001165826	1	39	0.0	-55.68	318.16	7.97	-47.71
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300001165975	1	42	0.0	-59.24	336.85	8.62	-50.62
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300001165975	1	42	0.0	-62.70	328.46	8.51	-54.19
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001166076	1	42	0.0	-58.04	335.96	8.80	-49.24
CC1=CC=C([N+](=O)[O-])C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001166076	1	42	0.0	-61.99	330.47	8.84	-53.15
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(Cl)C(Cl)=C2)C1	REAL300001166186	1	37	0.0	-50.47	316.66	8.29	-42.18
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(Cl)C(Cl)=C2)C1	REAL300001166186	1	37	0.0	-52.21	322.16	8.26	-43.95
CC1=CC(C)=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001166258	0	46	0.0	-49.11	345.77	9.73	-39.38
CC1=CC(C)=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001166258	1	46	0.0	-46.27	341.75	9.17	-37.10
CSC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001166430	0	41	0.0	-50.05	330.45	8.31	-41.74
CSC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001166430	1	41	0.0	-53.52	324.96	8.33	-45.19
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001166504	0	40	0.0	-51.32	325.41	8.41	-42.91
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001166504	1	40	0.0	-52.52	319.95	8.43	-44.09
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC3=CC=CC=C32)C1	REAL300001166578	0	43	0.0	-50.86	327.07	9.72	-41.14
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC3=CC=CC=C32)C1	REAL300001166578	1	43	0.0	-50.71	333.51	9.72	-40.99
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC3=CC=CC=C3C=C2)C1	REAL300001166652	0	43	0.0	-51.14	330.93	9.58	-41.56
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC3=CC=CC=C3C=C2)C1	REAL300001166652	1	43	0.0	-51.06	336.43	9.56	-41.50
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C(F)(F)F)=C2)C1	REAL300001166808	0	40	0.0	-52.68	323.82	8.32	-44.36
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C(F)(F)F)=C2)C1	REAL300001166808	1	40	0.0	-51.08	328.66	8.30	-42.78
COC1=CC=C(Cl)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001166913	1	41	0.0	-49.20	334.69	7.22	-41.98
COC1=CC=C(Cl)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001166913	1	41	0.0	-49.16	330.03	7.25	-41.91
COC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300001167039	1	49	0.0	-55.62	376.45	6.47	-49.15
COC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300001167039	1	49	0.0	-53.76	375.43	5.97	-47.79
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001167158	0	55	0.0	-47.69	397.03	11.36	-36.33
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001167158	1	55	0.0	-49.37	405.60	11.42	-37.95
CC(C)(C)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001167255	0	49	0.0	-48.85	366.88	9.62	-39.23
CC(C)(C)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001167255	1	49	0.0	-49.65	367.05	9.61	-40.04
CC(=O)NC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001167354	0	44	0.0	-56.27	346.14	6.19	-50.08
CC(=O)NC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001167354	1	44	0.0	-54.39	340.62	6.22	-48.17
CC1=CC(Cl)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001167438	0	40	0.0	-48.30	318.21	8.24	-40.06
CC1=CC(Cl)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001167438	1	40	0.0	-50.84	319.00	8.68	-42.16
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300001167546	0	48	0.0	-52.95	379.42	10.16	-42.79
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300001167546	1	48	0.0	-52.23	374.73	10.18	-42.05
CC1=C(Cl)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001167669	0	40	0.0	-50.66	321.81	8.57	-42.09
CC1=C(Cl)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001167669	1	40	0.0	-49.22	316.35	8.60	-40.62
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CC3=CC=CC=C3)CC2)C1	REAL300001167790	0	53	0.0	-44.02	385.26	11.25	-32.77
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CC3=CC=CC=C3)CC2)C1	REAL300001167790	1	53	0.0	-46.83	392.74	11.70	-35.13
O=C([O-])C1CCC[N@H+](CC(=O)NNC2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300001167969	1	39	0.0	-46.63	346.99	8.76	-37.87
O=C([O-])C1CCC[N@@H+](CC(=O)NNC2=C(Cl)C=C(Cl)C=C2Cl)C1	REAL300001167969	1	39	0.0	-45.22	346.18	8.32	-36.90
COC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001168258	0	44	0.0	-47.43	340.00	6.70	-40.73
COC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001168258	1	44	0.0	-49.18	346.21	6.72	-42.46
CCN1C2=CC=CC=C2N=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001168398	0	46	0.0	-57.58	360.76	11.36	-46.22
CCN1C2=CC=CC=C2N=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001168398	1	46	0.0	-58.42	361.94	11.40	-47.02
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2OC2=CC=CC=C2)C1	REAL300001168619	0	51	0.0	-48.32	404.01	10.21	-38.11
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2OC2=CC=CC=C2)C1	REAL300001168619	1	51	0.0	-48.82	399.82	10.33	-38.49
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C(=O)NC3=CC=CC=C3)C=C2)C1	REAL300001168742	0	51	0.0	-60.52	402.64	9.32	-51.20
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C(=O)NC3=CC=CC=C3)C=C2)C1	REAL300001168742	1	51	0.0	-55.30	396.60	9.37	-45.93
COCCOC1=CC=C(F)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001168922	1	48	0.0	-50.21	380.66	6.98	-43.23
COCCOC1=CC=C(F)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001168922	1	48	0.0	-50.51	375.21	6.99	-43.52
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CCSCC1	REAL300001168992	0	44	0.0	-50.66	338.55	7.57	-43.09
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1CCSCC1	REAL300001168992	1	44	0.0	-50.09	337.96	7.55	-42.54
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=C(F)C=CC=C3F)CC2)C1	REAL300001169149	0	51	0.0	-53.69	394.94	8.95	-44.74
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=C(F)C=CC=C3F)CC2)C1	REAL300001169149	1	51	0.0	-56.55	402.37	9.40	-47.15
CN(C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1)C1CCCCC1	REAL300001169256	0	61	0.0	-46.22	441.55	11.13	-35.09
CN(C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1)C1CCCCC1	REAL300001169256	1	61	0.0	-47.32	447.78	11.15	-36.17
CC(C)N1N=CC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C21	REAL300001169378	0	49	0.0	-51.96	374.43	8.35	-43.61
CC(C)N1N=CC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C21	REAL300001169378	1	49	0.0	-54.62	375.53	8.78	-45.84
CC1=CC=CC=C1C(C)(C)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001169506	0	52	0.0	-49.27	376.58	9.52	-39.75
CC1=CC=CC=C1C(C)(C)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001169506	1	52	0.0	-46.27	367.89	9.13	-37.14
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300001169631	0	49	0.0	-49.93	383.23	9.75	-40.18
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300001169631	1	49	0.0	-50.31	383.13	9.77	-40.54
CC1=CC=CC(C(C)(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001169759	0	52	0.0	-48.91	387.91	9.91	-39.00
CC1=CC=CC(C(C)(C)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001169759	1	52	0.0	-45.96	379.68	9.46	-36.50
COC1=CC=CC=C1C(C)(C)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001169884	0	53	0.0	-48.99	390.98	8.91	-40.08
COC1=CC=CC=C1C(C)(C)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001169884	1	53	0.0	-49.58	390.86	8.93	-40.65
NC(=O)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Br)=C1	REAL300001169991	1	44	0.0	-50.93	370.65	5.10	-45.83
NC(=O)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Br)=C1	REAL300001169991	1	44	0.0	-47.68	365.13	5.12	-42.56
CC(=O)NC1=CC=C(Cl)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001170082	1	44	0.0	-58.02	361.29	7.02	-51.00
CC(=O)NC1=CC=C(Cl)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001170082	1	44	0.0	-56.86	353.78	7.07	-49.79
CC1=CC=C(OCCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001170200	0	50	0.0	-50.01	388.93	8.43	-41.58
CC1=CC=C(OCCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001170200	1	50	0.0	-50.64	389.58	8.45	-42.19
COC1=CC(C)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001170277	1	44	0.0	-46.04	333.06	6.98	-39.06
COC1=CC(C)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001170277	1	44	0.0	-47.30	333.88	7.42	-39.88
CCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001170378	0	48	0.0	-53.99	370.83	7.40	-46.59
CCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001170378	1	48	0.0	-53.32	365.34	7.43	-45.89
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC=CC(Cl)=C3)CC2)C1	REAL300001170492	0	51	0.0	-58.85	396.73	9.84	-49.01
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC=CC(Cl)=C3)CC2)C1	REAL300001170492	1	51	0.0	-55.17	402.84	9.67	-45.50
O=C([O-])C1CCC[N@H+](CC(=O)NCCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300001170605	0	48	0.0	-57.83	392.95	3.77	-54.06
O=C([O-])C1CCC[N@@H+](CC(=O)NCCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300001170605	1	48	0.0	-57.04	392.31	3.75	-53.29
O=C([O-])C1CCC[N@H+](CC(=O)NCCSC2=CC=CC=C2)C1	REAL300001170757	0	44	0.0	-51.68	357.00	8.64	-43.04
O=C([O-])C1CCC[N@@H+](CC(=O)NCCSC2=CC=CC=C2)C1	REAL300001170757	1	44	0.0	-51.01	356.36	8.61	-42.40
COC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300001170878	0	52	0.0	-52.39	402.40	6.52	-45.87
COC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300001170878	1	52	0.0	-52.21	400.49	6.08	-46.13
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2F)C2CC2)C1	REAL300001170993	0	47	0.0	-43.91	360.81	10.88	-33.03
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2F)C2CC2)C1	REAL300001170993	1	47	0.0	-44.62	349.54	10.56	-34.06
CCC1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=C1	REAL300001171098	0	55	0.0	-47.43	407.39	10.76	-36.67
CCC1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=C1	REAL300001171098	1	55	0.0	-46.77	402.78	10.91	-35.86
CC(C)C1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=C1	REAL300001171208	0	58	0.0	-47.36	424.77	11.26	-36.10
CC(C)C1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=C1	REAL300001171208	1	58	0.0	-47.32	419.23	11.28	-36.04
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=NC3=CC=CC=C3N2)C1	REAL300001171323	0	46	0.0	-53.19	356.34	6.43	-46.76
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=NC3=CC=CC=C3N2)C1	REAL300001171323	1	46	0.0	-58.60	358.24	6.87	-51.73
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2O1	REAL300001171442	0	46	0.0	-47.42	357.62	8.32	-39.10
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2O1	REAL300001171442	1	46	0.0	-47.70	358.46	8.78	-38.92
CC1=NN(C2=CC=CC=C2)C(C)=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001171565	0	53	0.0	-50.76	405.84	9.45	-41.31
CC1=NN(C2=CC=CC=C2)C(C)=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001171565	1	53	0.0	-52.85	412.98	9.50	-43.35
COC1=CC=C(OC)C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001171691	0	51	0.0	-48.66	384.78	6.96	-41.70
COC1=CC=C(OC)C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001171691	1	51	0.0	-48.74	384.85	6.97	-41.77
CC(=O)N1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001171785	0	47	0.0	-56.99	347.33	5.88	-51.11
CC(=O)N1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001171785	1	47	0.0	-55.37	354.91	5.97	-49.40
CC(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300001171959	0	55	0.0	-51.57	408.98	8.46	-43.11
CC(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300001171959	1	55	0.0	-52.51	411.01	8.61	-43.90
NC(=O)CSC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001172060	1	45	0.0	-52.42	358.51	4.93	-47.49
NC(=O)CSC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001172060	1	45	0.0	-51.29	360.24	5.39	-45.90
COC1=CC=C(CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1	REAL300001172168	0	51	0.0	-52.15	379.28	10.17	-41.98
COC1=CC=C(CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1	REAL300001172168	1	51	0.0	-48.33	379.59	10.02	-38.31
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=NC3=CC=CC=C3S2)C1	REAL300001172315	0	45	0.0	-54.23	369.87	7.63	-46.60
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=NC3=CC=CC=C3S2)C1	REAL300001172315	1	45	0.0	-53.44	363.66	7.61	-45.83
CN(CC1=NC2=CC=CC=C2S1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001172444	0	45	0.0	-47.47	359.98	8.92	-38.55
CN(CC1=NC2=CC=CC=C2S1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001172444	1	45	0.0	-50.72	366.46	8.96	-41.76
COC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300001172579	0	48	0.0	-52.04	379.00	6.88	-45.16
COC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300001172579	1	48	0.0	-53.71	385.21	6.90	-46.81
O=C([O-])C1CCC[N@H+](CC(=O)NCCNC2=CC=CC=C2[N+](=O)[O-])C1	REAL300001172704	0	47	0.0	-58.39	374.73	7.24	-51.15
O=C([O-])C1CCC[N@@H+](CC(=O)NCCNC2=CC=CC=C2[N+](=O)[O-])C1	REAL300001172704	1	47	0.0	-57.37	376.65	7.24	-50.13
CCC(C)C1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=C1	REAL300001172823	0	61	0.0	-47.22	443.22	11.92	-35.30
CCC(C)C1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=C1	REAL300001172823	1	61	0.0	-47.67	443.82	11.93	-35.74
CC(C)CC1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=C1	REAL300001172927	0	61	0.0	-47.32	446.47	12.12	-35.20
CC(C)CC1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=C1	REAL300001172927	1	61	0.0	-48.01	446.89	12.21	-35.80
CCCCC1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=C1	REAL300001173031	0	61	0.0	-47.21	450.43	12.33	-34.88
CCCCC1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=C1	REAL300001173031	1	61	0.0	-46.69	445.75	12.46	-34.23
COC1=CC=C(C)C=C1CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001173144	0	50	0.0	-45.34	372.91	9.67	-35.67
COC1=CC=C(C)C=C1CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001173144	1	50	0.0	-46.70	377.83	10.68	-36.02
CCOC1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001173261	0	54	0.0	-51.07	403.47	11.05	-40.02
CCOC1=CC=C(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001173261	1	54	0.0	-49.74	409.74	11.08	-38.66
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300001173377	0	49	0.0	-52.56	395.60	7.92	-44.64
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300001173377	1	49	0.0	-51.48	389.46	7.88	-43.60
COC1=CC=C(C)C=C1C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001173497	0	50	0.0	-50.31	376.78	8.38	-41.93
COC1=CC=C(C)C=C1C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001173497	1	50	0.0	-50.31	376.77	8.34	-41.97
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(N3CCCC3=O)=C2)C1	REAL300001173623	0	48	0.0	-51.50	362.54	8.44	-43.06
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(N3CCCC3=O)=C2)C1	REAL300001173623	1	48	0.0	-52.66	367.34	8.42	-44.24
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C(=O)NCC3=CC=CC=C3)CC2)C1	REAL300001173749	0	57	0.0	-50.65	426.10	9.06	-41.59
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C(=O)NCC3=CC=CC=C3)CC2)C1	REAL300001173749	1	57	0.0	-54.76	433.60	9.51	-45.25
CC(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CS1	REAL300001173852	0	46	0.0	-44.40	350.06	8.02	-36.38
CC(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CS1	REAL300001173852	1	46	0.0	-45.47	350.86	8.48	-36.99
CC1=C2C(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CNC2=CC=C1	REAL300001173965	0	50	0.0	-53.24	376.78	8.60	-44.64
CC1=C2C(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CNC2=CC=C1	REAL300001173965	1	50	0.0	-49.40	374.59	8.12	-41.28
CC(C)(C)CN(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001174095	0	55	0.0	-44.33	400.66	12.03	-32.30
CC(C)(C)CN(CC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001174095	1	55	0.0	-41.56	388.26	11.45	-30.11
CC(CC1=CC=CS1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001174189	0	43	0.0	-48.20	347.62	8.24	-39.96
CC(CC1=CC=CS1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001174189	1	43	0.0	-45.91	342.55	8.20	-37.71
CN1C(=O)CCC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300001174330	0	48	0.0	-56.82	366.67	8.22	-48.60
CN1C(=O)CCC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300001174330	1	48	0.0	-55.15	361.45	8.23	-46.92
COC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC1CCCC1	REAL300001174454	0	58	0.0	-50.36	433.80	9.47	-40.89
COC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC1CCCC1	REAL300001174454	1	58	0.0	-52.53	440.01	9.50	-43.03
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=C(Cl)C=C2)C2CCCC2)C1	REAL300001174652	0	53	0.0	-49.24	398.02	11.13	-38.11
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=C(Cl)C=C2)C2CCCC2)C1	REAL300001174652	1	53	0.0	-49.63	403.44	11.10	-38.53
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=C(F)C=C2)C2CCC2)C1	REAL300001174753	0	50	0.0	-49.02	375.95	10.28	-38.74
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=C(F)C=C2)C2CCC2)C1	REAL300001174753	1	50	0.0	-49.92	381.22	10.27	-39.65
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=C(Cl)C=C2)C2CCC2)C1	REAL300001174862	0	50	0.0	-48.23	386.28	10.73	-37.50
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=C(Cl)C=C2)C2CCC2)C1	REAL300001174862	1	50	0.0	-49.23	391.54	10.72	-38.51
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=COC=C3)CC2)C1	REAL300001174979	0	48	0.0	-57.25	360.94	7.38	-49.87
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=COC=C3)CC2)C1	REAL300001174979	1	48	0.0	-56.40	367.11	7.23	-49.17
COC1=CC=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCCC2=C1	REAL300001175109	0	51	0.0	-49.26	376.44	9.58	-39.68
COC1=CC=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCCC2=C1	REAL300001175109	1	51	0.0	-45.68	368.95	9.12	-36.56
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300001175237	0	49	0.0	-50.78	372.15	9.29	-41.49
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300001175237	1	49	0.0	-47.85	365.43	8.86	-38.99
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(N3CCCC3=O)CC2)C1	REAL300001175357	0	51	0.0	-49.16	367.21	7.86	-41.30
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(N3CCCC3=O)CC2)C1	REAL300001175357	1	51	0.0	-52.91	374.72	8.33	-44.58
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(CO)=C2)C1	REAL300001175440	0	44	0.0	-49.28	343.31	4.72	-44.56
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(CO)=C2)C1	REAL300001175440	1	44	0.0	-50.48	349.51	4.74	-45.74
CC(=O)N1CCC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001175536	0	50	0.0	-57.50	373.46	6.65	-50.85
CC(=O)N1CCC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001175536	1	50	0.0	-58.09	373.07	6.60	-51.49
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2NC(=O)CCC2=C1	REAL300001175767	0	51	0.0	-52.36	387.07	7.01	-45.35
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2NC(=O)CCC2=C1	REAL300001175767	1	51	0.0	-52.94	387.90	7.47	-45.47
COC1=CC=CC=C1CC(C)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001175885	0	53	0.0	-48.02	396.26	10.21	-37.81
COC1=CC=CC=C1CC(C)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001175885	1	53	0.0	-48.68	400.29	10.33	-38.35
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCN(C3=CC=CC=C3Cl)C2=O)C1	REAL300001176128	0	48	0.0	-54.73	390.23	8.92	-45.81
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCN(C3=CC=CC=C3Cl)C2=O)C1	REAL300001176128	1	48	0.0	-56.63	395.72	8.89	-47.74
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCN(C(=O)CC3CCCC3)CC2)C1	REAL300001176250	0	60	0.0	-59.50	432.62	11.23	-48.27
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCN(C(=O)CC3CCCC3)CC2)C1	REAL300001176250	1	60	0.0	-58.76	431.45	11.18	-47.58
CCNS(=O)(=O)CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001176433	0	44	0.0	-59.53	356.16	1.46	-58.07
CCNS(=O)(=O)CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001176433	1	44	0.0	-60.23	356.79	1.48	-58.75
NC(=O)C1=CC=CC(OC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=C1	REAL300001176539	0	52	0.0	-59.06	413.24	6.88	-52.18
NC(=O)C1=CC=CC(OC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=C1	REAL300001176539	1	52	0.0	-60.13	413.82	6.93	-53.20
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(O)CCCC3=CC=CC=C32)C1	REAL300001176650	0	51	0.0	-48.41	375.81	6.57	-41.84
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(O)CCCC3=CC=CC=C32)C1	REAL300001176650	1	51	0.0	-46.63	374.65	6.14	-40.49
CC(=O)NCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001176774	0	47	0.0	-55.84	366.74	6.35	-49.49
CC(=O)NCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001176774	1	47	0.0	-56.96	373.09	6.31	-50.65
CCCNC(=O)C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001176987	0	53	0.0	-54.88	395.13	7.27	-47.61
CCCNC(=O)C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001176987	1	53	0.0	-56.41	395.55	7.31	-49.10
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC(COC1=CC=CC=C1)C1=CC=CC=C1	REAL300001177099	0	54	0.0	-49.87	416.96	11.24	-38.63
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC(COC1=CC=CC=C1)C1=CC=CC=C1	REAL300001177099	1	54	0.0	-49.74	422.38	11.21	-38.53
CC1=NC(C)=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001177201	0	45	0.0	-52.84	357.47	6.62	-46.22
CC1=NC(C)=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001177201	1	45	0.0	-49.50	355.95	6.19	-43.31
COC1=CC=CC=C1C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001177307	0	54	0.0	-47.79	413.26	10.48	-37.31
COC1=CC=CC=C1C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001177307	1	54	0.0	-52.23	414.09	10.94	-41.29
CCCOC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001177428	0	53	0.0	-45.04	378.10	8.85	-36.19
CCCOC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001177428	1	53	0.0	-48.94	385.60	9.32	-39.62
CC1=NC(COC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=NO1	REAL300001177548	0	49	0.0	-55.89	387.40	6.12	-49.77
CC1=NC(COC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=NO1	REAL300001177548	1	49	0.0	-57.71	393.75	6.09	-51.62
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300001177717	0	46	0.0	-50.83	365.35	8.84	-41.99
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300001177717	1	46	0.0	-51.48	365.23	8.85	-42.63
CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1C(=O)NC(C)C	REAL300001177845	0	53	0.0	-55.82	404.71	7.91	-47.91
CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1C(=O)NC(C)C	REAL300001177845	1	53	0.0	-53.28	399.07	7.95	-45.33
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C(=O)NC(C)C	REAL300001177976	0	53	0.0	-56.95	404.64	7.91	-49.04
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C(=O)NC(C)C	REAL300001177976	1	53	0.0	-55.73	399.52	7.92	-47.81
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C(O)C3=CC=C(Cl)C=C3)CC2)C1	REAL300001178149	0	54	0.0	-49.41	411.86	9.28	-40.13
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C(O)C3=CC=C(Cl)C=C3)CC2)C1	REAL300001178149	1	54	0.0	-51.16	411.93	9.26	-41.90
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C3=NN=C4CCCCN43)C=C2)C1	REAL300001178258	0	53	0.0	-61.27	403.79	10.71	-50.56
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C3=NN=C4CCCCN43)C=C2)C1	REAL300001178258	1	53	0.0	-64.56	397.34	10.74	-53.82
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(CN3CCCC3=O)=C2)C1	REAL300001178380	0	54	0.0	-56.72	424.16	9.17	-47.55
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(CN3CCCC3=O)=C2)C1	REAL300001178380	1	54	0.0	-52.28	417.95	9.15	-43.13
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NC(C3=CC=CS3)=NN2)C1	REAL300001178505	1	43	0.0	-54.61	363.51	6.36	-48.25
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NC(C3=CC=CS3)=NN2)C1	REAL300001178505	1	43	0.0	-50.56	357.32	6.34	-44.22
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC(F)=CC(F)=C2)C1	REAL300001178655	0	43	0.0	-49.22	342.92	7.86	-41.36
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC(F)=CC(F)=C2)C1	REAL300001178655	1	43	0.0	-52.20	344.82	8.31	-43.89
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC(F)=C2)CC2CCCO2)C1	REAL300001178762	0	54	0.0	-50.75	409.19	10.78	-39.97
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC(F)=C2)CC2CCCO2)C1	REAL300001178762	1	54	0.0	-49.23	414.18	10.86	-38.37
CC1=CN(CCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)N=C1	REAL300001178870	0	46	0.0	-51.23	361.93	6.82	-44.41
CC1=CN(CCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)N=C1	REAL300001178870	1	46	0.0	-52.09	362.57	6.84	-45.25
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CNC4=CC(F)=CC=C34)CC2)C1	REAL300001178976	0	54	0.0	-48.49	405.46	10.71	-37.78
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CNC4=CC(F)=CC=C34)CC2)C1	REAL300001178976	1	54	0.0	-51.46	412.99	11.19	-40.27
CC1=CSC(C2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=N1	REAL300001179100	0	46	0.0	-54.95	370.76	8.81	-46.14
CC1=CSC(C2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=N1	REAL300001179100	1	46	0.0	-55.02	377.13	8.78	-46.24
CC(C)C1=NC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CS1	REAL300001179228	0	48	0.0	-51.57	379.80	7.18	-44.39
CC(C)C1=NC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CS1	REAL300001179228	1	48	0.0	-47.53	377.89	6.74	-40.79
CCC1=NC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CS1	REAL300001179344	0	45	0.0	-52.00	359.74	6.64	-45.36
CCC1=NC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CS1	REAL300001179344	1	45	0.0	-50.99	365.94	6.66	-44.33
CC(=O)NC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001179447	0	47	0.0	-52.21	354.18	5.84	-46.37
CC(=O)NC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001179447	1	47	0.0	-49.57	346.74	5.39	-44.18
CCCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300001179542	0	49	0.0	-51.70	400.71	10.59	-41.11
CCCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300001179542	1	49	0.0	-52.42	401.91	10.62	-41.80
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(CN3CCCCC3=O)=C2)C1	REAL300001179653	0	54	0.0	-50.59	405.22	9.65	-40.94
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(CN3CCCCC3=O)=C2)C1	REAL300001179653	1	54	0.0	-51.57	410.46	9.65	-41.92
CC1=CC=C(C(=O)NC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)S1	REAL300001179767	0	54	0.0	-51.70	424.19	8.77	-42.93
CC1=CC=C(C(=O)NC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)S1	REAL300001179767	1	54	0.0	-52.79	424.62	8.79	-44.00
O=C([O-])C1CCC[N@H+](CC(=O)NC2COC3=CC=CC=C32)C1	REAL300001179835	0	42	0.0	-46.88	324.35	6.63	-40.25
O=C([O-])C1CCC[N@@H+](CC(=O)NC2COC3=CC=CC=C32)C1	REAL300001179835	1	42	0.0	-47.18	323.62	6.18	-41.00
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC(=O)N2CC3=CC=CC=C3C2)C1	REAL300001179941	0	54	0.0	-54.38	422.10	8.89	-45.49
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC(=O)N2CC3=CC=CC=C3C2)C1	REAL300001179941	1	54	0.0	-53.76	421.46	8.86	-44.90
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC=C3)CCOCC2)C1	REAL300001180056	0	51	0.0	-51.12	374.54	8.54	-42.58
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC=C3)CCOCC2)C1	REAL300001180056	1	51	0.0	-50.16	368.35	8.53	-41.63
CCC1=NC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CS1	REAL300001180165	0	45	0.0	-44.52	357.79	6.91	-37.61
CCC1=NC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CS1	REAL300001180165	1	45	0.0	-44.42	357.85	6.92	-37.50
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=NC(C3CCCCC3)=CS2)C1	REAL300001180283	0	55	0.0	-47.82	417.72	8.60	-39.22
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=NC(C3CCCCC3)=CS2)C1	REAL300001180283	1	55	0.0	-50.54	419.62	9.04	-41.50
CN(CC1=NC2=CC=CC=C2N1C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001180408	0	49	0.0	-55.10	371.94	9.72	-45.38
CN(CC1=NC2=CC=CC=C2N1C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001180408	1	49	0.0	-54.35	377.49	9.69	-44.66
COCCNC(=O)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001180489	0	44	0.0	-47.50	343.15	1.96	-45.54
COCCNC(=O)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001180489	1	44	0.0	-50.59	349.36	1.98	-48.61
CC(C)S(=O)(=O)CC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001180590	1	52	0.0	-59.10	413.50	7.00	-52.10
CC(C)S(=O)(=O)CC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001180590	1	52	0.0	-57.28	408.33	7.00	-50.28
CC(C)(C)S(=O)(=O)CC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001180698	1	55	0.0	-58.66	430.25	7.51	-51.15
CC(C)(C)S(=O)(=O)CC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001180698	1	55	0.0	-59.22	425.05	7.52	-51.70
CN1C2=CC=CC=C2N=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001180806	0	49	0.0	-56.90	378.41	8.47	-48.43
CN1C2=CC=CC=C2N=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001180806	1	49	0.0	-54.33	377.34	8.04	-46.29
CC(C)N1C2=CC=CC=C2N=C1C1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001180912	0	59	0.0	-48.67	434.36	11.67	-37.00
CC(C)N1C2=CC=CC=C2N=C1C1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001180912	1	59	0.0	-50.09	440.55	11.68	-38.41
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCS(=O)(=O)C2)C1	REAL300001180993	1	43	0.0	-56.82	330.51	2.68	-54.14
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCS(=O)(=O)C2)C1	REAL300001180993	1	43	0.0	-61.06	337.34	3.12	-57.94
CC1=NC2=C(S1)C(N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CCC2	REAL300001181101	0	49	0.0	-46.95	371.10	8.56	-38.39
CC1=NC2=C(S1)C(N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CCC2	REAL300001181101	1	49	0.0	-48.90	373.00	9.02	-39.88
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3CCCC3=O)C(F)=C2)C1	REAL300001181221	1	48	0.0	-62.61	376.62	8.81	-53.80
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3CCCC3=O)C(F)=C2)C1	REAL300001181221	1	48	0.0	-60.71	382.07	8.79	-51.92
C=CCN(CC1CCCCC1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001181331	0	53	0.0	-45.75	380.14	11.20	-34.55
C=CCN(CC1CCCCC1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001181331	1	53	0.0	-45.12	385.74	11.13	-33.99
COC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1OC1CCCC1	REAL300001181545	0	58	0.0	-50.42	433.27	9.89	-40.53
COC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1OC1CCCC1	REAL300001181545	1	58	0.0	-51.28	439.67	9.89	-41.39
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3(CCCCC3)C2)C1	REAL300001181651	0	53	0.0	-46.48	365.98	10.46	-36.02
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3(CCCCC3)C2)C1	REAL300001181651	1	53	0.0	-45.81	364.82	10.44	-35.37
CCN(CC)C(=O)CCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001181764	0	52	0.0	-52.06	396.81	7.36	-44.70
CCN(CC)C(=O)CCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001181764	1	52	0.0	-52.70	397.46	7.38	-45.32
CC1CC2CCCCC2N1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001181840	0	50	0.0	-43.31	352.80	9.43	-33.88
CC1CC2CCCCC2N1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001181840	1	50	0.0	-40.43	344.17	8.96	-31.47
CC(C)(C)S(=O)CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001181963	1	47	0.0	-58.98	366.69	4.95	-54.03
CC(C)(C)S(=O)CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001181963	1	47	0.0	-59.64	367.33	4.98	-54.66
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(=O)NC1=CC=CC=C1	REAL300001182081	0	47	0.0	-50.72	368.72	6.63	-44.09
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(=O)NC1=CC=CC=C1	REAL300001182081	1	47	0.0	-51.01	370.23	6.65	-44.36
CC1=CC=C(C2CCCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001182196	0	53	0.0	-47.28	379.96	11.50	-35.78
CC1=CC=C(C2CCCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001182196	1	53	0.0	-46.68	386.57	11.49	-35.19
CC(CS(C)(=O)=O)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001182293	0	45	0.0	-49.93	344.05	4.94	-44.99
CC(CS(C)(=O)=O)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001182293	1	45	0.0	-53.78	345.60	5.23	-48.55
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=CC(F)=C2F)C1	REAL300001182395	0	43	0.0	-50.10	341.84	7.82	-42.28
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=CC(F)=C2F)C1	REAL300001182395	1	43	0.0	-51.98	343.75	8.27	-43.71
COC1=CC=C(Cl)C=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001182576	0	47	0.0	-50.16	377.05	8.04	-42.12
COC1=CC=C(Cl)C=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001182576	1	47	0.0	-50.47	383.25	8.06	-42.41
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCN(C3=CC=CC=C3F)C2=O)C1	REAL300001182708	0	48	0.0	-55.99	380.49	8.23	-47.76
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCN(C3=CC=CC=C3F)C2=O)C1	REAL300001182708	1	48	0.0	-57.96	385.97	8.22	-49.74
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCN(CC(F)(F)F)C1=O	REAL300001182838	0	47	0.0	-52.27	364.88	7.08	-45.19
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCN(CC(F)(F)F)C1=O	REAL300001182838	1	47	0.0	-51.67	365.71	7.56	-44.11
COC1=CC(F)=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001182966	0	51	0.0	-50.55	390.37	7.10	-43.45
COC1=CC(F)=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001182966	1	51	0.0	-53.07	391.24	7.58	-45.49
CC1=CSC(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCCC2)=N1	REAL300001183080	1	49	0.0	-48.18	374.87	8.03	-40.15
CC1=CSC(C2(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCCC2)=N1	REAL300001183080	1	49	0.0	-48.18	374.79	8.04	-40.14
COC1=CC=CC=C1CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300001183188	0	51	0.0	-41.98	381.64	9.78	-32.20
COC1=CC=CC=C1CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300001183188	1	51	0.0	-45.31	382.76	10.31	-35.00
CCC1=CC=C(CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1	REAL300001183296	0	53	0.0	-45.35	397.06	12.13	-33.22
CCC1=CC=C(CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1	REAL300001183296	1	53	0.0	-47.70	398.29	12.37	-35.33
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CS2)C2CC2)C1	REAL300001183432	0	44	0.0	-48.04	343.23	9.90	-38.14
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CS2)C2CC2)C1	REAL300001183432	1	44	0.0	-42.70	339.59	9.58	-33.12
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(CN3C=CC=N3)C=C2)C1	REAL300001183542	0	47	0.0	-54.94	374.67	8.96	-45.98
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(CN3C=CC=N3)C=C2)C1	REAL300001183542	1	47	0.0	-52.65	368.32	8.98	-43.67
CCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001183667	0	44	0.0	-52.02	357.35	8.08	-43.94
CCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001183667	1	44	0.0	-55.39	352.13	8.08	-47.31
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)C1	REAL300001183791	0	60	0.0	-51.88	429.34	10.13	-41.75
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)C1	REAL300001183791	1	60	0.0	-56.54	435.98	10.58	-45.96
CC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001183954	0	46	0.0	-46.30	349.23	8.57	-37.73
CC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001183954	1	46	0.0	-48.03	355.40	8.59	-39.44
COC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1OC	REAL300001184061	0	52	0.0	-52.57	400.42	7.13	-45.44
COC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1OC	REAL300001184061	1	52	0.0	-53.45	406.62	7.16	-46.29
CCC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001184144	0	46	0.0	-46.49	353.38	8.84	-37.65
CCC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001184144	1	46	0.0	-44.80	351.47	8.40	-36.40
CC(C)(C)C1CCCCC1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001184232	0	55	0.0	-43.96	370.76	10.03	-33.93
CC(C)(C)C1CCCCC1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001184232	1	55	0.0	-46.12	371.57	10.47	-35.65
CC(C)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001184352	0	49	0.0	-46.44	370.72	9.33	-37.11
CC(C)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001184352	1	49	0.0	-44.66	368.81	8.89	-35.77
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300001184459	0	46	0.0	-47.74	364.11	9.37	-38.37
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300001184459	1	46	0.0	-48.46	365.30	9.43	-39.03
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C(C)(C)C)C=C1	REAL300001184575	0	55	0.0	-47.50	409.77	10.58	-36.92
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C(C)(C)C)C=C1	REAL300001184575	1	55	0.0	-46.78	404.27	10.60	-36.18
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=C(Cl)C=CC(F)=C1Cl	REAL300001184703	0	43	0.0	-44.52	354.77	8.90	-35.62
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=C(Cl)C=CC(F)=C1Cl	REAL300001184703	1	43	0.0	-47.83	355.60	9.37	-38.46
CC(C1=CC=CC(Cl)=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001184838	0	46	0.0	-45.13	356.06	10.54	-34.59
CC(C1=CC=CC(Cl)=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001184838	1	46	0.0	-47.94	353.80	10.20	-37.74
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(CN3CCCC3=O)C=C2)C1	REAL300001184954	0	54	0.0	-52.43	416.02	8.73	-43.70
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(CN3CCCC3=O)C=C2)C1	REAL300001184954	1	54	0.0	-54.90	417.96	9.17	-45.73
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2CN2CCCC2=O)C1	REAL300001185080	0	54	0.0	-56.66	416.60	9.91	-46.75
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2CN2CCCC2=O)C1	REAL300001185080	1	54	0.0	-56.12	409.90	9.87	-46.25
COC1=CC=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC(F)F	REAL300001185202	0	51	0.0	-50.42	396.12	8.96	-41.46
COC1=CC=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC(F)F	REAL300001185202	1	51	0.0	-48.42	394.70	8.50	-39.92
CN(CC1=CC=C(F)C(F)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001185314	0	43	0.0	-50.64	345.94	9.59	-41.05
CN(CC1=CC=C(F)C(F)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001185314	1	43	0.0	-53.60	347.12	9.63	-43.97
CCC1CCC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001185390	0	52	0.0	-45.70	371.87	10.11	-35.59
CCC1CCC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001185390	1	52	0.0	-46.36	371.77	10.13	-36.23
CN(CC1=CC=C(Br)O1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001185499	0	40	0.0	-49.31	337.36	8.35	-40.96
CN(CC1=CC=C(Br)O1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001185499	1	40	0.0	-48.38	337.25	8.37	-40.01
CN(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001185629	0	47	0.0	-48.86	379.98	9.28	-39.58
CN(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001185629	1	47	0.0	-51.30	373.78	9.30	-42.00
CC1=CC=C(C(C)N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001185725	0	49	0.0	-47.35	364.23	10.34	-37.01
CC1=CC=C(C(C)N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001185725	1	49	0.0	-47.65	368.22	11.15	-36.50
CC(C1=CC=C(Cl)C=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001185824	0	46	0.0	-48.67	359.55	10.19	-38.48
CC(C1=CC=C(Cl)C=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001185824	1	46	0.0	-49.18	363.55	10.99	-38.19
CC(C1=CC=CC=C1Cl)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001185927	0	46	0.0	-46.32	359.51	10.27	-36.05
CC(C1=CC=CC=C1Cl)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001185927	1	46	0.0	-46.30	360.71	10.20	-36.10
CC(C1=CC=C(Cl)C=C1Cl)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001186068	0	46	0.0	-47.44	376.34	10.78	-36.66
CC(C1=CC=C(Cl)C=C1Cl)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001186068	1	46	0.0	-48.21	378.03	10.76	-37.45
CC(C1=CC(F)=CC=C1F)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001186170	0	46	0.0	-47.50	359.24	9.92	-37.58
CC(C1=CC(F)=CC=C1F)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001186170	1	46	0.0	-48.26	360.59	9.95	-38.31
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OCC(N)=O	REAL300001186287	0	49	0.0	-65.50	387.29	4.45	-61.05
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OCC(N)=O	REAL300001186287	1	49	0.0	-65.36	382.07	4.47	-60.89
CC1=CC(C)=NN1C1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001186439	0	50	0.0	-46.43	381.45	9.59	-36.84
CC1=CC(C)=NN1C1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001186439	1	50	0.0	-45.54	382.54	10.03	-35.51
CCOCCCNC(=O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001186551	0	57	0.0	-54.61	445.22	7.19	-47.42
CCOCCCNC(=O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001186551	1	57	0.0	-62.67	439.77	7.22	-55.45
CC(C(=O)NC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1)N1C=CC=N1	REAL300001186722	0	54	0.0	-61.57	425.68	7.87	-53.70
CC(C(=O)NC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1)N1C=CC=N1	REAL300001186722	1	54	0.0	-55.78	419.41	7.92	-47.86
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(COCC3=CC=CC=C3)C=C2)C1	REAL300001187062	0	57	0.0	-47.78	445.41	10.70	-37.08
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(COCC3=CC=CC=C3)C=C2)C1	REAL300001187062	1	57	0.0	-49.70	447.32	11.15	-38.55
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2COCC2=CC=CC=C2)C1	REAL300001187159	0	57	0.0	-51.30	448.20	11.30	-40.00
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2COCC2=CC=CC=C2)C1	REAL300001187159	1	57	0.0	-48.85	442.02	11.28	-37.57
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(COCC3=CC=CC=C3)=C2)C1	REAL300001187256	0	57	0.0	-50.77	453.53	11.16	-39.61
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(COCC3=CC=CC=C3)=C2)C1	REAL300001187256	1	57	0.0	-49.53	447.32	11.14	-38.39
COCC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001187353	0	47	0.0	-48.48	365.56	7.13	-41.35
COCC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001187353	1	47	0.0	-49.71	371.77	7.15	-42.56
COCC1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001187459	0	47	0.0	-47.46	360.24	7.26	-40.20
COCC1=CC=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001187459	1	47	0.0	-49.61	366.45	7.28	-42.33
CCOCC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001187577	0	50	0.0	-48.23	387.41	8.10	-40.13
CCOCC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001187577	1	50	0.0	-49.54	393.62	8.12	-41.42
CCOCC1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001187701	0	50	0.0	-47.28	382.09	8.24	-39.04
CCOCC1=CC=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001187701	1	50	0.0	-49.54	388.31	8.26	-41.28
O=C([O-])C1(C(=O)NCC2=CC(NC(=O)CC[NH+]3CCOCC3)=CC=C2)CC1	REAL300001187818	1	52	0.0	-68.55	412.78	6.19	-62.36
O=C([O-])C1(C(=O)NCC2=CC(NC(=O)CC[NH+]3CCOCC3)=CC=C2)CC1	REAL300001187819	1	52	0.0	-68.55	412.78	6.19	-62.36
O=C([O-])C1(C(=O)NCC2=CC(NC(=O)CC[NH+]3CCOCC3)=CC=C2)CCC1	REAL300001187820	1	55	0.0	-75.49	429.30	6.61	-68.88
CC(C)(C(=O)[O-])C(=O)NCC1=CC=CC(NC(=O)CC[NH+]2CCOCC2)=C1	REAL300001187821	1	54	0.0	-88.40	422.26	6.89	-81.51
O=C([O-])CCCC(=O)NCC1=CC=CC(NC(=O)CC[NH+]2CCOCC2)=C1	REAL300001187822	1	54	0.0	-87.18	429.31	6.24	-80.94
CC(CC(=O)[O-])CC(=O)NCC1=CC=CC(NC(=O)CC[NH+]2CCOCC2)=C1	REAL300001187823	1	57	0.0	-85.64	441.91	6.68	-78.96
O=C([O-])COCC(=O)NCC1=CC=CC(NC(=O)CC[NH+]2CCOCC2)=C1	REAL300001187824	1	52	0.0	-89.47	421.44	5.49	-83.98
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1=CC(NC(=O)CC[NH+]2CCOCC2)=CC=C1	REAL300001187825	1	55	0.0	-72.97	429.83	6.47	-66.50
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1=CC(NC(=O)CC[NH+]2CCOCC2)=CC=C1	REAL300001187826	1	55	0.0	-72.97	429.83	6.47	-66.50
O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1=CC(NC(=O)CC[NH+]2CCOCC2)=CC=C1	REAL300001187827	1	52	0.0	-93.14	414.51	7.11	-86.03
CCC(C(=O)[O-])C(=O)NCC1=CC=CC(NC(=O)CC[NH+]2CCOCC2)=C1	REAL300001187828	1	54	0.0	-76.68	427.30	6.07	-70.61
CC(C)C(C(=O)[O-])C(=O)NCC1=CC=CC(NC(=O)CC[NH+]2CCOCC2)=C1	REAL300001187829	1	57	0.0	-71.39	443.37	6.64	-64.75
O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1=CC(NC(=O)CC[NH+]2CCOCC2)=CC=C1	REAL300001187830	1	52	0.0	-80.93	418.88	6.15	-74.78
O=C([O-])[C@H]1C[C@@H](C(=O)NCC2=CC(NC(=O)CC[NH+]3CCOCC3)=CC=C2)C1	REAL300001187831	1	55	0.0	-88.92	434.00	6.62	-82.30
CCCC(C(=O)[O-])C(=O)NCC1=CC=CC(NC(=O)CC[NH+]2CCOCC2)=C1	REAL300001187832	1	57	0.0	-76.98	448.80	6.85	-70.13
COC(C(=O)[O-])C(=O)NCC1=CC=CC(NC(=O)CC[NH+]2CCOCC2)=C1	REAL300001187833	1	52	0.0	-78.63	418.54	5.34	-73.29
C[C@]1(C(=O)NCC2=CC=CC(NC(=O)CC[NH+]3CCOCC3)=C2)C[C@H]1C(=O)[O-]	REAL300001187834	1	55	0.0	-92.07	436.67	6.73	-85.34
CC(C(=O)[O-])C(=O)NCC1=CC=CC(NC(=O)CC[NH+]2CCOCC2)=C1	REAL300001187835	1	51	0.0	-86.69	403.60	6.32	-80.37
CC1CC1(C(=O)[O-])C(=O)NCC1=CC=CC(NC(=O)CC[NH+]2CCOCC2)=C1	REAL300001187836	1	55	0.0	-68.55	428.70	6.91	-61.64
CC(C1CC1)N(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001187905	0	53	0.0	-46.67	383.11	11.96	-34.71
CC(C1CC1)N(CC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001187905	1	53	0.0	-46.61	393.14	12.19	-34.42
COC1=CC(OC)=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001188040	1	45	0.0	-51.26	364.28	6.56	-44.70
COC1=CC(OC)=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001188040	1	45	0.0	-51.58	358.81	6.60	-44.98
O=C([O-])C1CCC[N@H+](CC(=O)NCCC23CC4CC(CC(C4)C2)C3)C1	REAL300001188198	0	57	0.0	-47.89	395.28	9.85	-38.04
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC23CC4CC(CC(C4)C2)C3)C1	REAL300001188198	1	57	0.0	-47.43	389.08	9.83	-37.60
CCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OCC	REAL300001188327	0	51	0.0	-53.80	392.41	8.34	-45.46
CCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OCC	REAL300001188327	1	51	0.0	-53.28	387.21	8.35	-44.93
CC1=CC=CC(OC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=C1	REAL300001188570	0	51	0.0	-52.19	395.86	10.85	-41.34
CC1=CC=CC(OC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=C1	REAL300001188570	1	51	0.0	-54.04	400.85	10.83	-43.21
CCOC1=CC=C(OC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)C=C1	REAL300001188692	0	55	0.0	-54.19	430.37	10.34	-43.85
CCOC1=CC=C(OC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)C=C1	REAL300001188692	1	55	0.0	-54.61	430.78	10.36	-44.25
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300001188802	0	48	0.0	-53.19	368.70	11.45	-41.74
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300001188802	1	48	0.0	-49.92	368.17	10.98	-38.94
CCOC1=CC=C(OC2=CC=CC=C2NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001188990	1	55	0.0	-47.47	423.03	10.05	-37.42
CCOC1=CC=C(OC2=CC=CC=C2NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001188990	1	55	0.0	-47.60	423.31	10.51	-37.09
CC1=CC=C(SC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)C(C)=C1	REAL300001189079	0	54	0.0	-51.80	424.54	12.67	-39.13
CC1=CC=C(SC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)C(C)=C1	REAL300001189079	1	54	0.0	-52.37	430.55	12.63	-39.74
CC1=CC=CC(OC2=CC=CC=C2NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001189179	1	51	0.0	-46.77	392.41	10.52	-36.25
CC1=CC=CC(OC2=CC=CC=C2NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001189179	1	51	0.0	-46.59	393.84	10.92	-35.67
CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001189294	0	51	0.0	-58.42	399.23	8.73	-49.69
CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001189294	1	51	0.0	-65.60	393.75	8.75	-56.85
CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001189423	0	48	0.0	-59.87	380.03	7.82	-52.05
CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001189423	1	48	0.0	-60.51	379.93	7.83	-52.68
CN(CCOC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001189616	0	47	0.0	-46.74	362.63	9.17	-37.57
CN(CCOC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001189616	1	47	0.0	-47.82	363.67	9.13	-38.69
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C3=NN=C4CCCCCN43)=C2)C1	REAL300001189722	0	56	0.0	-66.90	410.45	11.05	-55.85
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C3=NN=C4CCCCCN43)=C2)C1	REAL300001189722	1	56	0.0	-60.61	416.48	11.05	-49.56
CCOC1=CC=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001189831	0	50	0.0	-48.12	385.35	9.71	-38.41
CCOC1=CC=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001189831	1	50	0.0	-49.68	379.13	9.73	-39.95
CN(CC1=CC=CC=C1Br)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001189957	0	43	0.0	-43.77	339.95	9.70	-34.07
CN(CC1=CC=CC=C1Br)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001189957	1	43	0.0	-45.06	337.85	9.72	-35.34
CC1=CC(C)=NN1CCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001190073	0	49	0.0	-52.98	381.73	7.20	-45.78
CC1=CC(C)=NN1CCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001190073	1	49	0.0	-53.60	383.25	7.25	-46.35
CCC1=CC=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001190171	0	49	0.0	-46.37	376.89	10.92	-35.45
CCC1=CC=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001190171	1	49	0.0	-43.77	369.38	10.46	-33.31
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2CCCO2)C2CCS(=O)(=O)C2)C1	REAL300001190276	1	54	0.0	-58.66	401.32	5.63	-53.03
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2CCCO2)C2CCS(=O)(=O)C2)C1	REAL300001190276	1	54	0.0	-56.65	393.42	5.59	-51.06
COCCN(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001190374	0	50	0.0	-43.43	382.23	9.81	-33.62
COCCN(CC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001190374	1	50	0.0	-48.92	379.26	9.61	-39.31
CN(CC1=CC=C(C(C)(C)C)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001190490	0	55	0.0	-46.09	410.20	11.81	-34.28
CN(CC1=CC=C(C(C)(C)C)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001190490	1	55	0.0	-48.47	403.99	11.83	-36.64
CCCN(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001190590	0	49	0.0	-45.69	374.64	11.15	-34.54
CCCN(CC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001190590	1	49	0.0	-46.82	369.21	11.18	-35.64
CC1=CC=CC=C1CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001190657	0	46	0.0	-48.59	342.99	10.67	-37.92
CC1=CC=CC=C1CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001190657	1	46	0.0	-48.66	349.42	10.69	-37.97
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3OC(C4CC4)=NC3=C2)C1	REAL300001190764	0	46	0.0	-60.34	359.89	6.54	-53.80
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3OC(C4CC4)=NC3=C2)C1	REAL300001190764	1	46	0.0	-54.03	358.81	6.11	-47.92
CC(C)(C)C1=NC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300001190897	0	51	0.0	-52.13	389.39	6.43	-45.70
CC(C)(C)C1=NC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300001190897	1	51	0.0	-56.95	390.25	6.88	-50.07
CC(C)C1=NC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300001191027	0	48	0.0	-52.33	369.99	5.87	-46.46
CC(C)C1=NC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300001191027	1	48	0.0	-59.69	370.80	6.33	-53.36
CCC(C)(C)C1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001191245	0	58	0.0	-46.97	395.90	9.60	-37.37
CCC(C)(C)C1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001191245	1	58	0.0	-47.20	402.08	9.59	-37.61
CN(CC(=O)N1CCOCC1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001191364	0	48	0.0	-55.83	357.60	5.88	-49.95
CN(CC(=O)N1CCOCC1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001191364	1	48	0.0	-51.85	363.85	5.92	-45.93
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCS(=O)(=O)C1	REAL300001191439	1	40	0.0	-60.54	314.74	2.53	-58.01
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCS(=O)(=O)C1	REAL300001191439	1	40	0.0	-58.68	313.88	2.09	-56.59
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300001191545	0	51	0.0	-53.22	402.17	10.57	-42.65
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300001191545	1	51	0.0	-51.66	395.82	10.61	-41.05
O=C([O-])C1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1	REAL300001191649	0	51	0.0	-47.22	352.91	8.74	-38.48
O=C([O-])C1CCC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1	REAL300001191649	1	51	0.0	-44.25	345.41	8.29	-35.96
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300001191739	1	43	0.0	-56.21	326.79	3.75	-52.46
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300001191739	1	43	0.0	-60.36	327.53	4.23	-56.13
O=C([O-])C1CCC[N@H+](CC(=O)NN(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001191934	1	49	0.0	-47.69	378.85	11.12	-36.57
O=C([O-])C1CCC[N@@H+](CC(=O)NN(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001191934	1	49	0.0	-52.15	380.02	11.56	-40.59
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC2CCC1C2	REAL300001192019	0	50	0.0	-46.86	357.89	8.72	-38.14
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC2CCC1C2	REAL300001192019	1	50	0.0	-47.11	352.38	8.76	-38.35
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C12CC3CC(CC(C3)C1)C2	REAL300001192128	0	57	0.0	-44.48	382.72	9.78	-34.70
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C12CC3CC(CC(C3)C1)C2	REAL300001192128	1	57	0.0	-47.12	383.57	10.22	-36.90
CC1(C)C2CCC1(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300001192239	0	53	0.0	-46.32	366.40	9.50	-36.82
CC1(C)C2CCC1(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300001192239	1	53	0.0	-46.42	365.24	9.36	-37.06
CCS(=O)(=O)N(C)CCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001192412	0	50	0.0	-54.73	397.44	4.08	-50.65
CCS(=O)(=O)N(C)CCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001192412	1	50	0.0	-59.18	395.61	4.06	-55.12
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(N3CCCC3=O)C=C2)C1	REAL300001192584	0	51	0.0	-52.45	385.91	8.09	-44.36
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(N3CCCC3=O)C=C2)C1	REAL300001192584	1	51	0.0	-52.77	387.82	8.52	-44.25
CCN(CC(=O)NC1=CC=CC(OC)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001192712	0	54	0.0	-50.72	417.58	8.31	-42.41
CCN(CC(=O)NC1=CC=CC(OC)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001192712	1	54	0.0	-49.09	406.92	8.27	-40.82
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC3=CC=CC=C3C=C2)C1	REAL300001192846	0	50	0.0	-50.63	392.62	9.31	-41.32
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC3=CC=CC=C3C=C2)C1	REAL300001192846	1	50	0.0	-50.46	392.73	9.30	-41.16
COC1=CC=C(Br)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001193113	1	41	0.0	-49.22	339.26	7.33	-41.89
COC1=CC=C(Br)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001193113	1	41	0.0	-49.10	334.59	7.35	-41.75
C=CCN(CC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001193309	0	47	0.0	-44.69	358.14	10.90	-33.79
C=CCN(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001193309	1	47	0.0	-45.15	366.63	10.99	-34.16
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2)C2CCCCC2)C1	REAL300001193410	0	56	0.0	-45.95	403.84	12.50	-33.45
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2)C2CCCCC2)C1	REAL300001193410	1	56	0.0	-43.77	400.22	12.29	-31.48
COCCN(CC1=CC=CO1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001193512	0	47	0.0	-45.28	341.99	8.12	-37.16
COCCN(CC1=CC=CO1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001193512	1	47	0.0	-49.61	344.56	8.64	-40.97
CCC(CC)N(CCOC)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001193581	0	52	0.0	-44.25	376.04	9.81	-34.44
CCC(CC)N(CCOC)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001193581	1	52	0.0	-44.88	370.56	9.84	-35.04
COC1=CC=CC=C1CN(CC1CCCO1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001193672	0	58	0.0	-43.50	425.85	9.87	-33.63
COC1=CC=CC=C1CN(CC1CCCO1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001193672	1	58	0.0	-47.38	425.94	11.18	-36.20
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2CCCO2)C2CCSC2)C1	REAL300001193771	0	52	0.0	-44.18	380.25	8.80	-35.38
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2CCCO2)C2CCSC2)C1	REAL300001193771	1	52	0.0	-41.44	374.65	8.76	-32.68
COC1=CC=C(Cl)C=C1CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001193938	0	47	0.0	-46.60	368.23	9.51	-37.09
COC1=CC=C(Cl)C=C1CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001193938	1	47	0.0	-47.33	373.14	10.52	-36.81
CCC1=CC=C(C(=O)N2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001194193	0	57	0.0	-55.41	428.51	10.58	-44.83
CCC1=CC=C(C(=O)N2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001194193	1	57	0.0	-50.88	421.52	10.14	-40.74
COC1=CC=C2OC(C(C)NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C(C)C2=C1	REAL300001194363	0	53	0.0	-48.44	407.73	8.66	-39.78
COC1=CC=C2OC(C(C)NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C(C)C2=C1	REAL300001194363	1	53	0.0	-48.49	407.31	8.65	-39.84
CC(C)CC(CC(C)C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001194445	0	54	0.0	-45.70	379.29	9.37	-36.33
CC(C)CC(CC(C)C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001194445	1	54	0.0	-47.35	394.67	9.47	-37.88
CC(=O)NC1=CC=CC(OCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001194552	0	51	0.0	-55.07	403.07	5.91	-49.16
CC(=O)NC1=CC=CC(OCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001194552	1	51	0.0	-55.45	402.68	5.93	-49.52
COC1=CC=CC=C1SCC(C)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001194678	0	54	0.0	-51.11	417.83	9.40	-41.71
COC1=CC=CC=C1SCC(C)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001194678	1	54	0.0	-49.46	416.69	8.96	-40.50
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=C(F)C=CC=C2F)C2CCCC2)C1	REAL300001194788	0	53	0.0	-42.52	388.97	11.67	-30.85
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=C(F)C=CC=C2F)C2CCCC2)C1	REAL300001194788	1	53	0.0	-41.51	388.00	11.66	-29.85
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=NC(C4=CC=CC=C4)=NO3)CC2)C1	REAL300001194887	0	55	0.0	-51.14	418.71	9.25	-41.89
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=NC(C4=CC=CC=C4)=NO3)CC2)C1	REAL300001194887	1	55	0.0	-54.20	426.19	9.72	-44.48
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCN(C2=CC=CC=C2)C1=O	REAL300001194989	0	51	0.0	-52.55	376.00	9.01	-43.54
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCN(C2=CC=CC=C2)C1=O	REAL300001194989	1	51	0.0	-60.56	378.16	9.68	-50.88
CCSC1=CC=C(Cl)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001195128	1	44	0.0	-48.24	366.40	9.82	-38.42
CCSC1=CC=C(Cl)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001195128	1	44	0.0	-48.48	360.06	9.80	-38.68
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2C2=CC3=CC=CC=C3N2)C1	REAL300001195236	0	54	0.0	-50.58	400.30	11.16	-39.42
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2C2=CC3=CC=CC=C3N2)C1	REAL300001195236	1	54	0.0	-50.47	392.94	11.17	-39.30
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NNC=C2Br)C1	REAL300001195352	0	37	0.0	-49.59	317.47	4.39	-45.20
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NNC=C2Br)C1	REAL300001195352	1	37	0.0	-48.73	311.27	4.37	-44.36
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=C(Cl)C=CC=C1Cl	REAL300001195478	0	49	0.0	-47.60	382.27	9.77	-37.83
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=C(Cl)C=CC=C1Cl	REAL300001195478	1	49	0.0	-44.97	374.08	9.32	-35.65
CNC(=O)COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001195598	0	48	0.0	-57.39	374.57	6.17	-51.22
CNC(=O)COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001195598	1	48	0.0	-62.12	380.92	6.13	-55.99
NC(=O)CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCC1	REAL300001195754	0	47	0.0	-52.18	346.70	5.42	-46.76
NC(=O)CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCC1	REAL300001195754	1	47	0.0	-49.41	341.16	5.43	-43.98
CC(C)(C)C1=CSC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001195858	1	48	0.0	-48.41	382.40	7.13	-41.28
CC(C)(C)C1=CSC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001195858	1	48	0.0	-48.78	382.83	7.16	-41.62
O=C([O-])C1CCC[N@H+](CC(=O)NCCS(=O)CC2=CC=CC=C2)C1	REAL300001195983	1	48	0.0	-61.44	392.42	6.90	-54.54
O=C([O-])C1CCC[N@@H+](CC(=O)NCCS(=O)CC2=CC=CC=C2)C1	REAL300001195983	1	48	0.0	-60.82	391.78	6.88	-53.94
CN1C2=CC(F)=CC=C2N=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001196108	0	49	0.0	-56.29	384.83	8.54	-47.75
CN1C2=CC(F)=CC=C2N=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001196108	1	49	0.0	-53.70	383.77	8.11	-45.59
CN1C2=CC=CC(F)=C2N=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001196237	0	49	0.0	-62.72	385.76	8.55	-54.17
CN1C2=CC=CC(F)=C2N=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001196237	1	49	0.0	-57.28	383.01	8.09	-49.19
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC2=CC=CC(Br)=C2)C1	REAL300001196363	0	46	0.0	-49.83	380.99	9.59	-40.24
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC2=CC=CC(Br)=C2)C1	REAL300001196363	1	46	0.0	-49.34	380.36	9.57	-39.77
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3N=C(C4=CC=C(F)C=C4)OC3=C2)C1	REAL300001196471	0	49	0.0	-54.95	393.87	8.15	-46.80
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3N=C(C4=CC=C(F)C=C4)OC3=C2)C1	REAL300001196471	1	49	0.0	-53.25	392.76	7.72	-45.53
CC1=CC=C(NC(=O)C(C)(C)C)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001196590	0	56	0.0	-55.75	422.58	9.08	-46.67
CC1=CC=C(NC(=O)C(C)(C)C)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001196590	1	56	0.0	-53.50	417.62	9.15	-44.35
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1NC(=O)C(C)(C)C	REAL300001196705	0	56	0.0	-51.26	422.74	9.09	-42.17
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1NC(=O)C(C)(C)C	REAL300001196705	1	56	0.0	-49.98	417.13	9.10	-40.88
CC1=NNC(=O)C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001196820	0	45	0.0	-49.91	345.75	4.00	-45.91
CC1=NNC(=O)C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001196820	1	45	0.0	-54.46	351.09	4.00	-50.46
CCN(C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1)S(C)(=O)=O	REAL300001196940	0	54	0.0	-55.62	403.36	5.90	-49.72
CCN(C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1)S(C)(=O)=O	REAL300001196940	1	54	0.0	-58.77	403.77	5.93	-52.84
CCS(=O)(=O)N(C)C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001197066	0	54	0.0	-54.30	403.28	6.12	-48.18
CCS(=O)(=O)N(C)C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001197066	1	54	0.0	-52.47	402.10	5.65	-46.82
COC1=CC=CC=C1OC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001197178	0	55	0.0	-51.46	428.48	10.14	-41.32
COC1=CC=CC=C1OC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001197178	1	55	0.0	-52.74	436.34	10.23	-42.51
O=C([O-])C1CCC[N@H+](CC(=O)NCCNC(=O)C2=CC=C(F)C=C2)C1	REAL300001197289	0	47	0.0	-55.59	379.68	5.93	-49.66
O=C([O-])C1CCC[N@@H+](CC(=O)NCCNC(=O)C2=CC=C(F)C=C2)C1	REAL300001197289	1	47	0.0	-54.99	379.04	5.91	-49.08
CC1=C2NC=C(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=CC=C1	REAL300001197444	0	50	0.0	-51.91	385.14	8.87	-43.04
CC1=C2NC=C(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=CC=C1	REAL300001197444	1	50	0.0	-48.99	383.23	8.43	-40.56
CN1C(=O)COC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C21	REAL300001197573	0	46	0.0	-56.71	358.05	6.30	-50.41
CN1C(=O)COC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C21	REAL300001197573	1	46	0.0	-55.70	351.69	6.29	-49.41
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(Br)C(F)=C2)C1	REAL300001197703	0	40	0.0	-52.07	343.71	8.09	-43.98
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(Br)C(F)=C2)C1	REAL300001197703	1	40	0.0	-48.85	337.50	8.07	-40.78
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(F)C=C2OCC(F)(F)F)C1	REAL300001197816	1	44	0.0	-48.30	360.32	8.21	-40.09
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(F)C=C2OCC(F)(F)F)C1	REAL300001197816	1	44	0.0	-49.13	360.34	7.76	-41.37
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(Cl)C=C2OCC(F)(F)F)C1	REAL300001197908	1	44	0.0	-47.83	370.63	8.66	-39.17
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(Cl)C=C2OCC(F)(F)F)C1	REAL300001197908	1	44	0.0	-48.62	370.65	8.20	-40.42
COCC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(N)=O	REAL300001197956	1	44	0.0	-60.14	338.83	1.15	-58.99
COCC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(N)=O	REAL300001197956	1	44	0.0	-62.57	333.34	1.18	-61.39
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC=C(Br)C=C32)C1	REAL300001198058	0	41	0.0	-45.13	332.43	9.80	-35.33
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=C(Br)C=C32)C1	REAL300001198058	1	41	0.0	-42.51	326.23	9.78	-32.73
CC(CS(C)(=O)=O)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300001198175	0	49	0.0	-51.32	369.83	6.41	-44.91
CC(CS(C)(=O)=O)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300001198175	1	49	0.0	-47.68	358.13	6.52	-41.16
CN(CC(=O)NCC1=CC=CS1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001198292	0	47	0.0	-49.46	384.46	7.32	-42.14
CN(CC(=O)NCC1=CC=CS1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001198292	1	47	0.0	-47.77	377.73	6.85	-40.92
O=C([O-])C1CCC[N@H+](CC(=O)NCCNC(=O)C2=C(F)C=CC=C2F)C1	REAL300001198441	0	47	0.0	-56.76	389.57	5.83	-50.93
O=C([O-])C1CCC[N@@H+](CC(=O)NCCNC(=O)C2=C(F)C=CC=C2F)C1	REAL300001198441	1	47	0.0	-56.14	388.93	5.81	-50.33
CCS(=O)(=O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001198566	1	46	0.0	-57.73	372.10	5.71	-52.02
CCS(=O)(=O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001198566	1	46	0.0	-56.34	366.90	5.73	-50.61
CN(C)S(=O)(=O)C1=CC=C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300001198683	0	52	0.0	-62.05	403.58	7.51	-54.54
CN(C)S(=O)(=O)C1=CC=C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300001198683	1	52	0.0	-58.71	410.62	7.49	-51.22
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1Cl	REAL300001198794	0	49	0.0	-50.15	380.27	9.58	-40.57
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1Cl	REAL300001198794	1	49	0.0	-47.26	372.04	9.07	-38.19
CN(C)C(=O)C1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300001198919	0	53	0.0	-47.22	377.34	6.64	-40.58
CN(C)C(=O)C1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300001198919	1	53	0.0	-49.70	383.87	6.76	-42.94
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)CS(=O)(=O)CC	REAL300001199033	0	51	0.0	-50.51	387.38	6.97	-43.54
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)CS(=O)(=O)CC	REAL300001199033	1	51	0.0	-48.74	380.70	6.36	-42.38
CC1=CC(OC(C)C)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001199139	0	50	0.0	-48.45	373.53	8.70	-39.75
CC1=CC(OC(C)C)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001199139	1	50	0.0	-51.97	373.34	9.10	-42.87
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCN(C(=O)C3=CSC=C3)CC2)C1	REAL300001199253	0	51	0.0	-55.76	384.63	9.01	-46.75
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCN(C(=O)C3=CSC=C3)CC2)C1	REAL300001199253	1	51	0.0	-55.09	380.81	8.94	-46.15
CC1=CC=CC=C1C1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300001199377	0	59	0.0	-44.16	406.34	11.09	-33.07
CC1=CC=CC=C1C1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300001199377	1	59	0.0	-46.41	412.52	11.12	-35.29
COC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Br	REAL300001199500	0	44	0.0	-48.72	360.41	7.36	-41.36
COC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Br	REAL300001199500	1	44	0.0	-51.56	366.62	7.39	-44.17
COC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300001199622	0	47	0.0	-50.02	370.17	8.11	-41.91
COC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C(F)(F)F)=C1	REAL300001199622	1	47	0.0	-49.41	376.39	8.12	-41.29
CCCNC(=O)C1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300001199820	0	56	0.0	-60.52	403.85	7.41	-53.11
CCCNC(=O)C1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300001199820	1	56	0.0	-57.86	410.59	7.45	-50.41
CCCCNC(=O)C1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300001199930	0	59	0.0	-60.36	425.35	8.18	-52.18
CCCCNC(=O)C1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300001199930	1	59	0.0	-57.66	432.09	8.22	-49.44
CC1=CC=CC=C1C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001200067	0	50	0.0	-45.19	367.73	10.33	-34.86
CC1=CC=CC=C1C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001200067	1	50	0.0	-44.77	367.26	10.29	-34.48
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCN(C(=O)C3=CC=CC=C3)C2)C1	REAL300001200190	0	54	0.0	-58.50	404.46	8.70	-49.80
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCN(C(=O)C3=CC=CC=C3)C2)C1	REAL300001200190	1	54	0.0	-57.79	400.80	8.63	-49.16
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CC3=CC=C(F)C=C3)CC2)C1	REAL300001200318	0	53	0.0	-46.06	391.62	11.31	-34.75
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CC3=CC=C(F)C=C3)CC2)C1	REAL300001200318	1	53	0.0	-48.70	399.15	11.77	-36.93
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC4=CC=CC=C4N3)CC2)C1	REAL300001200427	0	55	0.0	-52.45	410.40	9.11	-43.34
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC4=CC=CC=C4N3)CC2)C1	REAL300001200427	1	55	0.0	-56.65	417.90	9.57	-47.08
CC1=CC=CC(C2=CC=CC(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)=C1	REAL300001200537	0	53	0.0	-47.85	406.12	11.47	-36.38
CC1=CC=CC(C2=CC=CC(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)=C1	REAL300001200537	1	53	0.0	-49.58	412.32	11.49	-38.09
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Br)=C1	REAL300001200651	0	49	0.0	-49.86	387.79	9.85	-40.01
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Br)=C1	REAL300001200651	1	49	0.0	-50.24	387.69	9.87	-40.37
CCN(CC1=C(F)C=CC=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001200760	0	46	0.0	-45.49	357.51	10.35	-35.14
CCN(CC1=C(F)C=CC=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001200760	1	46	0.0	-46.84	351.96	10.39	-36.45
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C)C=C1	REAL300001200903	0	49	0.0	-47.52	368.80	9.55	-37.97
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C)C=C1	REAL300001200903	1	49	0.0	-47.64	363.25	9.57	-38.07
CC(C)(C)OCC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001201017	0	56	0.0	-47.97	421.71	9.23	-38.74
CC(C)(C)OCC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001201017	1	56	0.0	-49.12	427.92	9.25	-39.87
O=C([O-])C1CCC[N@H+](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C1	REAL300001201144	0	54	0.0	-44.30	368.57	9.18	-35.12
O=C([O-])C1CCC[N@@H+](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C1	REAL300001201144	1	54	0.0	-47.16	369.75	9.62	-37.54
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C34CC5CC(CC(C5)C3)C4)C=C2)C1	REAL300001201256	0	61	0.0	-45.65	421.45	12.13	-33.52
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C34CC5CC(CC(C5)C3)C4)C=C2)C1	REAL300001201256	1	61	0.0	-49.22	422.46	12.63	-36.59
COC1=CC2=C(C=C1OC)CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300001201447	0	52	0.0	-52.92	391.96	8.83	-44.09
COC1=CC2=C(C=C1OC)CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300001201447	1	52	0.0	-54.11	391.85	8.85	-45.26
CC1=CC=C(OC2=CC=CC=C2NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001201565	1	51	0.0	-46.21	392.13	10.46	-35.75
CC1=CC=C(OC2=CC=CC=C2NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001201565	1	51	0.0	-46.67	393.35	10.97	-35.70
CCN(CC(=O)NCC1=CC=C(F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001201678	0	53	0.0	-50.76	420.58	9.20	-41.56
CCN(CC(=O)NCC1=CC=C(F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001201678	1	53	0.0	-47.90	413.08	8.73	-39.17
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(NC3=CC=CC=C3)=C2)C1	REAL300001201800	0	49	0.0	-50.63	376.14	9.68	-40.95
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(NC3=CC=CC=C3)=C2)C1	REAL300001201800	1	49	0.0	-51.24	381.74	9.64	-41.60
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C3OCCOC3=C2)C1	REAL300001201930	0	49	0.0	-50.46	374.60	6.88	-43.58
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C3OCCOC3=C2)C1	REAL300001201930	1	49	0.0	-53.59	376.51	7.33	-46.26
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300001202047	0	46	0.0	-56.87	345.43	5.18	-51.69
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300001202047	1	46	0.0	-54.46	344.28	4.72	-49.74
O=C([O-])C1CCC[N@H+](CC(=O)NCCCSC2=CC=CC=C2)C1	REAL300001202161	0	47	0.0	-50.73	378.50	9.41	-41.32
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCSC2=CC=CC=C2)C1	REAL300001202161	1	47	0.0	-50.08	377.86	9.39	-40.69
CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001202288	0	47	0.0	-49.95	383.14	8.75	-41.20
CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001202288	1	47	0.0	-51.86	384.29	8.78	-43.08
CN(CC1=CC=C(Cl)C=C1Cl)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001202419	0	43	0.0	-43.93	351.50	10.16	-33.77
CN(CC1=CC=C(Cl)C=C1Cl)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001202419	1	43	0.0	-48.78	356.95	10.36	-38.42
CC1=CC=CC(C)=C1NC(=O)CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001202551	0	53	0.0	-48.71	398.95	9.69	-39.02
CC1=CC=CC(C)=C1NC(=O)CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001202551	1	53	0.0	-52.82	405.93	9.74	-43.08
CCN(CC1COC2=CC=CC=C2O1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001202682	0	52	0.0	-49.10	396.72	10.10	-39.00
CCN(CC1COC2=CC=CC=C2O1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001202682	1	52	0.0	-51.21	390.56	10.12	-41.09
O=C([O-])C1CCC[N@H+](CC(=O)NCCCSC2=CC=C(F)C=C2)C1	REAL300001202879	0	47	0.0	-51.40	384.90	9.48	-41.92
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCSC2=CC=C(F)C=C2)C1	REAL300001202879	1	47	0.0	-50.70	384.26	9.46	-41.24
CC1=CC=CC(NC(=O)CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001203012	0	53	0.0	-49.43	397.13	9.49	-39.94
CC1=CC=CC(NC(=O)CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001203012	1	53	0.0	-49.66	396.21	9.04	-40.62
O=C([O-])C1CCC[N@H+](CC(=O)NCC(=O)NC2=CC=C(F)C(F)=C2F)C1	REAL300001203134	0	44	0.0	-53.57	368.11	6.04	-47.53
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(=O)NC2=CC=C(F)C(F)=C2F)C1	REAL300001203134	1	44	0.0	-50.03	361.08	6.02	-44.01
CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001203259	0	53	0.0	-50.99	406.18	9.74	-41.25
CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001203259	1	53	0.0	-49.02	400.09	9.32	-39.70
CC1=CC(C)=C(NC(=O)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001203409	0	53	0.0	-48.17	401.42	8.04	-40.13
CC1=CC(C)=C(NC(=O)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001203409	1	53	0.0	-51.39	408.08	8.11	-43.28
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1	REAL300001203583	0	55	0.0	-52.75	395.32	6.65	-46.10
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1	REAL300001203583	1	55	0.0	-56.01	402.26	7.11	-48.90
O=C([O-])C1CCC[N@H+](CC(=O)NCCC(=O)N2CCCC2)C1	REAL300001203675	0	47	0.0	-57.53	361.19	5.92	-51.61
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC(=O)N2CCCC2)C1	REAL300001203675	1	47	0.0	-58.64	355.77	5.93	-52.71
CCN(CC1=CC=CS1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001203822	0	43	0.0	-45.71	344.33	9.51	-36.20
CCN(CC1=CC=CS1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001203822	1	43	0.0	-49.01	333.62	9.35	-39.66
CC(CCC1=CC=C(Br)C=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001203988	0	49	0.0	-50.31	400.10	10.59	-39.72
CC(CCC1=CC=C(Br)C=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001203988	1	49	0.0	-49.54	394.60	10.62	-38.92
CC(=O)NCC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001204089	0	50	0.0	-55.25	374.00	6.56	-48.69
CC(=O)NCC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001204089	1	50	0.0	-51.35	366.48	6.11	-45.24
CC1=CC=C(C)C(OC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300001204210	0	57	0.0	-49.54	422.35	11.33	-38.21
CC1=CC=C(C)C(OC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300001204210	1	57	0.0	-46.50	414.89	10.87	-35.63
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3=CC(F)=CC=C32)C1	REAL300001204322	0	44	0.0	-51.38	346.59	8.75	-42.63
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3=CC(F)=CC=C32)C1	REAL300001204322	1	44	0.0	-50.87	343.21	8.66	-42.21
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3OCCC3=C2)C1	REAL300001204397	0	42	0.0	-51.62	320.41	7.16	-44.46
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3OCCC3=C2)C1	REAL300001204397	1	42	0.0	-49.61	319.87	6.70	-42.91
COC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001204502	0	51	0.0	-53.18	392.29	7.45	-45.73
COC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001204502	1	51	0.0	-53.96	393.43	7.49	-46.47
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=CC(Cl)=C2Cl)C1	REAL300001204632	0	44	0.0	-51.24	377.81	8.06	-43.18
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=CC(Cl)=C2Cl)C1	REAL300001204632	1	44	0.0	-51.40	377.17	8.04	-43.36
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC2=CC=CC=C2O1	REAL300001204787	0	52	0.0	-48.04	390.02	12.46	-35.58
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC2=CC=CC=C2O1	REAL300001204787	1	52	0.0	-47.95	391.56	11.33	-36.62
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3=CC(Br)=CC=C32)C1	REAL300001204904	0	44	0.0	-50.58	361.48	9.31	-41.27
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3=CC(Br)=CC=C32)C1	REAL300001204904	1	44	0.0	-50.03	358.11	9.20	-40.83
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2CC2=CC=CC=C2Cl)C1	REAL300001205016	0	50	0.0	-47.17	386.87	11.40	-35.77
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2CC2=CC=CC=C2Cl)C1	REAL300001205016	1	50	0.0	-46.82	374.52	11.06	-35.76
CCCCOC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001205132	0	50	0.0	-51.34	384.30	9.11	-42.23
CCCCOC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001205132	1	50	0.0	-53.47	379.10	9.11	-44.36
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300001205254	0	50	0.0	-52.32	404.44	8.94	-43.38
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300001205254	1	50	0.0	-52.83	398.97	8.98	-43.85
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(Br)S2)C1	REAL300001205377	0	37	0.0	-49.26	328.60	7.25	-42.01
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(Br)S2)C1	REAL300001205377	1	37	0.0	-46.69	322.41	7.22	-39.47
COC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300001205541	0	44	0.0	-50.08	346.22	6.78	-43.30
COC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300001205541	1	44	0.0	-53.14	352.43	6.80	-46.34
CN1C=NN=C1C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001205655	0	49	0.0	-58.08	369.65	9.93	-48.15
CN1C=NN=C1C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001205655	1	49	0.0	-54.25	362.12	9.45	-44.80
CC(C)NC(=O)NC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001205778	0	55	0.0	-53.11	423.57	6.62	-46.49
CC(C)NC(=O)NC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001205778	1	55	0.0	-51.56	421.66	6.18	-45.38
CN1N=CC2=C1CCCC2NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001205888	0	47	0.0	-52.07	354.92	6.75	-45.32
CN1N=CC2=C1CCCC2NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001205888	1	47	0.0	-52.23	356.49	6.80	-45.43
CC1=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=NN1C	REAL300001205973	0	46	0.0	-49.31	347.82	5.99	-43.32
CC1=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=NN1C	REAL300001205973	1	46	0.0	-49.67	347.64	6.38	-43.29
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001206119	0	57	0.0	-43.23	378.30	10.84	-32.39
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001206119	1	57	0.0	-43.06	378.46	10.84	-32.22
CC1=NOC(C)=C1CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001206213	0	45	0.0	-49.52	336.18	8.08	-41.44
CC1=NOC(C)=C1CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001206213	1	45	0.0	-48.55	333.95	7.62	-40.93
CC(C)COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001206323	0	50	0.0	-51.66	398.95	9.58	-42.08
CC(C)COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001206323	1	50	0.0	-55.03	393.73	9.58	-45.45
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2N2CCC3=CC=CC=C32)C1	REAL300001206436	0	53	0.0	-46.32	405.03	12.35	-33.97
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2N2CCC3=CC=CC=C32)C1	REAL300001206436	1	53	0.0	-46.06	405.05	11.84	-34.22
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC2C2=CC=CC=C2)C1	REAL300001206562	0	44	0.0	-44.61	334.42	9.46	-35.15
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC2C2=CC=CC=C2)C1	REAL300001206562	1	44	0.0	-47.68	341.10	9.80	-37.88
CC(C)NC1=CC=C(F)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001206650	1	48	0.0	-51.28	369.52	7.96	-43.32
CC(C)NC1=CC=C(F)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001206650	1	48	0.0	-51.44	363.01	7.97	-43.47
CC1=NC(C2=CC=C(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)S2)=CS1	REAL300001206800	0	49	0.0	-53.73	409.73	8.81	-44.92
CC1=NC(C2=CC=C(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)S2)=CS1	REAL300001206800	1	49	0.0	-50.38	407.83	8.37	-42.01
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(C(F)(F)F)C=C2)C1	REAL300001206914	0	43	0.0	-48.09	347.32	7.96	-40.13
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(C(F)(F)F)C=C2)C1	REAL300001206914	1	43	0.0	-48.83	349.22	8.40	-40.43
CC(C1=CC=C(F)C=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001207174	0	46	0.0	-49.38	349.22	9.73	-39.65
CC(C1=CC=C(F)C=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001207174	1	46	0.0	-49.92	353.21	10.54	-39.38
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300001207282	0	48	0.0	-55.07	394.83	10.70	-44.37
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300001207282	1	48	0.0	-53.33	396.46	10.71	-42.62
COC1=CC=CC=C1OC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001207400	0	52	0.0	-54.54	403.80	10.11	-44.43
COC1=CC=CC=C1OC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001207400	1	52	0.0	-56.44	408.69	10.03	-46.41
COC1=CC=C(S(N)(=O)=O)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001207511	1	46	0.0	-56.50	372.99	1.67	-54.83
COC1=CC=C(S(N)(=O)=O)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001207511	1	46	0.0	-57.70	367.48	1.69	-56.01
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C4OCCOC4=C3)CCCC2)C1	REAL300001207611	0	56	0.0	-51.04	412.13	9.08	-41.96
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C4OCCOC4=C3)CCCC2)C1	REAL300001207611	1	56	0.0	-53.67	405.94	9.07	-44.60
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C#CC3=CC=CC=C3)=C2)C1	REAL300001207724	0	49	0.0	-56.47	393.90	12.49	-43.98
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C#CC3=CC=CC=C3)=C2)C1	REAL300001207724	1	49	0.0	-54.12	399.10	12.49	-41.63
NC(=O)COC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001207851	0	45	0.0	-60.52	358.03	4.71	-55.81
NC(=O)COC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001207851	1	45	0.0	-56.25	352.56	4.74	-51.51
CC1=NC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CS1	REAL300001207941	0	42	0.0	-52.20	338.25	5.89	-46.31
CC1=NC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CS1	REAL300001207941	1	42	0.0	-47.71	336.34	5.44	-42.27
CS(=O)(=O)N1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001208050	0	48	0.0	-58.51	360.30	4.87	-53.64
CS(=O)(=O)N1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001208050	1	48	0.0	-59.56	361.43	4.90	-54.66
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C#CC3=CC=CS3)=C2)C1	REAL300001208180	0	46	0.0	-56.63	384.05	11.58	-45.05
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C#CC3=CC=CS3)=C2)C1	REAL300001208180	1	46	0.0	-52.31	389.52	11.55	-40.76
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(Cl)=CC=C2OCC(F)(F)F)C1	REAL300001208285	1	44	0.0	-50.25	370.64	8.65	-41.60
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(Cl)=CC=C2OCC(F)(F)F)C1	REAL300001208285	1	44	0.0	-50.78	376.92	8.62	-42.16
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCC2=CC=CC=C21	REAL300001208352	0	47	0.0	-44.33	343.89	9.84	-34.49
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCC2=CC=CC=C21	REAL300001208352	1	47	0.0	-48.43	345.22	10.29	-38.14
C=CCNC(=O)NC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001208465	0	50	0.0	-57.54	395.90	6.25	-51.29
C=CCNC(=O)NC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001208465	1	50	0.0	-59.79	390.19	6.25	-53.54
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C(=O)N3CCCC3)C=C2)C1	REAL300001208627	0	51	0.0	-60.11	390.48	8.48	-51.63
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C(=O)N3CCCC3)C=C2)C1	REAL300001208627	1	51	0.0	-60.62	386.49	8.30	-52.32
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(NC(=O)NC3CC3)C=C2)C1	REAL300001208760	0	50	0.0	-57.99	394.09	6.51	-51.48
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(NC(=O)NC3CC3)C=C2)C1	REAL300001208760	1	50	0.0	-59.95	387.50	6.59	-53.36
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3NC=CC3=C2)C1	REAL300001208918	0	41	0.0	-53.82	316.27	7.35	-46.47
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3NC=CC3=C2)C1	REAL300001208918	1	41	0.0	-49.40	315.46	6.90	-42.50
CC(=O)NC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300001209020	1	44	0.0	-52.51	351.15	6.34	-46.17
CC(=O)NC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300001209020	1	44	0.0	-50.78	345.40	6.34	-44.44
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCN(C(=O)C3=COC=C3)CC2)C1	REAL300001209147	0	51	0.0	-56.06	392.02	6.76	-49.30
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCN(C(=O)C3=COC=C3)CC2)C1	REAL300001209147	1	51	0.0	-53.81	385.26	6.73	-47.08
CN(CC1=CC=C(F)C=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001209266	0	43	0.0	-44.72	335.52	9.46	-35.26
CN(CC1=CC=C(F)C=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001209266	1	43	0.0	-47.42	340.83	9.42	-38.00
CC(C)(C)NC(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001209388	0	53	0.0	-55.65	402.36	7.75	-47.90
CC(C)(C)NC(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001209388	1	53	0.0	-58.52	402.55	7.74	-50.78
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300001209517	0	41	0.0	-49.96	330.74	7.10	-42.86
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300001209517	1	41	0.0	-51.31	336.23	7.08	-44.23
COC1=CC=C(OC)C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001209645	0	48	0.0	-48.01	368.42	6.01	-42.00
COC1=CC=C(OC)C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001209645	1	48	0.0	-48.86	375.17	6.05	-42.81
CN(CC1=CC=CC=C1C(F)(F)F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001209774	0	46	0.0	-52.43	357.70	10.91	-41.52
CN(CC1=CC=CC=C1C(F)(F)F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001209774	1	46	0.0	-51.35	363.82	10.92	-40.43
CN(CC1=CC=CC=C1OC(F)(F)F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001209905	0	47	0.0	-44.01	370.85	9.36	-34.65
CN(CC1=CC=CC=C1OC(F)(F)F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001209905	1	47	0.0	-47.42	372.92	10.50	-36.92
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCN(C(=O)C2CC2)CC1	REAL300001210029	0	51	0.0	-54.95	385.19	7.46	-47.49
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCN(C(=O)C2CC2)CC1	REAL300001210029	1	51	0.0	-53.92	378.49	7.43	-46.49
O=C([O-])C1CCC[N@H+](CC(=O)NCCNC(=O)C2=CC=CC=C2Cl)C1	REAL300001210156	0	47	0.0	-56.66	385.81	6.38	-50.28
O=C([O-])C1CCC[N@@H+](CC(=O)NCCNC(=O)C2=CC=CC=C2Cl)C1	REAL300001210156	1	47	0.0	-55.93	385.17	6.36	-49.57
CC(C)CC(=O)NC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001210286	0	53	0.0	-58.58	399.55	8.42	-50.16
CC(C)CC(=O)NC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001210286	1	53	0.0	-54.29	405.25	8.38	-45.91
O=C([O-])C1=CC=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=C1	REAL300001210337	1	50	0.0	-83.04	398.98	8.67	-74.37
O=C([O-])COC1=CC=CC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=C1	REAL300001210338	1	54	0.0	-89.79	430.07	8.93	-80.86
O=C([O-])C1=CC=CC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=C1	REAL300001210339	1	50	0.0	-92.71	398.99	8.65	-84.06
O=C([O-])C1=CC=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)S1	REAL300001210340	1	47	0.0	-75.60	393.29	7.82	-67.78
O=C([O-])C1=CC=CC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=N1	REAL300001210341	1	49	0.0	-69.24	397.10	6.94	-62.30
O=C([O-])C1=CC=C(CCC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=C1	REAL300001210342	1	56	0.0	-86.40	445.05	10.15	-76.25
O=C([O-])C1=CC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=CC=N1	REAL300001210343	1	49	0.0	-95.26	395.08	6.89	-88.37
O=C([O-])C1=CC=C(C=CC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=C1	REAL300001210344	1	54	0.0	-86.37	433.51	9.85	-76.52
O=C([O-])C1=CC=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)O1	REAL300001210345	1	47	0.0	-70.81	385.42	7.06	-63.75
O=C([O-])C1=CC=CC=C1CCC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210346	1	56	0.0	-78.13	436.51	9.88	-68.25
O=C([O-])C1=CC(CC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=CC=C1	REAL300001210347	1	53	0.0	-90.16	423.66	9.32	-80.84
O=C([O-])C1(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CC1	REAL300001210348	1	47	0.0	-61.78	371.59	7.21	-54.57
O=C([O-])C1(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CC1	REAL300001210349	1	47	0.0	-61.78	371.59	7.21	-54.57
O=C([O-])C1CCCC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300001210350	1	56	0.0	-89.56	425.11	8.90	-80.66
O=C([O-])C1=CC=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=N1	REAL300001210351	1	49	0.0	-83.01	394.87	6.87	-76.14
O=C([O-])C1=CC=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)N=C1	REAL300001210352	1	49	0.0	-72.93	396.40	6.92	-66.01
CC(C)(CC(=O)[O-])CC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210353	1	55	0.0	-80.63	408.15	8.08	-72.55
O=C([O-])C1=CC=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C(F)=C1	REAL300001210354	1	50	0.0	-83.48	403.51	8.73	-74.75
O=C([O-])C1=CN=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=N1	REAL300001210355	1	48	0.0	-75.69	391.97	5.06	-70.63
O=C([O-])[C@H]1CC[C@H](C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CC1	REAL300001210356	1	56	0.0	-81.29	423.80	8.86	-72.43
O=C([O-])C1CCC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CC1	REAL300001210357	1	56	0.0	-83.72	417.26	8.72	-75.00
O=C([O-])C1=CC=C(CC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=C1	REAL300001210358	1	53	0.0	-92.74	423.66	9.33	-83.41
O=C([O-])C1=CN(CC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)N=N1	REAL300001210359	1	49	0.0	-94.50	400.81	5.31	-89.19
CC1=NC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=CC=C1C(=O)[O-]	REAL300001210360	1	52	0.0	-73.02	412.66	7.45	-65.57
O=C([O-])C1=CC=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=C1	REAL300001210361	1	50	0.0	-83.04	398.98	8.67	-74.37
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300001210362	1	53	0.0	-86.92	406.24	8.18	-78.74
O=C([O-])CC1=CC=CC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=C1	REAL300001210363	1	53	0.0	-85.99	421.18	9.41	-76.58
O=C([O-])CC1=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=CO1	REAL300001210364	1	50	0.0	-83.96	401.42	7.57	-76.39
CC1=COC(CC(=O)[O-])=C1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210365	1	53	0.0	-82.60	428.28	8.20	-74.40
O=C([O-])C1=CC=NC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=C1	REAL300001210366	1	49	0.0	-80.44	396.59	6.94	-73.50
O=C([O-])C12CC(C(=O)NCCC[NH+]3CCN(C4=NC=CC=N4)CC3)(C1)C2	REAL300001210367	1	51	0.0	-80.56	402.23	8.24	-72.32
O=C([O-])C1(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCC1	REAL300001210368	1	50	0.0	-63.23	385.79	7.64	-55.59
CC(C)(C(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210369	1	49	0.0	-84.58	378.75	7.91	-76.67
O=C([O-])C1CCC(CC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CC1	REAL300001210370	1	59	0.0	-87.40	443.79	9.58	-77.82
O=C([O-])C12CCC(C(=O)NCCC[NH+]3CCN(C4=NC=CC=N4)CC3)(CC1)C2	REAL300001210371	1	57	0.0	-90.55	432.96	9.04	-81.51
CC(C)(CC(=O)[O-])CC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210372	1	55	0.0	-80.63	408.15	8.08	-72.55
O=C([O-])CCCC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210373	1	49	0.0	-83.83	385.79	7.25	-76.58
CC(CC(=O)[O-])CC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210374	1	52	0.0	-82.74	398.40	7.70	-75.04
O=C([O-])C1=CC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=NO1	REAL300001210375	1	46	0.0	-71.41	379.86	6.21	-65.20
O=C([O-])C1(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CCCC1	REAL300001210376	1	53	0.0	-65.17	400.79	8.27	-56.90
CC1=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=C(C(=O)[O-])O1	REAL300001210377	1	50	0.0	-75.34	402.12	7.80	-67.54
CC1=C(C(=O)[O-])OC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=C1	REAL300001210378	1	50	0.0	-71.05	403.34	7.63	-63.42
O=C([O-])C1=CN(CC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)N=C1	REAL300001210379	1	50	0.0	-90.56	405.73	6.79	-83.77
O=C([O-])C=CC1=CC=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)O1	REAL300001210380	1	51	0.0	-74.53	418.54	8.24	-66.29
O=C([O-])C1(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CC2(CCC2)C1	REAL300001210381	1	57	0.0	-62.75	430.12	9.36	-53.39
O=C([O-])COC1=CC=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=C1	REAL300001210382	1	54	0.0	-82.86	429.99	8.94	-73.92
O=C([O-])CSCCC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210383	1	50	0.0	-79.61	408.82	7.84	-71.77
O=C([O-])C1=CC=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)N=C1	REAL300001210384	1	49	0.0	-72.93	396.40	6.92	-66.01
O=C([O-])COCC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210385	1	47	0.0	-86.11	377.92	6.50	-79.61
CN1N=C(C(=O)[O-])C=C1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210386	1	50	0.0	-80.79	401.43	6.32	-74.47
C[C@@H]1C[C@H](C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)O[C@H]1C(=O)[O-]	REAL300001210387	1	54	0.0	-88.27	421.33	8.16	-80.11
CC(C)(CCC(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210388	1	55	0.0	-86.30	416.96	8.21	-78.09
O=C([O-])CC1=CC=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=C1	REAL300001210389	1	53	0.0	-79.82	421.17	9.43	-70.39
O=C([O-])C=CC1=CC=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=C1	REAL300001210390	1	54	0.0	-84.45	431.06	9.95	-74.50
O=C([O-])C1=COC(C=CC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=C1	REAL300001210391	1	51	0.0	-82.89	418.06	8.10	-74.79
O=C([O-])CCC1=CC=CC=C1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210392	1	56	0.0	-87.14	433.97	10.18	-76.96
O=C([O-])C1=CC=C(C=CC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)O1	REAL300001210393	1	51	0.0	-78.64	419.59	8.46	-70.18
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300001210394	1	53	0.0	-86.92	406.24	8.18	-78.74
CC1=CC=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=C1C(=O)[O-]	REAL300001210395	1	53	0.0	-92.14	414.98	9.18	-82.96
O=C([O-])C1=CN=CC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=C1	REAL300001210396	1	49	0.0	-84.96	394.15	6.85	-78.11
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210397	1	52	0.0	-69.58	410.44	7.51	-62.07
O=C([O-])C1=NN(CC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=C1	REAL300001210398	1	50	0.0	-100.72	405.07	6.82	-93.90
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210399	1	50	0.0	-87.06	385.81	8.76	-78.30
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)O1	REAL300001210400	1	57	0.0	-90.46	442.54	8.60	-81.86
O=C([O-])[C@@H]1CO[C@H](CCC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300001210401	1	57	0.0	-82.32	441.79	7.44	-74.88
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210402	1	50	0.0	-87.06	385.81	8.76	-78.30
O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210403	1	47	0.0	-71.23	373.30	7.04	-64.19
CC1=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)OC(C(=O)[O-])=C1	REAL300001210404	1	50	0.0	-71.03	403.22	7.74	-63.29
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210405	1	58	0.0	-61.43	429.04	9.97	-51.46
CCC(C(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210406	1	49	0.0	-62.14	378.60	7.17	-54.97
CC(C)C(C(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210407	1	52	0.0	-65.53	399.85	7.66	-57.87
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210408	1	56	0.0	-81.96	412.38	9.43	-72.53
O=C([O-])C1CCC[N@H+](CC(=O)NCCCN2CCN(C3=NC=CC=N3)CC2)C1	REAL300001210409	0	58	0.0	-53.98	438.18	6.61	-47.37
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCN2CCN(C3=NC=CC=N3)CC2)C1	REAL300001210409	1	58	0.0	-53.12	431.97	6.59	-46.53
O=C([O-])[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210410	1	47	0.0	-78.53	375.36	7.17	-71.36
O=C([O-])C1CC12CC(C(=O)NCCC[NH+]1CCN(C3=NC=CC=N3)CC1)C2	REAL300001210411	1	54	0.0	-87.68	421.35	8.99	-78.69
O=C([O-])[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300001210412	1	50	0.0	-84.17	390.74	7.63	-76.54
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210413	1	56	0.0	-86.44	430.24	9.37	-77.07
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210414	1	53	0.0	-70.91	415.02	9.33	-61.58
CC1(C(=O)[O-])CC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C1	REAL300001210415	1	53	0.0	-74.54	408.16	8.06	-66.48
O=C([O-])C1=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=CS1	REAL300001210416	1	47	0.0	-88.36	386.06	8.62	-79.74
O=C([O-])C1=NNC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=C1	REAL300001210417	1	47	0.0	-87.50	382.85	5.08	-82.42
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210418	1	52	0.0	-82.74	404.63	7.41	-75.33
CCCC(C(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210419	1	52	0.0	-65.59	405.28	7.87	-57.72
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210420	1	53	0.0	-83.09	415.01	9.34	-73.75
O=C([O-])C1CC2(C1)CC(C(=O)NCCC[NH+]1CCN(C3=NC=CC=N3)CC1)C2	REAL300001210421	1	57	0.0	-84.52	439.95	9.50	-75.02
CN1C(C(=O)[O-])=CC=C1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210422	1	51	0.0	-83.19	401.60	7.86	-75.33
O=C([O-])C1(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CC=CC1	REAL300001210423	1	51	0.0	-65.41	395.46	8.19	-57.22
O=C([O-])CCC1=CC=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=C1	REAL300001210424	1	56	0.0	-82.14	442.57	10.24	-71.90
CC1=NNC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=C1C(=O)[O-]	REAL300001210425	1	50	0.0	-85.05	394.52	6.48	-78.57
O=C([O-])CC1(CC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CC1	REAL300001210426	1	53	0.0	-74.20	410.54	8.40	-65.80
O=C([O-])C1=NC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=CS1	REAL300001210427	1	46	0.0	-67.18	388.66	5.80	-61.38
COC(C(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210428	1	47	0.0	-66.54	374.36	6.38	-60.16
C[C@]1(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C[C@H]1C(=O)[O-]	REAL300001210429	1	50	0.0	-87.45	387.56	8.69	-78.76
CC1=C(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=C(C(=O)[O-])S1	REAL300001210430	1	50	0.0	-71.92	409.42	8.50	-63.42
O=C([O-])C1=NC=CC=C1CCC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210431	1	55	0.0	-81.96	432.12	8.13	-73.83
O=C([O-])C12CC(C(=O)NCCC[NH+]3CCN(C4=NC=CC=N4)CC3)(C1)OC2	REAL300001210432	1	52	0.0	-76.38	409.30	6.20	-70.18
CC(C(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210433	1	46	0.0	-83.05	361.64	7.29	-75.76
O=C([O-])C1=CC=C(/C=C/C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=C1	REAL300001210434	1	54	0.0	-86.39	433.51	9.85	-76.54
CC1CC1(C(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210435	1	50	0.0	-60.89	388.11	7.75	-53.14
O=C([O-])C1(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)CC2(CCC2)C1	REAL300001210436	1	57	0.0	-62.75	430.12	9.36	-53.39
CN1N=CC(C(=O)[O-])=C1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210437	1	50	0.0	-79.65	404.96	6.07	-73.58
O=C([O-])C1=COC2=C1NC(C(=O)NCCC[NH+]1CCN(C3=NC=CC=N3)CC1)=C2	REAL300001210438	1	51	0.0	-75.13	415.51	6.81	-68.32
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210439	1	53	0.0	-89.64	409.14	9.20	-80.44
O=C([O-])C1=CC=C(C=CC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C=N1	REAL300001210440	1	53	0.0	-87.81	429.28	8.08	-79.73
C=C1CCC1(C(=O)[O-])C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210441	1	51	0.0	-64.48	400.37	8.03	-56.45
O=C([O-])C1=CSC(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=C1	REAL300001210442	1	47	0.0	-87.40	392.20	7.67	-79.73
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210443	1	55	0.0	-75.14	418.88	6.88	-68.26
CC(C)[C@]1(C(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)C[C@H]1C(=O)[O-]	REAL300001210444	1	56	0.0	-69.30	428.95	8.87	-60.43
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210445	1	56	0.0	-94.21	440.37	9.81	-84.40
O=C([O-])C1=CSC(CC(=O)NCCC[NH+]2CCN(C3=NC=CC=N3)CC2)=C1	REAL300001210446	1	50	0.0	-89.62	415.20	8.47	-81.15
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300001210447	1	53	0.0	-75.89	406.29	8.24	-67.65
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C3=C4C=CSC4=NC=N3)CC2)C1	REAL300001210520	0	50	0.0	-50.54	381.20	8.36	-42.18
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C3=C4C=CSC4=NC=N3)CC2)C1	REAL300001210520	1	50	0.0	-55.48	388.75	8.80	-46.68
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3=CC=CC=C3)C2)C1	REAL300001210636	0	48	0.0	-46.12	358.19	8.50	-37.62
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3=CC=CC=C3)C2)C1	REAL300001210636	1	48	0.0	-49.64	365.00	8.90	-40.74
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1NC(C)=O	REAL300001210761	0	48	0.0	-52.26	374.04	5.61	-46.65
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1NC(C)=O	REAL300001210761	1	48	0.0	-50.70	368.57	5.65	-45.05
CS(=O)(=O)NC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001210881	0	45	0.0	-55.66	355.21	3.81	-51.85
CS(=O)(=O)NC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001210881	1	45	0.0	-55.75	355.82	4.23	-51.52
CC1=CC=C(C(=O)NCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300001211013	0	50	0.0	-57.00	399.33	6.55	-50.45
CC1=CC=C(C(=O)NCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300001211013	1	50	0.0	-57.61	399.97	6.57	-51.04
CC1=CC=C(S(=O)(=O)NCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001211138	0	51	0.0	-56.81	413.71	4.42	-52.39
CC1=CC=C(S(=O)(=O)NCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001211138	1	51	0.0	-57.59	414.36	4.44	-53.15
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3C=NC=N3)C=C2)C1	REAL300001211274	0	43	0.0	-59.49	344.18	9.82	-49.67
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3C=NC=N3)C=C2)C1	REAL300001211274	1	43	0.0	-56.85	344.29	9.80	-47.05
COC1=CC=CC=C1C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001211397	0	51	0.0	-52.20	398.22	10.37	-41.83
COC1=CC=CC=C1C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001211397	1	51	0.0	-51.99	392.93	10.37	-41.62
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(N3C=CC=N3)=C2)C1	REAL300001211515	0	44	0.0	-50.95	343.15	8.51	-42.44
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(N3C=CC=N3)=C2)C1	REAL300001211515	1	44	0.0	-55.42	348.36	8.51	-46.91
CC(C)(C)C(=O)N1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001211662	0	53	0.0	-56.83	379.20	7.84	-48.99
CC(C)(C)C(=O)N1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001211662	1	53	0.0	-52.05	371.73	7.38	-44.67
COC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1OC	REAL300001211786	0	48	0.0	-48.78	369.62	6.64	-42.14
COC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1OC	REAL300001211786	1	48	0.0	-49.18	375.80	6.66	-42.52
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3NC(=O)CCC3=C2)C1	REAL300001211910	0	45	0.0	-54.24	344.34	6.52	-47.72
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3NC(=O)CCC3=C2)C1	REAL300001211910	1	45	0.0	-56.60	349.80	6.48	-50.12
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3NC(=O)CC3=C2)C1	REAL300001212029	0	42	0.0	-55.37	326.53	5.79	-49.58
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3NC(=O)CC3=C2)C1	REAL300001212029	1	42	0.0	-53.51	325.98	5.31	-48.20
NC(=O)COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001212146	0	45	0.0	-61.32	358.82	4.70	-56.62
NC(=O)COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001212146	1	45	0.0	-62.01	358.99	4.70	-57.31
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001212218	0	46	0.0	-47.27	342.36	8.69	-38.58
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001212218	1	46	0.0	-48.08	342.97	8.71	-39.37
COC1=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300001212320	0	50	0.0	-47.47	380.89	8.87	-38.60
COC1=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300001212320	1	50	0.0	-48.46	387.09	8.89	-39.57
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2NC(=O)NC2=C1	REAL300001212501	0	47	0.0	-57.01	369.31	5.07	-51.94
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2NC(=O)NC2=C1	REAL300001212501	1	47	0.0	-57.74	370.48	5.10	-52.64
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3NC(C4=CC=CO4)=NC3=C2)C1	REAL300001212631	0	47	0.0	-53.70	373.29	7.86	-45.84
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3NC(C4=CC=CO4)=NC3=C2)C1	REAL300001212631	1	47	0.0	-53.38	372.19	7.43	-45.95
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3N=C(C4=CC=CO4)NC3=C2)C1	REAL300001212631	1	47	0.0	-57.33	373.20	7.85	-49.48
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3N=C(C4=CC=CO4)NC3=C2)C1	REAL300001212631	1	47	0.0	-54.48	372.40	7.40	-47.08
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NC(C3=CC=CC=C3)=CS2)C1	REAL300001212760	1	46	0.0	-50.65	379.80	8.17	-42.48
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NC(C3=CC=CC=C3)=CS2)C1	REAL300001212760	1	46	0.0	-50.43	373.61	8.15	-42.28
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001212850	0	44	0.0	-48.86	330.96	7.02	-41.84
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001212850	1	44	0.0	-51.02	331.77	7.46	-43.56
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(F)=CC=C2F)C1	REAL300001212955	0	40	0.0	-48.69	328.79	7.51	-41.18
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(F)=CC=C2F)C1	REAL300001212955	1	40	0.0	-47.82	322.49	7.49	-40.33
CC(C)C(=O)NC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001213063	0	50	0.0	-55.63	386.50	7.65	-47.98
CC(C)C(=O)NC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001213063	1	50	0.0	-53.50	381.00	7.69	-45.81
CS(=O)(=O)NC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001213193	0	45	0.0	-59.28	363.54	4.01	-55.27
CS(=O)(=O)NC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001213193	1	45	0.0	-57.03	358.15	4.04	-52.99
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(F)C(C(F)(F)F)=C2)C1	REAL300001213323	1	40	0.0	-52.85	329.10	8.37	-44.48
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(F)C(C(F)(F)F)=C2)C1	REAL300001213323	1	40	0.0	-54.41	334.54	8.34	-46.07
COC1=CC=C2NC=C(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300001213456	0	51	0.0	-52.96	393.45	7.51	-45.45
COC1=CC=C2NC=C(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300001213456	1	51	0.0	-50.47	391.54	7.07	-43.40
CC1(C2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)NC(=O)NC1=O	REAL300001213658	0	49	0.0	-58.13	378.98	4.07	-54.06
CC1(C2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)NC(=O)NC1=O	REAL300001213658	1	49	0.0	-56.82	386.90	4.33	-52.49
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC=C(F)C=C3)CC2)C1	REAL300001213775	0	54	0.0	-50.67	409.12	8.58	-42.09
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC=C(F)C=C3)CC2)C1	REAL300001213775	1	54	0.0	-52.85	416.59	9.05	-43.80
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC=C(F)C=C3)CC2)C1	REAL300001213890	0	51	0.0	-51.49	385.04	8.76	-42.73
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC=C(F)C=C3)CC2)C1	REAL300001213890	1	51	0.0	-56.11	392.23	9.23	-46.88
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(NC(=O)C3CC3)=C2)C1	REAL300001214045	0	48	0.0	-50.99	371.73	7.79	-43.20
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(NC(=O)C3CC3)=C2)C1	REAL300001214045	1	48	0.0	-55.71	377.23	7.77	-47.94
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2N2C=CC=N2)C1	REAL300001214158	0	44	0.0	-46.36	338.33	9.17	-37.19
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2N2C=CC=N2)C1	REAL300001214158	1	44	0.0	-45.65	337.09	8.76	-36.89
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(NC(=O)C3CCC3)=C2)C1	REAL300001214270	0	54	0.0	-54.93	420.13	8.41	-46.52
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(NC(=O)C3CCC3)=C2)C1	REAL300001214270	1	54	0.0	-53.89	413.90	8.39	-45.50
CC(=O)NC1=CC=CC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001214395	0	50	0.0	-54.46	389.64	7.14	-47.32
CC(=O)NC1=CC=CC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001214395	1	50	0.0	-55.52	390.79	7.18	-48.34
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC=CC=C3F)CC2)C1	REAL300001214586	0	54	0.0	-60.10	414.64	8.73	-51.37
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC=CC=C3F)CC2)C1	REAL300001214586	1	54	0.0	-54.73	411.64	8.76	-45.97
COC1=CC=CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001214689	0	47	0.0	-51.90	361.51	7.47	-44.43
COC1=CC=CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001214689	1	47	0.0	-48.14	359.59	7.03	-41.11
CCS(=O)(=O)NC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001214809	0	48	0.0	-61.88	383.36	4.86	-57.02
CCS(=O)(=O)NC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001214809	1	48	0.0	-58.07	385.90	4.89	-53.18
CC(C)C(=O)N1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001214934	0	53	0.0	-54.00	380.56	8.66	-45.34
CC(C)C(=O)N1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001214934	1	53	0.0	-60.43	379.82	9.04	-51.39
C=CCN(CC=C)C(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001215057	0	55	0.0	-58.20	428.78	10.13	-48.07
C=CCN(CC=C)C(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001215057	1	55	0.0	-56.24	428.78	10.13	-46.11
COC1=CC=C(CCCN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001215178	0	53	0.0	-49.17	407.14	10.33	-38.84
COC1=CC=C(CCCN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001215178	1	53	0.0	-50.13	407.03	10.34	-39.79
CCS(=O)(=O)NC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300001215305	0	51	0.0	-58.11	402.83	5.65	-52.46
CCS(=O)(=O)NC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300001215305	1	51	0.0	-55.25	397.08	5.70	-49.55
CCS(=O)(=O)NC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001215411	0	52	0.0	-59.16	413.60	4.25	-54.91
CCS(=O)(=O)NC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001215411	1	52	0.0	-60.08	408.13	4.27	-55.81
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC(F)(F)F)C2=CC=CC=C2)C1	REAL300001215513	0	46	0.0	-50.31	354.88	9.23	-41.08
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC(F)(F)F)C2=CC=CC=C2)C1	REAL300001215513	1	46	0.0	-48.78	360.32	9.18	-39.60
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2CCCCC2)C2CC2)C1	REAL300001215614	0	53	0.0	-46.85	371.54	10.94	-35.91
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2CCCCC2)C2CC2)C1	REAL300001215614	1	53	0.0	-45.01	373.24	10.98	-34.03
CCCCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001215714	0	53	0.0	-48.38	395.81	9.54	-38.84
CCCCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001215714	1	53	0.0	-50.75	396.61	9.98	-40.77
CCCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001215820	0	50	0.0	-48.34	374.32	8.76	-39.58
CCCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001215820	1	50	0.0	-50.77	375.11	9.19	-41.58
COCCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001215936	0	48	0.0	-53.94	390.97	7.35	-46.59
COCCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001215936	1	48	0.0	-57.83	385.76	7.35	-50.48
O=C([O-])C1CCC[N@H+](CC(=O)NCCCOCCC2=CC=CC=C2)C1	REAL300001216148	0	53	0.0	-49.86	415.22	9.03	-40.83
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCOCCC2=CC=CC=C2)C1	REAL300001216148	1	53	0.0	-49.20	414.58	9.01	-40.19
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300001216238	0	44	0.0	-51.24	339.53	7.35	-43.89
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300001216238	1	44	0.0	-51.70	334.31	7.35	-44.35
CN(CCCOC1=CC=CC(Cl)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001216345	0	50	0.0	-49.80	403.11	10.37	-39.43
CN(CCCOC1=CC=CC(Cl)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001216345	1	50	0.0	-50.76	396.92	10.52	-40.24
CC1=CC=CC=C1OCCCN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001216470	0	53	0.0	-49.26	406.19	10.59	-38.67
CC1=CC=CC=C1OCCCN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001216470	1	53	0.0	-50.34	406.07	10.60	-39.74
CC(C)COC1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001216599	0	53	0.0	-46.67	402.40	9.16	-37.51
CC(C)COC1=CC=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001216599	1	53	0.0	-46.70	408.59	9.18	-37.52
CN(CCCOC1=CC=C(Cl)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001216729	0	50	0.0	-49.21	402.84	10.36	-38.85
CN(CCCOC1=CC=C(Cl)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001216729	1	50	0.0	-50.34	402.73	10.37	-39.97
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(OCC3=CC=CC(F)=C3)=C2)C1	REAL300001216851	0	51	0.0	-55.86	402.43	10.65	-45.21
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(OCC3=CC=CC(F)=C3)=C2)C1	REAL300001216851	1	51	0.0	-53.47	407.63	10.65	-42.82
CC(C)NC(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001216972	0	50	0.0	-54.17	383.02	7.29	-46.88
CC(C)NC(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001216972	1	50	0.0	-59.50	389.37	7.26	-52.24
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C(=O)N3CCCCC3)=C2)C1	REAL300001217102	0	54	0.0	-62.34	399.94	9.27	-53.07
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C(=O)N3CCCCC3)=C2)C1	REAL300001217102	1	54	0.0	-58.23	404.91	9.21	-49.02
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C(=O)N3CCCCCC3)C=C2)C1	REAL300001217224	0	57	0.0	-57.48	415.78	10.12	-47.36
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C(=O)N3CCCCCC3)C=C2)C1	REAL300001217224	1	57	0.0	-56.96	415.20	10.06	-46.90
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3CCCC3)C(F)=C2)C1	REAL300001217344	0	49	0.0	-50.37	365.20	7.71	-42.66
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3CCCC3)C(F)=C2)C1	REAL300001217344	1	49	0.0	-53.92	370.74	7.68	-46.24
CC(C)N(CC1=CC=C(Cl)C(Cl)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001217459	0	49	0.0	-48.03	390.54	11.41	-36.62
CC(C)N(CC1=CC=C(Cl)C(Cl)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001217459	1	49	0.0	-52.63	391.46	11.84	-40.79
CCC(=O)N1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001217560	0	50	0.0	-58.93	368.23	8.57	-50.36
CCC(=O)N1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001217560	1	50	0.0	-60.93	362.69	8.60	-52.33
CC(C)CNC(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001217666	1	53	0.0	-57.77	420.68	8.45	-49.32
CC(C)CNC(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001217666	1	53	0.0	-63.11	415.50	8.46	-54.65
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C(=O)NC3=CC=CC(F)=C3)=C2)C1	REAL300001217786	1	51	0.0	-66.95	402.71	9.41	-57.54
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C(=O)NC3=CC=CC(F)=C3)=C2)C1	REAL300001217786	1	51	0.0	-60.99	408.17	9.39	-51.60
CC1=NC(C2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)=NN1	REAL300001217898	0	46	0.0	-54.81	367.07	8.03	-46.78
CC1=NC(C2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)=NN1	REAL300001217898	1	46	0.0	-59.57	361.62	8.05	-51.52
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC3=C2OCO3)C1	REAL300001218071	0	43	0.0	-50.16	343.27	6.09	-44.07
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC3=C2OCO3)C1	REAL300001218071	1	43	0.0	-49.94	336.54	6.05	-43.89
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300001218177	0	54	0.0	-56.36	429.15	6.25	-50.11
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300001218177	1	54	0.0	-53.73	423.69	6.28	-47.45
CCCNC(=O)CN(CCC)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001218272	0	52	0.0	-48.22	397.26	7.64	-40.58
CCCNC(=O)CN(CCC)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001218272	1	52	0.0	-54.58	386.69	7.58	-47.00
CC(C)CCOCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001218334	0	49	0.0	-46.73	372.17	6.54	-40.19
CC(C)CCOCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001218334	1	49	0.0	-47.05	372.81	6.56	-40.49
CC1=CC(C)=CC(OC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=C1	REAL300001218462	0	54	0.0	-52.59	417.66	11.58	-41.01
CC1=CC(C)=CC(OC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=C1	REAL300001218462	1	54	0.0	-50.14	414.12	11.03	-39.11
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C1	REAL300001218584	0	48	0.0	-53.70	385.14	10.22	-43.48
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C1	REAL300001218584	1	48	0.0	-51.74	380.86	10.25	-41.49
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OCCC3=CC=CC=C3)CC2)C1	REAL300001218734	0	57	0.0	-45.58	422.77	10.83	-34.75
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OCCC3=CC=CC=C3)CC2)C1	REAL300001218734	1	57	0.0	-48.75	430.22	11.30	-37.45
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(NC(=O)C3CCCC3)=C2)C1	REAL300001218925	0	57	0.0	-54.87	436.32	9.01	-45.86
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(NC(=O)C3CCCC3)=C2)C1	REAL300001218925	1	57	0.0	-53.86	430.09	8.99	-44.87
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001219120	1	51	0.0	-55.90	388.02	6.57	-49.33
COC1=CC=C(C(=O)N(C)C)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001219120	1	51	0.0	-60.45	384.25	6.57	-53.88
CCCNC(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001219237	0	50	0.0	-54.16	383.89	7.22	-46.94
CCCNC(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001219237	1	50	0.0	-57.84	390.24	7.19	-50.65
CC1=CC=CC(C(=O)NCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001219366	0	50	0.0	-54.76	394.05	6.51	-48.25
CC1=CC=CC(C(=O)NCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001219366	1	50	0.0	-55.36	394.69	6.53	-48.83
CC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001219474	0	49	0.0	-50.10	370.12	9.37	-40.73
CC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001219474	1	49	0.0	-50.24	376.33	9.39	-40.85
COC1=CC=C(CCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001219592	0	50	0.0	-50.35	388.56	8.25	-42.10
COC1=CC=C(CCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001219592	1	50	0.0	-50.87	389.21	8.27	-42.60
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC=CC(F)=C2)C1	REAL300001219794	0	47	0.0	-48.04	364.83	10.91	-37.13
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC=CC(F)=C2)C1	REAL300001219794	1	47	0.0	-50.65	358.62	10.89	-39.76
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(F)C(Br)=C2)C1	REAL300001219906	0	43	0.0	-50.25	357.10	8.38	-41.87
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(F)C(Br)=C2)C1	REAL300001219906	1	43	0.0	-53.60	359.00	8.83	-44.77
COC1=CC=CC(CC2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001220018	0	54	0.0	-48.97	400.80	10.39	-38.58
COC1=CC=CC(CC2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001220018	1	54	0.0	-44.01	392.59	10.20	-33.81
COCCCN(CCOC)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001220108	0	50	0.0	-44.32	378.44	6.64	-37.68
COCCCN(CCOC)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001220108	1	50	0.0	-45.85	373.03	6.67	-39.18
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C(F)F)=C2)C1	REAL300001220188	0	40	0.0	-50.26	316.91	8.18	-42.08
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C(F)F)=C2)C1	REAL300001220188	1	40	0.0	-52.75	324.10	8.23	-44.52
O=C([O-])C1CCC[N@H+](CC(=O)NCC(=O)NC2=CC=CC3=CC=CC=C32)C1	REAL300001220298	0	50	0.0	-52.86	393.14	8.22	-44.64
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(=O)NC2=CC=CC3=CC=CC=C32)C1	REAL300001220298	1	50	0.0	-49.65	385.97	8.17	-41.48
CC1=NC(C(C)(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300001220381	0	44	0.0	-46.54	334.47	4.08	-42.46
CC1=NC(C(C)(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300001220381	1	44	0.0	-46.59	333.31	3.64	-42.95
COC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC(F)F	REAL300001220483	0	51	0.0	-55.93	400.50	7.66	-48.27
COC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC(F)F	REAL300001220483	1	51	0.0	-51.82	398.59	7.21	-44.61
CC1=CC=C(CC(=O)N2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001220601	0	57	0.0	-58.24	431.67	10.84	-47.40
CC1=CC=C(CC(=O)N2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001220601	1	57	0.0	-53.87	424.18	10.38	-43.49
O=C([O-])C1CCC[N@H+](CC(=O)NCC(=O)NC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300001220719	0	51	0.0	-56.23	408.21	7.00	-49.23
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(=O)NC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300001220719	1	51	0.0	-54.28	401.74	6.99	-47.29
CNC(=O)C1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300001220797	0	47	0.0	-59.22	345.35	4.72	-54.50
CNC(=O)C1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300001220797	1	47	0.0	-58.40	351.75	4.73	-53.67
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=C(Cl)C=CC=C1Cl	REAL300001220892	0	46	0.0	-44.70	363.45	9.98	-34.72
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=C(Cl)C=CC=C1Cl	REAL300001220892	1	46	0.0	-45.23	364.12	10.00	-35.23
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OCC(F)F	REAL300001221007	0	47	0.0	-56.29	374.39	8.60	-47.69
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OCC(F)F	REAL300001221007	1	47	0.0	-55.73	369.22	8.61	-47.12
COCCN(CC(F)F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001221164	0	43	0.0	-46.68	332.61	6.68	-40.00
COCCN(CC(F)F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001221164	1	43	0.0	-52.75	328.84	6.71	-46.04
CCC(CC)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001221286	0	55	0.0	-50.06	408.78	10.74	-39.32
CCC(CC)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001221286	1	55	0.0	-47.04	406.87	10.29	-36.75
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC=CC3=C2OCCO3)C1	REAL300001221418	0	53	0.0	-52.17	399.87	10.10	-42.07
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC=CC3=C2OCCO3)C1	REAL300001221418	1	53	0.0	-52.83	392.91	10.00	-42.83
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=C(Cl)C=CC=C1Cl	REAL300001221533	0	46	0.0	-48.33	368.49	9.37	-38.96
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=C(Cl)C=CC=C1Cl	REAL300001221533	1	46	0.0	-45.38	367.34	8.93	-36.45
CCOCC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001221645	0	47	0.0	-50.37	366.87	7.99	-42.38
CCOCC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001221645	1	47	0.0	-51.74	361.67	8.01	-43.73
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3=CC=CC=C3C3=CC=CC=C3C2)C1	REAL300001221856	0	51	0.0	-45.06	380.26	11.69	-33.37
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3=CC=CC=C3C3=CC=CC=C3C2)C1	REAL300001221856	1	51	0.0	-44.95	380.09	11.69	-33.26
O=C([O-])C1CCC[N@H+](CC(=O)NCC(=O)N2CCC3=CC=CC=C32)C1	REAL300001221985	0	48	0.0	-50.11	370.11	7.68	-42.43
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(=O)N2CCC3=CC=CC=C32)C1	REAL300001221985	1	48	0.0	-47.11	363.91	7.66	-39.45
CC1=CC=C(C2CCCCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)O1	REAL300001222103	0	53	0.0	-47.38	377.02	11.58	-35.80
CC1=CC=C(C2CCCCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)O1	REAL300001222103	1	53	0.0	-47.89	384.24	11.61	-36.28
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC=C3F)CC2)C1	REAL300001222200	0	44	0.0	-47.66	348.06	8.65	-39.01
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC=C3F)CC2)C1	REAL300001222200	1	44	0.0	-45.06	341.85	8.67	-36.39
CC1=CC=C(CC(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001222363	0	46	0.0	-46.61	369.86	8.98	-37.63
CC1=CC=C(CC(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001222363	1	46	0.0	-45.88	364.40	9.00	-36.88
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC2=CC=CC=C2)C2CC2)C1	REAL300001222479	0	50	0.0	-49.25	375.26	10.64	-38.61
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC2=CC=CC=C2)C2CC2)C1	REAL300001222479	1	50	0.0	-45.69	371.56	10.70	-34.99
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC=CC=C3F)CC2)C1	REAL300001222624	0	51	0.0	-54.75	384.86	8.77	-45.98
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC=CC=C3F)CC2)C1	REAL300001222624	1	51	0.0	-60.14	390.39	9.18	-50.96
CC1=CC=CC=C1C1CC(C)N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001222749	0	53	0.0	-46.37	391.85	11.43	-34.94
CC1=CC=CC=C1C1CC(C)N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001222749	1	53	0.0	-47.08	391.64	11.42	-35.66
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC(C1=CC=CS1)C1=CC=CS1	REAL300001222869	1	44	0.0	-44.48	367.43	9.04	-35.44
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC(C1=CC=CS1)C1=CC=CS1	REAL300001222869	1	44	0.0	-46.05	369.34	9.50	-36.55
COC1=CC=C(N(CCC2=CC=CC=C2)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001222988	0	57	0.0	-47.42	436.17	12.45	-34.97
COC1=CC=C(N(CCC2=CC=CC=C2)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001222988	1	57	0.0	-51.12	437.01	12.91	-38.21
CCCC(O)(CCC)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001223056	0	52	0.0	-49.46	381.58	5.78	-43.68
CCCC(O)(CCC)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001223056	1	52	0.0	-47.31	381.83	5.70	-41.61
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OCC1CCOCC1	REAL300001223161	0	58	0.0	-51.75	435.69	9.26	-42.49
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OCC1CCOCC1	REAL300001223161	1	58	0.0	-51.82	430.48	9.27	-42.55
CC(C)CCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001223277	0	53	0.0	-50.84	402.66	9.62	-41.22
CC(C)CCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001223277	1	53	0.0	-51.59	402.82	9.62	-41.97
CC(=O)N(C)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001223405	0	47	0.0	-58.23	356.66	7.56	-50.67
CC(=O)N(C)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001223405	1	47	0.0	-59.33	351.70	7.52	-51.81
CNC(=O)CC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001223521	0	50	0.0	-49.75	370.92	6.38	-43.37
CNC(=O)CC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001223521	1	50	0.0	-47.88	363.45	5.91	-41.97
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1N1C=NN=N1	REAL300001223644	0	46	0.0	-64.66	365.69	6.99	-57.67
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1N1C=NN=N1	REAL300001223644	1	46	0.0	-62.79	360.23	7.02	-55.77
CC1=NC(C)=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001223738	0	42	0.0	-48.26	336.76	5.86	-42.40
CC1=NC(C)=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001223738	1	42	0.0	-47.24	334.85	5.42	-41.82
CSCC(C)(O)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001223803	0	44	0.0	-48.97	347.78	3.81	-45.16
CSCC(C)(O)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001223803	1	44	0.0	-46.96	341.06	3.39	-43.57
COC1=CC=C(Cl)C=C1C(CC(C)C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001223886	0	56	0.0	-46.14	419.94	9.96	-36.18
COC1=CC=C(Cl)C=C1C(CC(C)C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001223886	1	56	0.0	-48.75	429.75	11.60	-37.15
CNC(=O)C1=CC=CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001223988	0	50	0.0	-57.80	388.47	6.44	-51.36
CNC(=O)C1=CC=CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001223988	1	50	0.0	-53.17	386.57	6.00	-47.17
CCC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC(C)=CS1	REAL300001224105	0	48	0.0	-46.44	368.34	7.03	-39.41
CCC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC(C)=CS1	REAL300001224105	1	48	0.0	-45.54	362.88	7.05	-38.49
CCC1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001224176	0	46	0.0	-46.15	346.47	8.85	-37.30
CCC1=CC=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001224176	1	46	0.0	-47.84	352.61	8.88	-38.96
COC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1OC	REAL300001224398	0	55	0.0	-54.24	425.19	7.40	-46.84
COC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1OC	REAL300001224398	1	55	0.0	-51.65	422.30	6.91	-44.74
COC1=CC=C2NC=C(C3CCN(C(=O)C[N@@H+]4CCCC(C(=O)[O-])C4)CC3)C2=C1	REAL300001224506	0	58	0.0	-51.62	436.12	10.41	-41.21
COC1=CC=C2NC=C(C3CCN(C(=O)C[N@H+]4CCCC(C(=O)[O-])C4)CC3)C2=C1	REAL300001224506	1	58	0.0	-48.88	428.60	9.93	-38.95
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC=CC3=CC=CC=C32)C1	REAL300001224607	0	53	0.0	-50.04	398.42	12.94	-37.10
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC=CC3=CC=CC=C32)C1	REAL300001224607	1	53	0.0	-51.34	392.23	12.92	-38.42
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=C(F)C=C3)CCCCC2)C1	REAL300001224722	0	56	0.0	-48.76	409.08	10.87	-37.89
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=C(F)C=C3)CCCCC2)C1	REAL300001224722	1	56	0.0	-48.68	402.62	10.88	-37.80
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=C(F)C=C3)CCOCC2)C1	REAL300001224844	0	54	0.0	-51.32	400.94	8.54	-42.78
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=C(F)C=C3)CCOCC2)C1	REAL300001224844	1	54	0.0	-50.72	394.29	8.52	-42.20
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC(F)=C3)CCCCC2)C1	REAL300001225255	0	56	0.0	-47.92	409.09	10.87	-37.05
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC(F)=C3)CCCCC2)C1	REAL300001225255	1	56	0.0	-45.55	402.60	10.88	-34.67
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300001225377	0	54	0.0	-51.25	400.60	8.55	-42.70
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300001225377	1	54	0.0	-49.48	394.30	8.52	-40.96
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC(Cl)=C3)CCOCC2)C1	REAL300001225489	0	54	0.0	-50.34	410.92	8.99	-41.35
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC(Cl)=C3)CCOCC2)C1	REAL300001225489	1	54	0.0	-48.70	404.62	8.96	-39.74
COC1=CC=C(C2(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCOCC2)C=C1	REAL300001225679	0	58	0.0	-51.04	417.37	7.74	-43.30
COC1=CC=C(C2(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCOCC2)C=C1	REAL300001225679	1	58	0.0	-50.82	424.02	7.77	-43.05
COC1=CC=C(C2(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCCCC2)C=C1	REAL300001225792	0	60	0.0	-49.16	425.69	10.10	-39.06
COC1=CC=C(C2(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCCCC2)C=C1	REAL300001225792	1	60	0.0	-48.29	432.16	10.10	-38.19
CC1=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)SC(C2=CC=CC=C2)=N1	REAL300001225909	0	52	0.0	-48.23	412.38	9.31	-38.92
CC1=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)SC(C2=CC=CC=C2)=N1	REAL300001225909	1	52	0.0	-49.76	413.63	9.77	-39.99
O=C([O-])C1CCC[N@H+](CC(=O)N(C2CC2)C2CCCCC2)C1	REAL300001225986	0	50	0.0	-45.72	352.23	10.36	-35.36
O=C([O-])C1CCC[N@@H+](CC(=O)N(C2CC2)C2CCCCC2)C1	REAL300001225986	1	50	0.0	-45.08	357.54	10.33	-34.75
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)C1	REAL300001226094	0	62	0.0	-49.94	445.65	7.59	-42.35
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)C1	REAL300001226094	1	62	0.0	-52.29	453.08	8.04	-44.25
O=C([O-])C1CCC[N@H+](CC(=O)NCCSCC2=CC=CC3=CC=CC=C32)C1	REAL300001226202	0	53	0.0	-53.03	425.39	11.68	-41.35
O=C([O-])C1CCC[N@@H+](CC(=O)NCCSCC2=CC=CC3=CC=CC=C32)C1	REAL300001226202	1	53	0.0	-52.34	424.75	11.66	-40.68
COC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1C	REAL300001226444	0	47	0.0	-48.09	360.07	7.45	-40.64
COC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1C	REAL300001226444	1	47	0.0	-49.75	366.28	7.47	-42.28
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCOC3=C(Cl)C=CC=C32)C1	REAL300001226563	0	45	0.0	-53.20	357.78	7.82	-45.38
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCOC3=C(Cl)C=CC=C32)C1	REAL300001226563	1	45	0.0	-52.38	356.53	7.79	-44.59
COC1=CC=C(OC)C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001226692	0	51	0.0	-51.10	389.80	6.80	-44.30
COC1=CC=C(OC)C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001226692	1	51	0.0	-51.17	396.00	6.82	-44.35
CC(C)OC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001226821	0	53	0.0	-49.22	402.82	9.10	-40.12
CC(C)OC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001226821	1	53	0.0	-48.23	397.36	9.13	-39.10
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(=O)NCC1=CC=CC=C1	REAL300001226950	0	50	0.0	-48.79	394.57	6.75	-42.04
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(=O)NCC1=CC=CC=C1	REAL300001226950	1	50	0.0	-49.57	395.74	6.78	-42.79
CC1=CC=C(CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)C)S1	REAL300001227067	0	49	0.0	-45.78	375.43	10.57	-35.21
CC1=CC=C(CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)C)S1	REAL300001227067	1	49	0.0	-41.15	372.62	10.79	-30.36
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CO2)CC2=CC=CC=C2)C1	REAL300001227173	0	50	0.0	-45.15	387.88	11.61	-33.54
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CO2)CC2=CC=CC=C2)C1	REAL300001227173	1	50	0.0	-44.22	387.05	11.15	-33.07
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3OCCCOC3=C2)C1	REAL300001227291	0	46	0.0	-52.79	347.61	7.24	-45.55
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3OCCCOC3=C2)C1	REAL300001227291	1	46	0.0	-54.62	353.13	7.22	-47.40
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001227477	0	43	0.0	-49.22	350.25	8.77	-40.45
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001227477	1	43	0.0	-48.00	344.81	8.80	-39.20
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=NC4=CC=CC=C4S3)CC2)C1	REAL300001227587	0	52	0.0	-48.29	399.43	10.06	-38.23
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=NC4=CC=CC=C4S3)CC2)C1	REAL300001227587	1	52	0.0	-52.25	405.83	10.48	-41.77
CN(CC1=CC=C2OCCOC2=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001227705	0	49	0.0	-51.27	372.12	8.63	-42.64
CN(CC1=CC=C2OCCOC2=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001227705	1	49	0.0	-50.93	378.90	8.67	-42.26
CC(C)NS(=O)(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001227825	1	51	0.0	-57.38	401.37	5.00	-52.38
CC(C)NS(=O)(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001227825	1	51	0.0	-58.99	405.44	4.91	-54.08
CC1=CC=C2C(=C1)CCCN2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001227908	0	47	0.0	-51.31	342.63	10.59	-40.72
CC1=CC=C2C(=C1)CCCN2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001227908	1	47	0.0	-50.38	349.40	10.53	-39.85
CCC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001227996	0	49	0.0	-47.71	376.46	9.70	-38.01
CCC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001227996	1	49	0.0	-47.97	370.95	9.72	-38.25
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2C=C1	REAL300001228114	0	49	0.0	-49.59	379.54	10.53	-39.06
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2C=C1	REAL300001228114	1	49	0.0	-50.58	380.71	10.55	-40.03
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300001228243	0	43	0.0	-49.94	365.50	9.23	-40.71
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300001228243	1	43	0.0	-52.42	366.62	9.25	-43.17
CC1=CC=CC=C1C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001228328	0	46	0.0	-47.79	344.19	8.87	-38.92
CC1=CC=CC=C1C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001228328	1	46	0.0	-47.13	344.13	8.86	-38.27
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1Br	REAL300001228434	0	43	0.0	-49.67	344.15	8.78	-40.89
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1Br	REAL300001228434	1	43	0.0	-50.69	344.27	8.78	-41.91
CCNC(=O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001228569	0	47	0.0	-54.17	368.19	6.42	-47.75
CCNC(=O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001228569	1	47	0.0	-62.79	362.72	6.43	-56.36
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300001228685	0	43	0.0	-52.96	338.94	8.46	-44.50
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300001228685	1	43	0.0	-51.82	338.94	8.44	-43.38
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300001228806	0	43	0.0	-50.99	344.36	8.83	-42.16
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300001228806	1	43	0.0	-49.24	339.13	8.83	-40.41
CNS(=O)(=O)CC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001228926	0	51	0.0	-57.16	409.98	4.29	-52.87
CNS(=O)(=O)CC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001228926	1	51	0.0	-54.85	408.07	3.84	-51.01
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2CN2C=CC=N2)C1	REAL300001229046	0	50	0.0	-51.82	392.10	9.32	-42.50
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2CN2C=CC=N2)C1	REAL300001229046	1	50	0.0	-52.09	385.98	9.29	-42.80
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC3=CC=CC=C3O2)C2=CC=CC=C2)C1	REAL300001229158	0	53	0.0	-48.75	417.20	12.03	-36.72
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC3=CC=CC=C3O2)C2=CC=CC=C2)C1	REAL300001229158	1	53	0.0	-48.14	416.35	11.57	-36.57
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC(Cl)=C3OCCOC3=C2)C1	REAL300001229262	0	49	0.0	-51.10	390.56	7.43	-43.67
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC(Cl)=C3OCCOC3=C2)C1	REAL300001229262	1	49	0.0	-54.51	392.47	7.87	-46.64
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(NC(=O)C3CC3)C=C2)C1	REAL300001229387	0	51	0.0	-51.22	395.78	7.44	-43.78
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(NC(=O)C3CC3)C=C2)C1	REAL300001229387	1	51	0.0	-53.93	397.42	7.89	-46.04
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC=C3)CCCC2)C1	REAL300001229518	0	53	0.0	-47.37	389.69	11.04	-36.33
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC=C3)CCCC2)C1	REAL300001229518	1	53	0.0	-45.80	384.66	10.99	-34.81
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC=CC=C3)CC2)C1	REAL300001229648	0	54	0.0	-50.64	402.73	8.50	-42.14
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC=CC=C3)CC2)C1	REAL300001229648	1	54	0.0	-53.10	410.17	8.95	-44.15
CC1=CC=C(CCC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001229774	0	59	0.0	-47.95	436.40	13.23	-34.72
CC1=CC=C(CCC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001229774	1	59	0.0	-44.55	428.93	12.77	-31.78
CC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300001230025	0	43	0.0	-48.35	337.22	8.10	-40.25
CC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300001230025	1	43	0.0	-50.35	343.43	8.12	-42.23
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C(=O)NC3CC3)C=C2)C1	REAL300001230135	0	48	0.0	-57.46	378.86	7.31	-50.15
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C(=O)NC3CC3)C=C2)C1	REAL300001230135	1	48	0.0	-54.20	372.51	7.34	-46.86
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3CCNC3=O)C=C2)C1	REAL300001230265	0	47	0.0	-60.93	363.57	6.02	-54.91
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3CCNC3=O)C=C2)C1	REAL300001230265	1	47	0.0	-54.79	357.13	6.09	-48.70
NC(=O)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001230366	1	44	0.0	-50.77	349.33	4.47	-46.30
NC(=O)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001230366	1	44	0.0	-51.51	350.52	4.50	-47.01
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300001230475	1	49	0.0	-55.47	393.75	5.16	-50.31
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300001230475	1	49	0.0	-56.23	398.94	5.14	-51.09
CN1C=NN=C1SC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001230597	0	47	0.0	-58.56	383.83	10.67	-47.89
CN1C=NN=C1SC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001230597	1	47	0.0	-59.21	389.91	10.66	-48.55
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC=CC=C2)C1	REAL300001230705	0	47	0.0	-47.80	358.32	10.84	-36.96
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC=CC=C2)C1	REAL300001230705	1	47	0.0	-47.16	358.38	10.84	-36.32
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC(C1=CC=CS1)C1CC1	REAL300001230796	0	44	0.0	-45.27	341.76	9.32	-35.95
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC(C1=CC=CS1)C1CC1	REAL300001230796	1	44	0.0	-46.22	350.14	8.74	-37.48
CC1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1	REAL300001230944	0	50	0.0	-45.74	370.70	10.46	-35.28
CC1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1	REAL300001230944	1	50	0.0	-47.41	374.46	10.39	-37.02
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC=C3)CCC2)C1	REAL300001231055	0	50	0.0	-47.88	379.47	9.89	-37.99
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC=C3)CCC2)C1	REAL300001231055	1	50	0.0	-45.97	373.21	9.87	-36.10
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC=C3)CC2)C1	REAL300001231149	0	47	0.0	-47.16	367.15	9.41	-37.75
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC=C3)CC2)C1	REAL300001231149	1	47	0.0	-44.79	359.49	9.58	-35.21
COC1=CC2=CC=C(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2C=C1	REAL300001231265	0	50	0.0	-50.01	385.96	8.94	-41.07
COC1=CC2=CC=C(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2C=C1	REAL300001231265	1	50	0.0	-51.52	392.16	8.97	-42.55
CN1N=NN=C1C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001231397	0	45	0.0	-60.93	356.08	6.71	-54.22
CN1N=NN=C1C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001231397	1	45	0.0	-54.10	350.61	6.73	-47.37
COC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1N1CCCC1=O	REAL300001231527	0	52	0.0	-59.61	405.07	8.09	-51.52
COC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1N1CCCC1=O	REAL300001231527	1	52	0.0	-59.32	399.85	8.10	-51.22
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCC1=NN=C2CCCCCN12	REAL300001231652	0	52	0.0	-55.98	380.61	7.96	-48.02
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCC1=NN=C2CCCCCN12	REAL300001231652	1	52	0.0	-61.22	383.55	8.45	-52.77
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C3=NC4=CC=CC=C4N3)C2)C1	REAL300001231782	0	53	0.0	-51.24	392.32	9.28	-41.96
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C3=NC4=CC=CC=C4N3)C2)C1	REAL300001231782	1	53	0.0	-55.00	399.77	9.75	-45.25
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1	REAL300001231909	0	54	0.0	-53.31	383.49	5.82	-47.49
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1	REAL300001231909	1	54	0.0	-58.85	389.01	6.18	-52.67
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C3=NN=NN3C3CC3)=C2)C1	REAL300001232069	0	49	0.0	-56.21	381.98	8.29	-47.92
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C3=NN=NN3C3CC3)=C2)C1	REAL300001232069	1	49	0.0	-61.07	387.44	8.25	-52.82
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300001232193	0	49	0.0	-61.71	387.54	5.80	-55.91
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300001232193	1	49	0.0	-59.00	382.08	5.93	-53.07
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001232302	0	46	0.0	-49.15	364.12	9.40	-39.75
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001232302	1	46	0.0	-48.60	358.55	9.42	-39.18
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1	REAL300001232475	0	52	0.0	-47.32	388.70	5.04	-42.28
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1	REAL300001232475	1	52	0.0	-51.49	396.57	5.58	-45.91
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=CC(F)=C2)C1	REAL300001232593	0	44	0.0	-50.05	353.02	7.10	-42.95
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=CC(F)=C2)C1	REAL300001232593	1	44	0.0	-49.58	353.13	7.09	-42.49
CCOC1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)C=C1	REAL300001232690	0	57	0.0	-51.08	442.22	11.65	-39.43
CCOC1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)C=C1	REAL300001232690	1	57	0.0	-52.11	436.83	11.70	-40.41
CC1=NN=NN1C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001232794	0	45	0.0	-61.19	357.62	7.31	-53.88
CC1=NN=NN1C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001232794	1	45	0.0	-66.31	352.17	7.33	-58.98
CC1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C1	REAL300001232922	0	60	0.0	-55.67	432.10	10.14	-45.53
CC1CCCN(C(=O)C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C1	REAL300001232922	1	60	0.0	-51.13	424.48	9.64	-41.49
CC1=CC(C)=NN1C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001233046	0	50	0.0	-53.40	390.60	9.52	-43.88
CC1=CC(C)=NN1C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001233046	1	50	0.0	-60.69	383.61	9.52	-51.17
CCC1CCC(N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)CC1	REAL300001233164	0	56	0.0	-42.55	387.54	11.29	-31.26
CCC1CCC(N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)CC1	REAL300001233164	1	56	0.0	-43.47	376.22	11.39	-32.08
CC1CCC(N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)CC1	REAL300001233261	0	53	0.0	-44.30	362.91	10.56	-33.74
CC1CCC(N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)CC1	REAL300001233261	1	53	0.0	-40.18	359.54	10.07	-30.11
COC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Br	REAL300001233357	0	47	0.0	-50.10	383.49	8.23	-41.87
COC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Br	REAL300001233357	1	47	0.0	-53.06	384.61	8.26	-44.80
CCCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001233450	1	45	0.0	-48.27	350.79	9.18	-39.09
CCCCN(CC(F)(F)F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001233450	1	45	0.0	-44.65	345.29	9.22	-35.43
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCS(=O)(=O)CC2)C1	REAL300001233540	0	43	0.0	-60.12	337.87	3.13	-56.99
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCS(=O)(=O)CC2)C1	REAL300001233540	1	43	0.0	-58.16	331.73	3.15	-55.01
O=C([O-])C1CCC[N@H+](CC(=O)NCC(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001233661	0	53	0.0	-46.16	399.47	10.95	-35.21
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001233661	1	53	0.0	-47.81	401.38	11.39	-36.42
CN(CC1=NC2=CC=CC=C2N1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001233785	0	46	0.0	-52.58	361.22	8.27	-44.31
CN(CC1=NC2=CC=CC=C2N1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001233785	1	46	0.0	-51.09	361.11	8.28	-42.81
CC1=NC=C(C2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)O1	REAL300001233909	0	46	0.0	-54.50	361.09	6.48	-48.02
CC1=NC=C(C2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)O1	REAL300001233909	1	46	0.0	-56.61	367.45	6.46	-50.15
CC(C)NC(=O)NC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001234041	0	52	0.0	-60.11	398.01	6.54	-53.57
CC(C)NC(=O)NC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001234041	1	52	0.0	-57.86	403.71	6.52	-51.34
CC1=NC=C2CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2=N1	REAL300001234168	0	48	0.0	-54.36	368.16	7.19	-47.17
CC1=NC=C2CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2=N1	REAL300001234168	1	48	0.0	-51.38	361.40	6.72	-44.66
COC1=CC=C(C(C)N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001234281	0	50	0.0	-49.90	374.07	9.22	-40.68
COC1=CC=C(C(C)N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001234281	1	50	0.0	-49.48	376.29	9.76	-39.72
CC1=NC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2O1	REAL300001234375	0	42	0.0	-53.53	327.28	4.54	-48.99
CC1=NC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2O1	REAL300001234375	1	42	0.0	-55.65	328.38	4.97	-50.68
CC(=O)NC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001234492	0	47	0.0	-57.91	361.26	7.25	-50.66
CC(=O)NC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001234492	1	47	0.0	-58.29	355.81	7.28	-51.01
CC1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001234604	0	50	0.0	-48.91	373.53	11.49	-37.42
CC1=CC=C(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001234604	1	50	0.0	-47.95	379.80	11.52	-36.43
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC=C(Cl)C=C3)CC2)C1	REAL300001234707	0	51	0.0	-50.94	395.36	9.21	-41.73
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC=C(Cl)C=C3)CC2)C1	REAL300001234707	1	51	0.0	-55.67	402.55	9.69	-45.98
CC(C1=CC=C(S(C)(=O)=O)C=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001234806	0	52	0.0	-57.30	405.28	7.44	-49.86
CC(C1=CC=C(S(C)(=O)=O)C=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001234806	1	52	0.0	-57.03	407.51	7.98	-49.05
COC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300001234988	0	48	0.0	-48.90	368.43	6.03	-42.87
COC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300001234988	1	48	0.0	-49.11	374.62	6.05	-43.06
CCOC1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001235100	0	47	0.0	-47.19	360.80	7.67	-39.52
CCOC1=CC=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001235100	1	47	0.0	-44.17	358.88	7.22	-36.95
CCCC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001235166	0	46	0.0	-46.02	343.89	9.32	-36.70
CCCC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001235166	1	46	0.0	-48.51	344.72	9.77	-38.74
CC(=O)NC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1C	REAL300001235356	0	47	0.0	-52.25	363.99	7.05	-45.20
CC(=O)NC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1C	REAL300001235356	1	47	0.0	-53.26	357.86	7.05	-46.21
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(NC(=O)C3CCCO3)C=C2)C1	REAL300001235482	0	52	0.0	-61.41	403.39	7.50	-53.91
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(NC(=O)C3CCCO3)C=C2)C1	REAL300001235482	1	52	0.0	-60.34	403.63	7.47	-52.87
COCC(=O)NC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001235607	0	48	0.0	-63.06	374.05	6.35	-56.71
COCC(=O)NC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001235607	1	48	0.0	-58.10	379.75	6.30	-51.80
CCCN(CCC)C(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001235731	0	59	0.0	-59.06	439.95	10.60	-48.46
CCCN(CCC)C(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001235731	1	59	0.0	-58.54	444.63	10.49	-48.05
CC1=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=CC=C1C(N)=O	REAL300001235901	1	44	0.0	-53.65	337.25	5.01	-48.64
CC1=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=CC=C1C(N)=O	REAL300001235901	1	44	0.0	-51.46	331.95	5.02	-46.44
NC(=O)CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001235992	0	44	0.0	-56.05	343.71	4.81	-51.24
NC(=O)CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001235992	1	44	0.0	-56.15	350.06	4.77	-51.38
CC1=C(C(=O)NCCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)OC=C1	REAL300001236135	0	50	0.0	-55.49	396.26	5.32	-50.17
CC1=C(C(=O)NCCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)OC=C1	REAL300001236135	1	50	0.0	-56.12	396.90	5.34	-50.78
CC(C)CCC(C)(O)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001236230	0	52	0.0	-46.30	377.85	5.41	-40.89
CC(C)CCC(C)(O)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001236230	1	52	0.0	-44.84	376.70	4.97	-39.87
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C(=O)C3=CC=C(F)C=C3)C2)C1	REAL300001236339	0	52	0.0	-49.26	392.83	10.44	-38.82
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C(=O)C3=CC=C(F)C=C3)C2)C1	REAL300001236339	1	52	0.0	-53.55	399.75	10.91	-42.64
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCN(C3=CC=C(Cl)C=C3)C2=O)C1	REAL300001236461	0	48	0.0	-59.75	389.60	8.40	-51.35
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCN(C3=CC=C(Cl)C=C3)C2=O)C1	REAL300001236461	1	48	0.0	-58.80	387.91	8.38	-50.42
COC1=CC=C(N(CC2=CC=CO2)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300001236569	1	51	0.0	-53.07	398.68	10.16	-42.91
COC1=CC=C(N(CC2=CC=CO2)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300001236569	1	51	0.0	-54.42	404.81	10.17	-44.25
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(NCC3CCCO3)C(F)=C2)C1	REAL300001236676	0	53	0.0	-56.34	403.82	7.28	-49.06
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(NCC3CCCO3)C(F)=C2)C1	REAL300001236676	1	53	0.0	-53.89	409.04	7.28	-46.61
CCC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC=CS1	REAL300001236782	1	45	0.0	-46.69	347.00	6.52	-40.17
CCC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC=CS1	REAL300001236782	1	45	0.0	-45.57	341.10	6.46	-39.11
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C(OC2CCOC2)C=C1	REAL300001236893	0	49	0.0	-52.64	377.07	7.00	-45.64
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C(OC2CCOC2)C=C1	REAL300001236893	1	49	0.0	-53.78	370.83	7.01	-46.77
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1N1CCCS1(=O)=O	REAL300001237009	0	52	0.0	-59.82	407.50	7.00	-52.82
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1N1CCCS1(=O)=O	REAL300001237009	1	52	0.0	-62.66	402.30	7.03	-55.63
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C(CC2CC(=O)NC2=O)C=C1	REAL300001237120	0	50	0.0	-58.55	392.92	6.43	-52.12
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C(CC2CC(=O)NC2=O)C=C1	REAL300001237120	1	50	0.0	-57.97	392.76	6.44	-51.53
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC=C(C2=CC=CC=C2)O1	REAL300001237249	0	49	0.0	-48.95	385.82	6.83	-42.12
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC=C(C2=CC=CC=C2)O1	REAL300001237249	1	49	0.0	-47.71	385.87	6.83	-40.88
CC1=CC=C(NCCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300001237378	0	53	0.0	-54.21	419.55	8.70	-45.51
CC1=CC=C(NCCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300001237378	1	53	0.0	-54.95	420.20	8.72	-46.23
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC3=CC=CC=C3O2)C1	REAL300001237498	0	46	0.0	-50.35	357.97	8.24	-42.11
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC3=CC=CC=C3O2)C1	REAL300001237498	1	46	0.0	-54.45	359.88	8.68	-45.77
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC(Cl)=C3)CC2)C1	REAL300001237608	0	44	0.0	-45.96	350.32	8.92	-37.04
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC(Cl)=C3)CC2)C1	REAL300001237608	1	44	0.0	-49.75	353.23	9.57	-40.18
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2OCC2CC2)C1	REAL300001237711	1	48	0.0	-46.46	366.00	9.26	-37.20
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2OCC2CC2)C1	REAL300001237711	1	48	0.0	-45.60	365.18	8.82	-36.78
CC(C1=CC=CC=C1)N(CC1CCC1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001237818	0	56	0.0	-46.92	393.75	12.49	-34.43
CC(C1=CC=CC=C1)N(CC1CCC1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001237818	1	56	0.0	-46.29	410.21	12.75	-33.54
O=C([O-])C1CCC[N@H+](CC(=O)NC2=NC3=CC=CC=C3N2C2CCCC2)C1	REAL300001237927	0	53	0.0	-58.04	389.10	12.95	-45.09
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=NC3=CC=CC=C3N2C2CCCC2)C1	REAL300001237927	1	53	0.0	-50.95	388.30	12.50	-38.45
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC(F)=C3)CC2)C1	REAL300001238125	0	47	0.0	-46.40	358.38	8.85	-37.55
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC(F)=C3)CC2)C1	REAL300001238125	1	47	0.0	-46.77	362.59	9.27	-37.50
CC1=CC=C(CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1C	REAL300001238240	0	53	0.0	-44.16	388.07	11.71	-32.45
CC1=CC=C(CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1C	REAL300001238240	1	53	0.0	-47.64	388.52	11.95	-35.69
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001238362	0	46	0.0	-51.21	372.27	9.25	-41.96
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001238362	1	46	0.0	-52.26	373.43	9.28	-42.98
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C(F)=C1	REAL300001238483	0	43	0.0	-51.63	346.28	8.38	-43.25
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C(F)=C1	REAL300001238483	1	43	0.0	-54.50	347.40	8.40	-46.10
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C3=NC=CS3)C=C2)C1	REAL300001238603	0	43	0.0	-54.06	355.35	8.17	-45.89
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C3=NC=CS3)C=C2)C1	REAL300001238603	1	43	0.0	-54.73	349.00	8.21	-46.52
CCN(CC)C(=O)CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001238714	0	49	0.0	-47.99	366.81	8.20	-39.79
CCN(CC)C(=O)CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001238714	1	49	0.0	-47.51	365.65	7.75	-39.76
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NC3=CC=CC=C3S2)C1	REAL300001238822	1	42	0.0	-50.66	348.36	6.86	-43.80
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NC3=CC=CC=C3S2)C1	REAL300001238822	1	42	0.0	-50.02	342.18	6.84	-43.18
CC(C)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001238945	0	46	0.0	-48.81	350.15	9.20	-39.61
CC(C)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001238945	1	46	0.0	-49.25	344.96	9.22	-40.03
CCCCCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001239049	0	52	0.0	-49.37	391.93	11.11	-38.26
CCCCCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001239049	1	52	0.0	-49.59	398.28	11.08	-38.51
CCOC1=CC=C(OCC)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001239163	1	51	0.0	-49.12	391.96	7.86	-41.26
CCOC1=CC=C(OCC)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001239163	1	51	0.0	-50.17	385.67	7.87	-42.30
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC2=CC=CC=C21	REAL300001239280	0	49	0.0	-49.15	369.66	10.45	-38.70
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC2=CC=CC=C21	REAL300001239280	1	49	0.0	-49.11	369.71	10.45	-38.66
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2SC(F)F)C1	REAL300001239445	1	41	0.0	-48.68	332.37	8.72	-39.96
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2SC(F)F)C1	REAL300001239445	1	41	0.0	-48.00	330.65	8.25	-39.75
COC1=CC=CC=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001239550	0	47	0.0	-49.63	360.31	7.53	-42.10
COC1=CC=CC=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001239550	1	47	0.0	-46.68	358.41	7.08	-39.60
O=C([O-])C1CCC[N@H+](CC(=O)NCCCN2C=CC3=CC=CC=C32)C1	REAL300001239741	0	50	0.0	-52.75	392.51	10.18	-42.57
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCN2C=CC3=CC=CC=C32)C1	REAL300001239741	1	50	0.0	-52.20	391.87	10.16	-42.04
COC1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001239860	0	51	0.0	-51.14	381.61	10.13	-41.01
COC1=CC=C(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001239860	1	51	0.0	-49.74	387.88	10.15	-39.59
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC=C3OCCOC3=C2)C1	REAL300001239968	0	53	0.0	-51.96	402.81	9.99	-41.97
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC=C3OCCOC3=C2)C1	REAL300001239968	1	53	0.0	-53.52	396.64	9.98	-43.54
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CO2)CC2=CC=CO2)C1	REAL300001240072	1	47	0.0	-44.36	363.59	9.70	-34.66
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CO2)CC2=CC=CO2)C1	REAL300001240072	1	47	0.0	-49.04	369.52	9.75	-39.29
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC=CS2)C1	REAL300001240172	0	44	0.0	-47.48	350.19	9.72	-37.76
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC=CS2)C1	REAL300001240172	1	44	0.0	-47.37	343.41	9.69	-37.68
NC(=O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001240242	0	41	0.0	-54.64	324.78	4.05	-50.59
NC(=O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001240242	1	41	0.0	-62.74	319.31	4.09	-58.65
CN(CC1=CC2=CC=CC=C2C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001240365	0	49	0.0	-48.03	379.11	11.74	-36.29
CN(CC1=CC2=CC=CC=C2C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001240365	1	49	0.0	-49.36	380.27	11.76	-37.60
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCCN1CCCCCC1=O	REAL300001240489	0	53	0.0	-53.72	395.28	7.63	-46.09
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCCN1CCCCCC1=O	REAL300001240489	1	53	0.0	-53.77	394.67	7.61	-46.16
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3=CC=CC=C3C2)C1	REAL300001240664	0	47	0.0	-50.28	357.70	9.25	-41.03
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3=CC=CC=C3C2)C1	REAL300001240664	1	47	0.0	-49.47	356.51	9.23	-40.24
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C2OCC(=O)NC2=C1	REAL300001240778	0	43	0.0	-54.79	335.53	4.53	-50.26
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C2OCC(=O)NC2=C1	REAL300001240778	1	43	0.0	-56.17	340.74	4.51	-51.66
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=CC(Cl)=C2)C1	REAL300001240894	0	43	0.0	-47.68	346.82	8.24	-39.44
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=CC(Cl)=C2)C1	REAL300001240894	1	43	0.0	-51.11	348.72	8.68	-42.43
COC1=CC=C(N(CC2=CC=CS2)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001240999	1	51	0.0	-46.85	408.04	11.12	-35.73
COC1=CC=C(N(CC2=CC=CS2)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001240999	1	51	0.0	-43.99	402.57	11.14	-32.85
CCN(CC1=CC=C(Cl)S1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001241111	0	43	0.0	-47.11	361.38	10.12	-36.99
CCN(CC1=CC=C(Cl)S1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001241111	1	43	0.0	-49.25	355.89	10.15	-39.10
CNS(=O)(=O)C1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1C	REAL300001241241	1	48	0.0	-58.69	381.25	4.39	-54.30
CNS(=O)(=O)C1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1C	REAL300001241241	1	48	0.0	-61.43	375.92	4.42	-57.01
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3CCCC3=O)C=C2)C1	REAL300001241368	0	48	0.0	-58.93	368.41	8.40	-50.53
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3CCCC3=O)C=C2)C1	REAL300001241368	1	48	0.0	-53.33	361.95	8.48	-44.85
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=CC=C2F)C1	REAL300001241502	0	43	0.0	-47.08	335.65	7.76	-39.32
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=CC=C2F)C1	REAL300001241502	1	43	0.0	-49.43	337.46	8.21	-41.22
CN(CC1=CC=C(Cl)S1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001241608	0	40	0.0	-47.77	335.90	9.23	-38.54
CN(CC1=CC=C(Cl)S1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001241608	1	40	0.0	-47.87	342.07	9.22	-38.65
C=CCN(CC1=CC=C(Cl)S1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001241721	0	44	0.0	-44.92	369.41	10.74	-34.18
C=CCN(CC1=CC=C(Cl)S1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001241721	1	44	0.0	-44.99	369.05	10.28	-34.71
O=C([O-])C1CCC[N@H+](CC(=O)NCC(=O)NCC2=CC=CC=C2)C1	REAL300001242045	0	47	0.0	-50.19	375.66	5.91	-44.28
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(=O)NCC2=CC=CC=C2)C1	REAL300001242045	1	47	0.0	-47.43	369.46	5.89	-41.54
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001242169	0	56	0.0	-54.78	404.18	8.81	-45.97
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001242169	1	56	0.0	-51.22	398.40	8.41	-42.81
NC(=O)CCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001242299	0	48	0.0	-58.00	373.59	4.43	-53.57
NC(=O)CCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001242299	1	48	0.0	-56.20	379.93	4.39	-51.81
NC(=O)CCOC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001242417	1	48	0.0	-51.95	371.19	4.12	-47.83
NC(=O)CCOC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001242417	1	48	0.0	-54.10	372.84	4.56	-49.54
CN(CCCCC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001242534	0	52	0.0	-47.63	399.13	11.81	-35.82
CN(CCCCC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001242534	1	52	0.0	-48.25	399.01	11.82	-36.43
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC=CC(OC)=C1	REAL300001242648	0	53	0.0	-50.77	382.72	10.03	-40.74
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC=CC(OC)=C1	REAL300001242648	1	53	0.0	-45.34	381.71	9.53	-35.81
COC1=CC(OC)=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300001242799	0	52	0.0	-48.92	396.27	5.43	-43.49
COC1=CC(OC)=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300001242799	1	52	0.0	-49.00	402.47	5.45	-43.55
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300001242983	0	49	0.0	-50.03	387.04	9.85	-40.18
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300001242983	1	49	0.0	-47.00	380.32	9.42	-37.58
O=C([O-])C1CCC[N@H+](CC(=O)NC2COC3=CC=CC=C3C2)C1	REAL300001243072	0	45	0.0	-52.92	341.99	7.40	-45.52
O=C([O-])C1CCC[N@@H+](CC(=O)NC2COC3=CC=CC=C3C2)C1	REAL300001243072	1	45	0.0	-52.26	347.48	7.39	-44.87
CC1=CC=C(C(=O)N2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001243192	0	54	0.0	-55.69	407.02	9.82	-45.87
CC1=CC=C(C(=O)N2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001243192	1	54	0.0	-51.18	400.03	9.37	-41.81
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2)C2CCCCC2)C1	REAL300001243309	0	56	0.0	-49.64	409.23	11.84	-37.80
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2)C2CCCCC2)C1	REAL300001243309	1	56	0.0	-48.57	408.34	11.82	-36.75
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3N=CC=N3)C=C2)C1	REAL300001243424	0	43	0.0	-57.65	344.47	7.19	-50.46
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3N=CC=N3)C=C2)C1	REAL300001243424	1	43	0.0	-56.68	338.41	7.20	-49.48
CCCOCC1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001243546	0	53	0.0	-47.10	403.59	9.04	-38.06
CCCOCC1=CC=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001243546	1	53	0.0	-49.36	409.80	9.06	-40.30
CC1=NOC(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001243657	0	46	0.0	-49.09	350.48	8.63	-40.46
CC1=NOC(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001243657	1	46	0.0	-50.40	356.53	8.63	-41.77
CCCCNC(=O)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001243769	0	56	0.0	-52.64	431.45	8.06	-44.58
CCCCNC(=O)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001243769	1	56	0.0	-55.55	437.66	8.08	-47.47
CC(C)C(=O)NC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001243893	0	53	0.0	-51.38	394.34	7.33	-44.05
CC(C)C(=O)NC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001243893	1	53	0.0	-52.23	394.74	7.35	-44.88
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300001244019	0	54	0.0	-54.41	420.72	8.72	-45.69
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300001244019	1	54	0.0	-56.72	415.00	8.76	-47.96
CC1=CC=C(SCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001244143	0	47	0.0	-50.89	377.76	9.29	-41.60
CC1=CC=C(SCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001244143	1	47	0.0	-51.57	378.40	9.31	-42.26
CC1=CC(NC(=O)CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300001244335	0	46	0.0	-52.89	364.48	7.30	-45.59
CC1=CC(NC(=O)CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300001244335	1	46	0.0	-54.75	365.63	7.33	-47.42
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC=C1	REAL300001244447	0	47	0.0	-46.19	358.01	7.65	-38.54
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC=C1	REAL300001244447	1	47	0.0	-48.53	364.21	7.67	-40.86
CN(CC1=CC=CC=C1C1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001244568	0	53	0.0	-51.00	399.50	13.47	-37.53
CN(CC1=CC=CC=C1C1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001244568	1	53	0.0	-49.21	406.68	13.43	-35.78
CC(CC1=CC=CC=C1Cl)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001244694	0	46	0.0	-49.20	368.13	9.21	-39.99
CC(CC1=CC=CC=C1Cl)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001244694	1	46	0.0	-50.40	365.55	9.55	-40.85
CN(CC1=CSC2=CC=CC=C12)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001244820	0	46	0.0	-47.37	359.87	10.68	-36.69
CN(CC1=CSC2=CC=CC=C12)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001244820	1	46	0.0	-50.67	369.08	11.51	-39.16
CCNC(=O)C1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001244949	0	50	0.0	-51.67	388.46	6.52	-45.15
CCNC(=O)C1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001244949	1	50	0.0	-53.92	394.67	6.54	-47.38
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=C(F)C=C2)C2CCCCC2)C1	REAL300001245066	0	56	0.0	-48.50	404.17	12.58	-35.92
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=C(F)C=C2)C2CCCCC2)C1	REAL300001245066	1	56	0.0	-50.90	412.72	12.80	-38.10
CC(C)(C)NS(=O)(=O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001245174	1	54	0.0	-55.83	413.43	5.32	-50.51
CC(C)(C)NS(=O)(=O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001245174	1	54	0.0	-60.87	407.83	5.28	-55.59
CCC(C)N(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001245272	0	52	0.0	-47.20	373.75	11.51	-35.69
CCC(C)N(CC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001245272	1	52	0.0	-45.23	382.56	11.68	-33.55
CN(CC1=CC=C(Br)S1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001245412	0	40	0.0	-47.74	340.53	9.33	-38.41
CN(CC1=CC=C(Br)S1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001245412	1	40	0.0	-47.86	346.70	9.33	-38.53
CCCCCN(CC1=CC=C(F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001245528	0	55	0.0	-46.26	417.76	12.35	-33.91
CCCCCN(CC1=CC=C(F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001245528	1	55	0.0	-46.98	418.57	12.81	-34.17
CCCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001245616	0	49	0.0	-47.39	368.89	9.61	-37.78
CCCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001245616	1	49	0.0	-46.23	363.42	9.65	-36.58
COC1=CC=C(OCCN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001245777	0	51	0.0	-48.45	393.28	8.41	-40.04
COC1=CC=C(OCCN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001245777	1	51	0.0	-49.44	393.17	8.42	-41.02
CC(C1=CC=CC=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001245853	0	46	0.0	-44.51	342.19	9.62	-34.89
CC(C1=CC=CC=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001245853	1	46	0.0	-48.60	339.07	9.94	-38.66
CC(C)CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001245942	0	52	0.0	-47.69	382.06	10.08	-37.61
CC(C)CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001245942	1	52	0.0	-47.00	376.52	10.13	-36.87
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC)C=C1	REAL300001246045	0	50	0.0	-49.66	376.88	8.18	-41.48
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC)C=C1	REAL300001246045	1	50	0.0	-49.78	371.32	8.21	-41.57
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=C(Cl)C=C2)C2CC2)C1	REAL300001246149	0	47	0.0	-48.38	369.77	10.23	-38.15
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=C(Cl)C=C2)C2CC2)C1	REAL300001246149	1	47	0.0	-47.35	366.02	10.30	-37.05
CC(C1=CC=C(S(N)(=O)=O)C=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001246254	0	51	0.0	-56.75	397.01	4.63	-52.12
CC(C1=CC=C(S(N)(=O)=O)C=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001246254	1	51	0.0	-57.37	398.00	4.64	-52.73
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1S(N)(=O)=O	REAL300001246404	1	45	0.0	-58.82	359.65	3.01	-55.81
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1S(N)(=O)=O	REAL300001246404	1	45	0.0	-63.46	354.36	3.03	-60.43
CC(CCC1=CC=CO1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001246500	0	46	0.0	-50.57	359.56	8.08	-42.49
CC(CCC1=CC=CO1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001246500	1	46	0.0	-48.58	354.06	8.10	-40.48
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(OC(F)F)C=C2)C1	REAL300001246692	0	44	0.0	-48.57	347.84	6.54	-42.03
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(OC(F)F)C=C2)C1	REAL300001246692	1	44	0.0	-50.22	349.75	6.98	-43.24
CC1=CC=CC(OCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001246805	0	47	0.0	-48.70	368.12	7.70	-41.00
CC1=CC=CC(OCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001246805	1	47	0.0	-48.95	368.01	7.71	-41.24
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2C2=CC=CC=C2)C1	REAL300001247156	0	47	0.0	-46.97	360.48	11.30	-35.67
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2C2=CC=CC=C2)C1	REAL300001247156	1	47	0.0	-48.26	367.06	11.33	-36.93
COC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001247271	0	51	0.0	-54.98	390.74	7.37	-47.61
COC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001247271	1	51	0.0	-51.62	388.84	6.92	-44.70
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(Cl)C(C(F)(F)F)=C2)C1	REAL300001247402	1	40	0.0	-52.19	336.66	8.73	-43.46
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(Cl)C(C(F)(F)F)=C2)C1	REAL300001247402	1	40	0.0	-53.67	342.10	8.70	-44.97
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300001247512	1	45	0.0	-47.59	341.15	5.59	-42.00
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300001247512	1	45	0.0	-47.79	342.80	6.03	-41.76
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001247612	0	50	0.0	-46.49	384.25	11.00	-35.49
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001247612	1	50	0.0	-50.05	385.52	11.49	-38.56
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001247746	0	41	0.0	-52.20	335.50	7.15	-45.05
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001247746	1	41	0.0	-55.42	330.28	7.16	-48.26
CCOC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001247817	1	44	0.0	-45.69	333.51	7.23	-38.46
CCOC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001247817	1	44	0.0	-46.49	335.16	7.67	-38.82
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2CC2=CC=CC=C2)C1	REAL300001247952	0	50	0.0	-51.56	379.62	12.17	-39.39
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2CC2=CC=CC=C2)C1	REAL300001247952	1	50	0.0	-48.62	378.81	11.73	-36.89
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(F)C=C2)C1	REAL300001248036	0	43	0.0	-48.79	336.50	7.80	-40.99
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(F)C=C2)C1	REAL300001248036	1	43	0.0	-51.85	338.41	8.24	-43.61
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C2NC(=O)NC2=C1	REAL300001248236	0	41	0.0	-58.78	320.56	4.13	-54.65
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C2NC(=O)NC2=C1	REAL300001248236	1	41	0.0	-55.76	319.47	3.71	-52.05
O=C([O-])C1CCC[N@H+](CC(=O)NCCC(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001248353	0	56	0.0	-50.49	428.20	12.05	-38.44
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001248353	1	56	0.0	-49.85	427.56	12.03	-37.82
O=C([O-])C1CCC[N@H+](CC(=O)N(CCC2=CC=CC=C2)CC2=CC=CC=C2)C1	REAL300001248463	0	56	0.0	-49.75	424.82	13.99	-35.76
O=C([O-])C1CCC[N@@H+](CC(=O)N(CCC2=CC=CC=C2)CC2=CC=CC=C2)C1	REAL300001248463	1	56	0.0	-49.73	431.03	14.02	-35.71
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2OC2=CC=CC=C2)C1	REAL300001248564	1	48	0.0	-46.65	372.44	10.26	-36.39
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2OC2=CC=CC=C2)C1	REAL300001248564	1	48	0.0	-46.82	370.61	9.82	-37.00
COC1=CC(Cl)=C(C)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001248671	1	44	0.0	-48.84	354.21	7.81	-41.03
COC1=CC(Cl)=C(C)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001248671	1	44	0.0	-47.63	347.93	7.85	-39.78
CCCCOCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001248737	0	49	0.0	-48.03	376.17	6.76	-41.27
CCCCOCCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001248737	1	49	0.0	-48.64	376.81	6.79	-41.85
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(NC3=CC=CC=C3)C=C2)C1	REAL300001248836	0	49	0.0	-51.83	381.47	9.62	-42.21
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(NC3=CC=CC=C3)C=C2)C1	REAL300001248836	1	49	0.0	-51.18	382.23	9.61	-41.57
CC1=CC=C(Cl)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001248978	0	40	0.0	-51.04	324.48	8.64	-42.40
CC1=CC=C(Cl)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001248978	1	40	0.0	-52.45	318.99	8.69	-43.76
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC(F)F)C=C2)C1	REAL300001249214	0	41	0.0	-53.46	330.16	6.87	-46.59
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC(F)F)C=C2)C1	REAL300001249214	1	41	0.0	-54.53	323.81	6.90	-47.63
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2OC(F)F)C1	REAL300001249317	1	41	0.0	-49.82	323.07	7.02	-42.80
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2OC(F)F)C1	REAL300001249317	1	41	0.0	-49.02	321.42	6.58	-42.44
CCCCCN(CCCCC)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001249411	0	57	0.0	-45.15	423.93	12.04	-33.11
CCCCCN(CCCCC)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001249411	1	57	0.0	-42.36	415.68	11.56	-30.80
O=C([O-])C1CCC[N@H+](CC(=O)NC2=NNC3=CC=CC=C32)C1	REAL300001249530	1	40	0.0	-55.66	313.59	7.23	-48.43
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=NNC3=CC=CC=C32)C1	REAL300001249530	1	40	0.0	-53.97	319.08	7.20	-46.77
CC(C)CCOC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001249832	0	53	0.0	-51.19	401.87	9.63	-41.56
CC(C)CCOC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001249832	1	53	0.0	-48.98	396.39	9.66	-39.32
CC1=CC(OC2=NC=CC=N2)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001249962	0	49	0.0	-55.34	383.68	6.12	-49.22
CC1=CC(OC2=NC=CC=N2)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001249962	1	49	0.0	-58.36	384.49	6.57	-51.79
COCCOC1=C(Cl)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001250078	1	48	0.0	-52.57	394.23	7.60	-44.97
COCCOC1=C(Cl)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001250078	1	48	0.0	-50.33	388.75	7.62	-42.71
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(F)=CC=C2OC2=CC=CC=C2)C1	REAL300001250286	1	48	0.0	-49.23	378.84	10.33	-38.90
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(F)=CC=C2OC2=CC=CC=C2)C1	REAL300001250286	1	48	0.0	-49.88	383.32	10.29	-39.59
CC(C)C1=NC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2S1	REAL300001250403	0	48	0.0	-51.49	379.24	8.36	-43.13
CC(C)C1=NC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2S1	REAL300001250403	1	48	0.0	-55.44	380.60	8.86	-46.58
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(COC3CCCCC3)=C2)C1	REAL300001250602	0	57	0.0	-49.92	423.58	10.68	-39.24
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(COC3CCCCC3)=C2)C1	REAL300001250602	1	57	0.0	-49.76	428.77	10.68	-39.08
CC(C)CN1C=CC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300001250731	0	53	0.0	-48.63	392.93	10.56	-38.07
CC(C)CN1C=CC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300001250731	1	53	0.0	-53.31	394.01	10.99	-42.32
CC(C)OCC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001250860	0	50	0.0	-50.07	387.14	8.75	-41.32
CC(C)OCC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001250860	1	50	0.0	-51.43	381.95	8.76	-42.67
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(COCC3CC3)=C2)C1	REAL300001250986	0	51	0.0	-52.19	393.37	9.59	-42.60
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(COCC3CC3)=C2)C1	REAL300001250986	1	51	0.0	-51.01	398.83	9.55	-41.46
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC4=CC=CC=C4N3)CC2)C1	REAL300001251116	0	54	0.0	-48.31	397.45	10.47	-37.84
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC4=CC=CC=C4N3)CC2)C1	REAL300001251116	1	54	0.0	-51.22	405.31	11.08	-40.14
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(NC(=O)C3=CC=CO3)C=C2)C1	REAL300001251240	0	51	0.0	-51.47	404.87	6.99	-44.48
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(NC(=O)C3=CC=CO3)C=C2)C1	REAL300001251240	1	51	0.0	-54.33	406.77	7.42	-46.91
CCOC1=CC=C(NC(=O)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001251458	0	51	0.0	-49.70	394.75	6.01	-43.69
CCOC1=CC=C(NC(=O)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001251458	1	51	0.0	-51.46	392.80	5.57	-45.89
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1=NC(C2CC2)=NO1	REAL300001251689	1	42	0.0	-52.27	339.66	4.55	-47.72
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1=NC(C2CC2)=NO1	REAL300001251689	1	42	0.0	-49.77	333.47	4.53	-45.24
CCCS(=O)(=O)NC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001251796	0	51	0.0	-61.73	404.86	5.66	-56.07
CCCS(=O)(=O)NC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001251796	1	51	0.0	-60.78	411.08	5.60	-55.18
COC1=CC=C(CNC(=O)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001251989	0	51	0.0	-48.77	398.97	5.19	-43.58
COC1=CC=C(CNC(=O)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001251989	1	51	0.0	-51.70	405.17	5.21	-46.49
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(N3CCNC3=O)=C2)C1	REAL300001252202	0	47	0.0	-62.00	357.41	6.04	-55.96
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(N3CCNC3=O)=C2)C1	REAL300001252202	1	47	0.0	-59.27	362.50	6.03	-53.24
O=C([O-])C1CCC[N@H+](CC(=O)NCCSC(F)(F)F)C1	REAL300001252297	0	37	0.0	-51.42	321.26	6.21	-45.21
O=C([O-])C1CCC[N@@H+](CC(=O)NCCSC(F)(F)F)C1	REAL300001252297	1	37	0.0	-50.75	320.62	6.19	-44.56
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3CCCC3)C=C2)C1	REAL300001252408	0	51	0.0	-51.68	385.90	9.55	-42.13
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3CCCC3)C=C2)C1	REAL300001252408	1	51	0.0	-51.63	379.59	9.59	-42.04
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(OC3CCCC3)=C2)C1	REAL300001252538	0	51	0.0	-49.33	378.83	9.50	-39.83
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(OC3CCCC3)=C2)C1	REAL300001252538	1	51	0.0	-51.21	384.15	9.50	-41.71
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3NC(C4=CC=C(F)C=C4)=NC3=C2)C1	REAL300001252722	0	50	0.0	-52.57	396.55	9.95	-42.62
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3NC(C4=CC=C(F)C=C4)=NC3=C2)C1	REAL300001252722	1	50	0.0	-52.62	395.46	9.52	-43.10
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3N=C(C4=CC=C(F)C=C4)NC3=C2)C1	REAL300001252722	1	50	0.0	-57.49	396.46	9.95	-47.54
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3N=C(C4=CC=C(F)C=C4)NC3=C2)C1	REAL300001252722	1	50	0.0	-54.19	395.67	9.50	-44.69
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC3=C2C=CO3)C1	REAL300001252793	0	44	0.0	-48.71	328.99	7.32	-41.39
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC3=C2C=CO3)C1	REAL300001252793	1	44	0.0	-49.48	334.46	7.29	-42.19
CCCN(CC1=C(F)C=CC=C1Cl)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001252900	0	49	0.0	-45.45	379.27	11.15	-34.30
CCCN(CC1=C(F)C=CC=C1Cl)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001252900	1	49	0.0	-44.25	378.70	11.51	-32.74
CCC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001252991	0	43	0.0	-46.03	344.10	8.07	-37.96
CCC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001252991	1	43	0.0	-47.79	350.84	8.11	-39.68
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC2=CC=C(Cl)C=C2)C1	REAL300001253197	0	46	0.0	-50.16	376.43	9.49	-40.67
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC2=CC=C(Cl)C=C2)C1	REAL300001253197	1	46	0.0	-49.53	375.79	9.47	-40.06
CN(CC1=CC(Br)=CC=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001253319	0	43	0.0	-45.27	350.41	10.01	-35.26
CN(CC1=CC(Br)=CC=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001253319	1	43	0.0	-46.51	355.73	9.96	-36.55
COC1=C(Cl)C=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001253590	1	41	0.0	-53.63	356.23	7.82	-45.81
COC1=C(Cl)C=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001253590	1	41	0.0	-50.33	348.76	7.37	-42.96
CC(=O)N1CCCC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300001253756	0	51	0.0	-57.47	383.14	8.92	-48.55
CC(=O)N1CCCC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300001253756	1	51	0.0	-60.65	376.47	8.81	-51.84
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3(CCCC3)C3=C(F)C=CC=C32)C1	REAL300001253889	0	51	0.0	-46.75	369.05	11.47	-35.28
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3(CCCC3)C3=C(F)C=CC=C32)C1	REAL300001253889	1	51	0.0	-47.43	375.24	11.32	-36.11
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=C(F)C=CC=C3F)CCCC2)C1	REAL300001254016	0	53	0.0	-46.65	395.14	10.66	-35.99
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=C(F)C=CC=C3F)CCCC2)C1	REAL300001254016	1	53	0.0	-45.75	394.43	10.68	-35.07
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OC3CCCC3)CC2)C1	REAL300001254138	0	54	0.0	-44.38	383.08	8.99	-35.39
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OC3CCCC3)CC2)C1	REAL300001254138	1	54	0.0	-47.93	391.04	9.42	-38.51
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300001254375	0	52	0.0	-46.49	369.13	9.19	-37.30
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300001254375	1	52	0.0	-46.38	363.77	9.22	-37.16
CN1C=C(C(=O)NCC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=N1	REAL300001254472	0	57	0.0	-56.82	434.98	7.44	-49.38
CN1C=C(C(=O)NCC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=N1	REAL300001254472	1	57	0.0	-53.72	427.50	6.97	-46.75
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2CC2=CC=CC=C2)C1	REAL300001254578	0	53	0.0	-48.00	387.63	11.70	-36.30
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2CC2=CC=CC=C2)C1	REAL300001254578	1	53	0.0	-47.26	386.60	11.66	-35.60
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300001254699	1	41	0.0	-54.83	340.03	7.44	-47.39
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300001254699	1	41	0.0	-53.82	345.25	7.43	-46.39
CCOC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OCC	REAL300001254862	0	57	0.0	-54.76	434.45	9.21	-45.55
CCOC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OCC	REAL300001254862	1	57	0.0	-51.39	432.55	8.76	-42.63
CCCOC1=CC=C(C(F)(F)F)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001254987	1	50	0.0	-49.60	401.17	9.46	-40.14
CCCOC1=CC=C(C(F)(F)F)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001254987	1	50	0.0	-49.58	394.56	9.47	-40.11
CCCN1C2=CC=CC=C2N=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001255169	0	49	0.0	-57.08	382.26	12.12	-44.96
CCCN1C2=CC=CC=C2N=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001255169	1	49	0.0	-57.93	383.44	12.15	-45.78
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3CCCC3=C2)C1	REAL300001255320	0	44	0.0	-49.69	330.02	9.24	-40.45
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3CCCC3=C2)C1	REAL300001255320	1	44	0.0	-47.06	329.47	8.77	-38.29
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=C(F)C=CC=C2F)C1	REAL300001255414	0	43	0.0	-49.46	348.82	8.24	-41.22
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=C(F)C=CC=C2F)C1	REAL300001255414	1	43	0.0	-48.78	348.19	8.22	-40.56
CC1=CC=C(OCCCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001255533	0	53	0.0	-50.88	410.43	9.21	-41.67
CC1=CC=C(OCCCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001255533	1	53	0.0	-51.49	411.08	9.23	-42.26
COCCOCC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001255779	0	51	0.0	-51.60	400.50	7.25	-44.35
COCCOCC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001255779	1	51	0.0	-53.18	395.30	7.27	-45.91
COCCOC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001255975	0	58	0.0	-55.20	447.77	7.67	-47.53
COCCOC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001255975	1	58	0.0	-55.86	448.91	7.71	-48.15
CCN(CC1=CC=CC(Cl)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001256085	0	46	0.0	-47.52	369.87	10.91	-36.61
CCN(CC1=CC=CC(Cl)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001256085	1	46	0.0	-44.33	362.43	10.44	-33.89
CCN(CC1=CC=CC=C1Cl)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001256209	0	46	0.0	-44.45	360.27	10.55	-33.90
CCN(CC1=CC=CC=C1Cl)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001256209	1	46	0.0	-48.04	352.44	10.91	-37.13
CCOCCOCC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001256333	0	57	0.0	-49.77	442.89	8.32	-41.45
CCOCCOCC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001256333	1	57	0.0	-51.39	449.10	8.34	-43.05
CC1CCCCC1OCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001256447	0	53	0.0	-47.17	385.67	7.93	-39.24
CC1CCCCC1OCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001256447	1	53	0.0	-46.81	391.87	7.95	-38.86
CC(C)N(CC1=CC=CC(Cl)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001256594	0	49	0.0	-44.17	371.94	10.72	-33.45
CC(C)N(CC1=CC=CC(Cl)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001256594	1	49	0.0	-46.04	373.11	11.17	-34.87
CC(C)OCC1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001256712	0	53	0.0	-47.04	402.37	8.98	-38.06
CC(C)OCC1=CC=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001256712	1	53	0.0	-49.35	408.59	8.99	-40.36
COCCOC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001256841	0	51	0.0	-50.48	395.48	6.90	-43.58
COCCOC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001256841	1	51	0.0	-51.57	401.69	6.92	-44.65
COCCOC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC	REAL300001256972	0	52	0.0	-56.22	404.19	6.71	-49.51
COCCOC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC	REAL300001256972	1	52	0.0	-55.89	398.97	6.73	-49.16
COCCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001257098	0	48	0.0	-53.33	375.72	6.80	-46.53
COCCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001257098	1	48	0.0	-54.07	375.88	6.78	-47.29
CCC(CC)C(=O)N1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001257225	0	59	0.0	-53.87	419.64	8.25	-45.62
CCC(CC)C(=O)N1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001257225	1	59	0.0	-54.69	432.63	8.54	-46.15
CCCC(=O)NC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001257355	0	53	0.0	-50.63	408.66	7.87	-42.76
CCCC(=O)NC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001257355	1	53	0.0	-54.09	414.87	7.89	-46.20
CCCC(=O)NC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001257486	0	53	0.0	-48.65	408.68	7.87	-40.78
CCCC(=O)NC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001257486	1	53	0.0	-55.34	414.60	7.90	-47.44
CCN1C=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=CC1=O	REAL300001257581	0	43	0.0	-58.28	333.82	6.60	-51.68
CCN1C=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=CC1=O	REAL300001257581	1	43	0.0	-62.11	334.61	7.04	-55.07
CNC(=O)COC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001257774	0	48	0.0	-60.58	379.96	6.15	-54.43
CNC(=O)COC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001257774	1	48	0.0	-65.20	374.76	6.16	-59.04
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1OCC(=O)NC	REAL300001257885	0	57	0.0	-54.30	428.87	7.35	-46.95
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1OCC(=O)NC	REAL300001257885	1	57	0.0	-60.97	438.83	8.52	-52.45
CC(C)N(CC1=CC=CS1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001258046	0	46	0.0	-43.29	348.10	9.38	-33.91
CC(C)N(CC1=CC=CS1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001258046	1	46	0.0	-40.50	348.81	9.94	-30.56
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC2CCCCC2)C1	REAL300001258285	0	52	0.0	-44.40	372.37	8.68	-35.72
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC2CCCCC2)C1	REAL300001258285	1	52	0.0	-47.23	374.27	9.12	-38.11
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(N3CCCC3=O)=C2)C1	REAL300001258398	0	51	0.0	-56.65	394.52	8.53	-48.12
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(N3CCCC3=O)=C2)C1	REAL300001258398	1	51	0.0	-51.64	387.84	8.51	-43.13
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C(=O)C3=CC=C(Cl)C=C3)CC2)C1	REAL300001258519	0	52	0.0	-51.13	403.56	10.93	-40.20
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C(=O)C3=CC=C(Cl)C=C3)CC2)C1	REAL300001258519	1	52	0.0	-55.05	411.06	11.39	-43.66
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1N1CCCCC1=O	REAL300001258628	0	55	0.0	-56.72	421.34	8.62	-48.10
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1N1CCCCC1=O	REAL300001258628	1	55	0.0	-60.53	416.15	8.62	-51.91
CCC(CC)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001258735	0	55	0.0	-47.22	392.95	11.27	-35.95
CCC(CC)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001258735	1	55	0.0	-46.52	388.12	11.28	-35.24
CC(C)(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001258841	0	52	0.0	-47.62	377.14	9.89	-37.73
CC(C)(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001258841	1	52	0.0	-46.25	371.63	9.93	-36.32
CC(C)(C)CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001258946	0	55	0.0	-46.98	400.48	10.15	-36.83
CC(C)(C)CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001258946	1	55	0.0	-45.94	395.14	10.14	-35.80
CC(C)(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300001259053	0	52	0.0	-50.00	383.53	9.97	-40.03
CC(C)(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300001259053	1	52	0.0	-49.32	378.12	9.99	-39.33
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C3=CSN=N3)C=C2)C1	REAL300001259172	0	42	0.0	-58.05	347.89	7.34	-50.71
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C3=CSN=N3)C=C2)C1	REAL300001259172	1	42	0.0	-52.91	341.54	7.38	-45.53
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C3=CN=CO3)=C2)C1	REAL300001259297	0	43	0.0	-56.46	339.07	5.74	-50.72
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C3=CN=CO3)=C2)C1	REAL300001259297	1	43	0.0	-55.16	344.54	5.72	-49.44
CC1=CC=C(CC2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001259409	0	53	0.0	-48.15	390.48	11.72	-36.43
CC1=CC=C(CC2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001259409	1	53	0.0	-45.42	385.47	11.52	-33.90
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C(N)=O	REAL300001259507	0	44	0.0	-57.45	340.60	4.74	-52.71
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C(N)=O	REAL300001259507	1	44	0.0	-56.17	335.48	4.76	-51.41
CC(CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001259605	0	49	0.0	-47.30	366.79	10.63	-36.67
CC(CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001259605	1	49	0.0	-47.95	367.94	10.65	-37.30
O=C([O-])C1CCC[N@H+](CC(=O)N(CCC2=CC=CC=C2)C2CCCC2)C1	REAL300001259716	0	56	0.0	-47.43	414.46	12.87	-34.56
O=C([O-])C1CCC[N@@H+](CC(=O)N(CCC2=CC=CC=C2)C2CCCC2)C1	REAL300001259716	1	56	0.0	-43.90	405.31	12.36	-31.54
CCCCC1CCCC1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001259792	0	52	0.0	-46.69	383.38	9.37	-37.32
CCCCC1CCCC1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001259792	1	52	0.0	-46.94	378.42	9.46	-37.48
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCCC1=NC2=C(CCCC2)S1	REAL300001260027	0	52	0.0	-50.72	408.23	8.69	-42.03
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCCC1=NC2=C(CCCC2)S1	REAL300001260027	1	52	0.0	-50.19	402.02	8.67	-41.52
CN(CC(=O)NC1=CC(F)=CC(F)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001260155	0	47	0.0	-52.43	380.97	8.25	-44.18
CN(CC(=O)NC1=CC(F)=CC(F)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001260155	1	47	0.0	-50.95	374.51	7.77	-43.18
CCCC(CC1=CC=CC=C1)N(CCC)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001260271	0	61	0.0	-45.85	445.03	14.20	-31.65
CCCC(CC1=CC=CC=C1)N(CCC)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001260271	1	61	0.0	-41.98	437.53	13.73	-28.25
CC1=CC=CC=C1OCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001260384	0	50	0.0	-50.10	387.60	8.51	-41.59
CC1=CC=CC=C1OCCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001260384	1	50	0.0	-50.79	388.25	8.53	-42.26
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1C	REAL300001260466	0	52	0.0	-44.60	369.99	10.88	-33.72
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1C	REAL300001260466	1	52	0.0	-46.19	349.84	9.83	-36.36
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(O)CC2=CC=CC=C2)C1	REAL300001260558	0	47	0.0	-49.38	369.21	5.66	-43.72
O=C([O-])C1CCC[N@H+](CC(=O)NCC(O)CC2=CC=CC=C2)C1	REAL300001260558	1	47	0.0	-47.32	362.22	5.28	-42.04
CC1=NOC(CCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001260642	0	44	0.0	-52.03	345.06	4.55	-47.48
CC1=NOC(CCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001260642	1	44	0.0	-50.86	343.16	4.10	-46.76
CCCC(CC1=CC=CC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001260750	0	52	0.0	-48.10	391.00	10.54	-37.56
CCCC(CC1=CC=CC=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001260750	1	52	0.0	-47.57	385.71	10.57	-37.00
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=C(Cl)C=C3)CC2)C1	REAL300001260875	0	47	0.0	-49.37	385.22	10.00	-39.37
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=C(Cl)C=C3)CC2)C1	REAL300001260875	1	47	0.0	-46.83	374.87	9.78	-37.05
CC(C)(CC1=CC=C(Br)C=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001260982	0	49	0.0	-50.08	383.86	9.72	-40.36
CC(C)(CC1=CC=C(Br)C=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001260982	1	49	0.0	-50.81	384.49	9.74	-41.07
CCN1N=C(C)C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001261074	0	49	0.0	-49.26	373.14	7.00	-42.26
CCN1N=C(C)C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001261074	1	49	0.0	-48.86	372.27	6.59	-42.27
COC1=CC=CC=C1C(C)(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001261177	0	50	0.0	-45.81	369.81	8.21	-37.60
COC1=CC=CC=C1C(C)(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001261177	1	50	0.0	-43.65	362.35	7.76	-35.89
CC1=CC(C)=C2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300001261278	0	50	0.0	-49.48	366.09	11.14	-38.34
CC1=CC(C)=C2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300001261278	1	50	0.0	-50.29	366.52	11.18	-39.11
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300001261392	0	49	0.0	-48.51	373.87	9.45	-39.06
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300001261392	1	49	0.0	-45.59	365.64	9.06	-36.53
CS(=O)(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001261522	1	43	0.0	-59.35	360.41	5.23	-54.12
CS(=O)(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001261522	1	43	0.0	-58.42	354.97	5.26	-53.16
CC(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC(C2CC2)=NO1	REAL300001261636	1	51	0.0	-49.55	382.03	6.25	-43.30
CC(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC(C2CC2)=NO1	REAL300001261636	1	51	0.0	-47.72	386.15	6.43	-41.29
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC=C3OCOC3=C2)C1	REAL300001261746	0	50	0.0	-52.78	384.39	9.52	-43.26
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC=C3OCOC3=C2)C1	REAL300001261746	1	50	0.0	-54.53	378.16	9.50	-45.03
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCCC2CC2=CC=CC=C2)C1	REAL300001261856	0	56	0.0	-48.45	405.38	11.95	-36.50
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCCC2CC2=CC=CC=C2)C1	REAL300001261856	1	56	0.0	-46.47	408.68	11.15	-35.32
CCCC1CCCCC1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001261932	0	52	0.0	-44.07	366.91	9.32	-34.75
CCCC1CCCCC1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001261932	1	52	0.0	-46.85	371.84	9.41	-37.44
CCS(=O)(=O)CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001261998	1	42	0.0	-61.09	341.25	2.81	-58.28
CCS(=O)(=O)CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001261998	1	42	0.0	-61.83	341.90	2.83	-59.00
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(COCCC3=CC=CC=C3)=C2)C1	REAL300001262091	0	57	0.0	-51.15	443.08	11.83	-39.32
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(COCCC3=CC=CC=C3)=C2)C1	REAL300001262091	1	57	0.0	-51.41	448.26	11.83	-39.58
CC1CCCC(OCC2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)C1	REAL300001262198	0	60	0.0	-49.75	449.61	11.29	-38.46
CC1CCCC(OCC2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)C1	REAL300001262198	1	60	0.0	-50.03	442.34	11.45	-38.58
O=C([O-])C1CCC[N@H+](CC(=O)NCCCOC2=CC=C(Cl)C=C2Cl)C1	REAL300001262313	0	47	0.0	-51.50	400.93	8.85	-42.65
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCOC2=CC=C(Cl)C=C2Cl)C1	REAL300001262313	1	47	0.0	-50.81	400.29	8.83	-41.98
NC(=O)C(CC1=CC=CC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001262418	0	47	0.0	-50.12	365.23	5.39	-44.73
NC(=O)C(CC1=CC=CC=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001262418	1	47	0.0	-52.57	371.99	5.44	-47.13
CN(C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1)S(C)(=O)=O	REAL300001262653	0	51	0.0	-58.96	381.88	5.23	-53.73
CN(C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1)S(C)(=O)=O	REAL300001262653	1	51	0.0	-52.74	380.64	4.76	-47.98
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)CC3=CC=CC=C3F)CC2)C1	REAL300001262854	0	54	0.0	-53.88	408.15	9.73	-44.15
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)CC3=CC=CC=C3F)CC2)C1	REAL300001262854	1	54	0.0	-59.53	415.69	10.20	-49.33
CC1=CC=C(CN(CC2=CC=CO2)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001263042	0	50	0.0	-47.21	403.01	11.29	-35.92
CC1=CC=C(CN(CC2=CC=CO2)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001263042	1	50	0.0	-47.07	407.58	11.52	-35.55
CC(=O)N(C)C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001263145	0	50	0.0	-53.91	368.27	7.67	-46.24
CC(=O)N(C)C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001263145	1	50	0.0	-50.33	360.81	7.21	-43.12
O=C([O-])C1CCC[N@H+](CC(=O)NCCOCC2=CC=CC=C2Cl)C1	REAL300001263263	0	47	0.0	-48.76	385.32	8.16	-40.60
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOCC2=CC=CC=C2Cl)C1	REAL300001263263	1	47	0.0	-47.94	379.11	8.14	-39.80
CC(C)COCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CO1	REAL300001263446	0	53	0.0	-46.63	406.91	7.55	-39.08
CC(C)COCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CO1	REAL300001263446	1	53	0.0	-49.89	407.80	8.01	-41.88
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NC(CC3=CC=CC=C3)=NO2)C1	REAL300001263568	1	48	0.0	-52.42	389.67	6.65	-45.77
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NC(CC3=CC=CC=C3)=NO2)C1	REAL300001263568	1	48	0.0	-50.46	383.47	6.63	-43.83
CCN1C2=CC=CC=C2N=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001263732	0	52	0.0	-58.76	401.07	9.39	-49.37
CCN1C2=CC=CC=C2N=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001263732	1	52	0.0	-57.40	402.04	9.25	-48.15
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(N3C=NC=N3)C=C2)C1	REAL300001263878	0	46	0.0	-55.84	369.99	9.95	-45.89
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(N3C=NC=N3)C=C2)C1	REAL300001263878	1	46	0.0	-53.12	363.79	9.93	-43.19
O=C([O-])C1CCC[N@H+](CC(=O)NCCS(=O)(=O)C2=CC=CC=C2)C1	REAL300001264075	1	46	0.0	-60.14	377.47	5.19	-54.95
O=C([O-])C1CCC[N@@H+](CC(=O)NCCS(=O)(=O)C2=CC=CC=C2)C1	REAL300001264075	1	46	0.0	-59.37	376.82	5.17	-54.20
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CC1(C2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)NC(=O)NC1=O	REAL300001264805	1	49	0.0	-57.01	379.20	4.05	-52.96
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COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC1CCCC1	REAL300001265066	0	55	0.0	-53.76	413.41	9.38	-44.38
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC1CCCC1	REAL300001265066	1	55	0.0	-53.36	408.07	9.39	-43.97
CC1=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=NN1C1=CC=C(F)C=C1	REAL300001265227	0	53	0.0	-50.67	408.58	9.35	-41.32
CC1=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=NN1C1=CC=C(F)C=C1	REAL300001265227	1	53	0.0	-51.60	410.46	9.86	-41.74
CN(CCCOC1=CC=C(F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001265347	0	50	0.0	-49.93	392.52	9.91	-40.02
CN(CCCOC1=CC=C(F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001265347	1	50	0.0	-50.99	392.41	9.92	-41.07
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O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=C(F)C=C2)C2CCCC2)C1	REAL300001265577	1	53	0.0	-50.23	393.12	10.64	-39.59
CCC(=O)NC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001265693	0	47	0.0	-59.46	361.33	7.07	-52.39
CCC(=O)NC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001265693	1	47	0.0	-55.21	367.02	7.03	-48.18
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCC1CC2CCC1C2	REAL300001265784	0	50	0.0	-48.00	363.37	8.73	-39.27
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCC1CC2CCC1C2	REAL300001265784	1	50	0.0	-47.61	356.89	8.70	-38.91
CC1=CC=CC(C)=C1OC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001265894	0	57	0.0	-49.61	418.08	11.33	-38.28
CC1=CC=CC(C)=C1OC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001265894	1	57	0.0	-46.24	412.11	10.91	-35.33
CN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001266101	0	46	0.0	-49.27	372.32	10.50	-38.77
CN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001266101	1	46	0.0	-49.11	373.15	10.51	-38.60
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)COCC1=CC=CC=C1	REAL300001266231	0	53	0.0	-48.77	405.67	9.03	-39.74
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)COCC1=CC=CC=C1	REAL300001266231	1	53	0.0	-47.04	404.52	8.59	-38.45
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2CC2CCCCC2)C1	REAL300001266376	0	56	0.0	-46.06	399.45	11.35	-34.71
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2CC2CCCCC2)C1	REAL300001266376	1	56	0.0	-45.44	397.72	11.33	-34.11
CCC(C1=CC=CC=C1)C1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001266483	0	56	0.0	-45.94	393.21	11.86	-34.08
CCC(C1=CC=CC=C1)C1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001266483	1	56	0.0	-45.30	403.42	12.31	-32.99
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CSC(Br)=C2)C1	REAL300001266848	0	37	0.0	-48.92	328.36	7.08	-41.84
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O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(C3=CC=C4OCCC4=C3)C=C2)C1	REAL300001266965	1	55	0.0	-50.35	420.64	10.67	-39.68
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CS3)CCCC2)C1	REAL300001267076	0	50	0.0	-46.49	386.20	9.74	-36.75
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CS3)CCCC2)C1	REAL300001267076	1	50	0.0	-45.62	385.37	9.79	-35.83
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(=O)N1CCCC1	REAL300001267170	0	47	0.0	-46.29	351.20	5.90	-40.39
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(=O)N1CCCC1	REAL300001267170	1	47	0.0	-46.88	352.64	5.97	-40.91
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(N3C=NC=N3)CC2)C1	REAL300001267269	0	46	0.0	-52.24	341.59	9.00	-43.24
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(N3C=NC=N3)CC2)C1	REAL300001267269	1	46	0.0	-55.93	349.10	9.47	-46.46
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300001267378	0	51	0.0	-49.05	385.01	11.00	-38.05
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300001267378	1	51	0.0	-52.50	385.83	11.43	-41.07
NC(=O)C1C2=CC=CC=C2CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001267482	0	48	0.0	-59.94	357.08	7.31	-52.63
NC(=O)C1C2=CC=CC=C2CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001267482	1	48	0.0	-54.10	363.26	7.32	-46.78
O=C([O-])C1CCC[N@H+](CC(=O)N2CC=C(C3=CC=CC4=CC=CC=C43)CC2)C1	REAL300001267599	0	54	0.0	-50.90	411.62	13.20	-37.70
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC=C(C3=CC=CC4=CC=CC=C43)CC2)C1	REAL300001267599	1	54	0.0	-49.99	411.73	13.19	-36.80
CC1(C)CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300001267724	0	53	0.0	-48.16	382.39	9.91	-38.25
CC1(C)CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300001267724	1	53	0.0	-49.01	383.51	9.94	-39.07
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300001267938	0	53	0.0	-48.83	399.03	11.73	-37.10
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300001267938	1	53	0.0	-50.00	397.44	11.67	-38.33
COC1=CC=CC=C1CC(C)(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001268043	0	53	0.0	-48.35	387.47	8.66	-39.69
COC1=CC=CC=C1CC(C)(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001268043	1	53	0.0	-48.93	381.90	8.70	-40.23
CC(C)(C)C1=CSC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001268160	0	51	0.0	-50.66	397.57	7.88	-42.78
CC(C)(C)C1=CSC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001268160	1	51	0.0	-47.92	395.67	7.42	-40.50
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCS(=O)(=O)N1CCSCC1	REAL300001268289	0	49	0.0	-56.14	387.91	3.82	-52.32
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCS(=O)(=O)N1CCSCC1	REAL300001268289	1	49	0.0	-60.04	389.82	4.25	-55.79
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC(C)=CS1	REAL300001268427	1	45	0.0	-47.31	349.29	6.12	-41.19
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC(C)=CS1	REAL300001268427	1	45	0.0	-50.39	350.02	6.57	-43.82
CS(=O)(=O)NCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001268557	0	41	0.0	-59.12	334.69	0.54	-58.58
CS(=O)(=O)NCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001268557	1	41	0.0	-60.21	335.33	0.56	-59.65
CS(=O)(=O)C1=CC=C(OCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001268657	0	50	0.0	-56.82	401.08	4.54	-52.28
CS(=O)(=O)C1=CC=C(OCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001268657	1	50	0.0	-58.01	407.28	4.56	-53.45
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NC(C3=CC=CO3)=NN2)C1	REAL300001268906	0	43	0.0	-56.62	354.09	5.38	-51.24
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NC(C3=CC=CO3)=NN2)C1	REAL300001268906	1	43	0.0	-52.32	347.90	5.36	-46.96
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCOCC1CCOC1	REAL300001268997	0	48	0.0	-46.87	361.03	4.14	-42.73
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCOCC1CCOC1	REAL300001268997	1	48	0.0	-49.52	362.19	4.58	-44.94
O=C([O-])C1CCC[N@H+](CC(=O)NC2COC3=C2C=CC(Cl)=C3Cl)C1	REAL300001269108	0	42	0.0	-50.21	356.15	7.59	-42.62
O=C([O-])C1CCC[N@@H+](CC(=O)NC2COC3=C2C=CC(Cl)=C3Cl)C1	REAL300001269108	1	42	0.0	-50.69	355.34	7.15	-43.54
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC=C3Cl)CCOCC2)C1	REAL300001269222	0	54	0.0	-50.83	398.88	9.43	-41.40
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC=C3Cl)CCOCC2)C1	REAL300001269222	1	54	0.0	-49.91	392.68	9.40	-40.51
CC1=CC=CC=C1OC1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001269331	0	54	0.0	-48.26	417.67	10.90	-37.36
CC1=CC=CC=C1OC1=CC=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001269331	1	54	0.0	-48.29	423.81	10.92	-37.37
C#CCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001269424	0	43	0.0	-54.11	348.04	8.06	-46.05
C#CCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001269424	1	43	0.0	-52.06	341.70	8.10	-43.96
C#CCOC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001269511	0	43	0.0	-50.71	341.62	8.10	-42.61
C#CCOC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001269511	1	43	0.0	-53.36	347.09	8.08	-45.28
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=NC(C3=CC=CO3)=NN2)C1	REAL300001269676	0	46	0.0	-56.59	367.45	5.67	-50.92
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=NC(C3=CC=CO3)=NN2)C1	REAL300001269676	1	46	0.0	-61.70	369.34	6.11	-55.59
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=CC=C2C(F)(F)F)C1	REAL300001269806	0	47	0.0	-50.41	384.08	8.13	-42.28
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=CC=C2C(F)(F)F)C1	REAL300001269806	1	47	0.0	-50.59	383.44	8.11	-42.48
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C3=C4SC=CC4=NC=N3)CC2)C1	REAL300001269920	0	50	0.0	-50.01	381.61	8.26	-41.75
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C3=C4SC=CC4=NC=N3)CC2)C1	REAL300001269920	1	50	0.0	-54.28	389.19	8.74	-45.54
COC1=CC(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1SC	REAL300001270037	0	51	0.0	-51.65	396.53	9.81	-41.84
COC1=CC(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1SC	REAL300001270037	1	51	0.0	-48.33	395.10	9.36	-38.97
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300001270167	0	52	0.0	-53.02	392.53	7.89	-45.13
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300001270167	1	52	0.0	-50.24	384.30	7.44	-42.80
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300001270294	0	55	0.0	-52.57	410.98	8.39	-44.18
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300001270294	1	55	0.0	-49.81	402.75	7.94	-41.87
O=C([O-])C1CCC[N@H+](CC(=O)N2CCNC(=O)C2C2=CC=CC=C2)C1	REAL300001270407	0	48	0.0	-58.69	365.96	7.04	-51.65
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCNC(=O)C2C2=CC=CC=C2)C1	REAL300001270407	1	48	0.0	-60.82	359.21	7.00	-53.82
COC1=CC=C(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCCC2)C=C1	REAL300001270517	0	54	0.0	-50.26	392.23	9.15	-41.11
COC1=CC=C(C2(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCCC2)C=C1	REAL300001270517	1	54	0.0	-47.08	389.69	8.81	-38.27
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=CC4=CC=CC=C43)CC2)C1	REAL300001270633	0	56	0.0	-46.60	406.44	12.60	-34.00
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=CC4=CC=CC=C43)CC2)C1	REAL300001270633	1	56	0.0	-49.82	413.99	13.07	-36.75
CC1=CC=CC(NC(=O)N2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300001270753	0	56	0.0	-57.61	421.15	9.67	-47.94
CC1=CC=CC(NC(=O)N2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300001270753	1	56	0.0	-53.15	413.68	9.22	-43.93
COC1=CC=CC=C1C1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001270930	0	51	0.0	-49.00	389.35	8.83	-40.17
COC1=CC=CC=C1C1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001270930	1	51	0.0	-48.20	393.89	8.83	-39.37
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)(C)C1=CC=CC=C1	REAL300001271058	0	52	0.0	-46.53	377.69	10.09	-36.44
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)(C)C1=CC=CC=C1	REAL300001271058	1	52	0.0	-46.58	372.26	10.07	-36.51
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001271218	0	53	0.0	-48.42	390.64	10.40	-38.02
CC1=CC(SC(C)(C)C)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001271218	1	53	0.0	-51.26	403.80	11.21	-40.05
COC1=CC=C(CC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001271405	0	57	0.0	-48.50	422.24	11.00	-37.50
COC1=CC=C(CC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001271405	1	57	0.0	-45.89	414.71	10.54	-35.35
CC1=CC=C(C2=NC(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CO2)C=C1	REAL300001271531	0	52	0.0	-55.91	410.00	7.26	-48.65
CC1=CC=C(C2=NC(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CO2)C=C1	REAL300001271531	1	52	0.0	-50.80	408.10	6.82	-43.98
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1F	REAL300001271655	0	49	0.0	-49.34	368.52	9.18	-40.16
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1F	REAL300001271655	1	49	0.0	-46.40	360.29	8.79	-37.61
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1OC1=CC=CC=C1	REAL300001271778	0	54	0.0	-51.33	415.43	11.26	-40.07
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1OC1=CC=CC=C1	REAL300001271778	1	54	0.0	-51.99	413.83	11.12	-40.87
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300001271897	0	54	0.0	-50.67	422.23	11.10	-39.57
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300001271897	1	54	0.0	-50.34	416.74	11.13	-39.21
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(CNC(=O)C3=CC=CC=C3)C2)C1	REAL300001272015	0	57	0.0	-51.14	422.43	9.18	-41.96
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(CNC(=O)C3=CC=CC=C3)C2)C1	REAL300001272015	1	57	0.0	-54.65	429.11	9.64	-45.01
CN(CCC1CCCCC1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001272100	0	52	0.0	-45.85	377.19	10.43	-35.42
CN(CCC1CCCCC1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001272100	1	52	0.0	-46.67	377.08	10.44	-36.23
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2CC2CC3CCC2C3)C1	REAL300001272198	0	57	0.0	-42.65	391.33	11.10	-31.55
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2CC2CC3CCC2C3)C1	REAL300001272198	1	57	0.0	-47.47	397.31	11.66	-35.81
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC2C2=CC=CC=C2C(F)(F)F)C1	REAL300001272352	0	47	0.0	-47.46	371.51	9.66	-37.80
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CC2C2=CC=CC=C2C(F)(F)F)C1	REAL300001272352	1	47	0.0	-47.31	365.65	9.40	-37.91
CC1=NN=NN1C1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300001272481	0	45	0.0	-66.00	365.75	7.48	-58.52
CC1=NN=NN1C1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300001272481	1	45	0.0	-62.95	360.01	7.53	-55.42
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1N1N=NN=C1C	REAL300001272610	0	49	0.0	-64.22	388.57	6.80	-57.42
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1N1N=NN=C1C	REAL300001272610	1	49	0.0	-61.19	382.81	6.85	-54.34
CC1=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2N1	REAL300001272737	0	50	0.0	-52.90	384.20	8.76	-44.14
CC1=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2N1	REAL300001272737	1	50	0.0	-52.58	390.42	8.78	-43.80
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=C4OCOC4=C3)CC2)C1	REAL300001272870	0	50	0.0	-52.49	388.44	7.89	-44.60
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=C4OCOC4=C3)CC2)C1	REAL300001272870	1	50	0.0	-48.49	388.36	8.12	-40.37
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)C1	REAL300001272998	0	60	0.0	-51.27	422.63	9.98	-41.29
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)C1	REAL300001272998	1	60	0.0	-55.80	430.11	10.44	-45.36
CN1C2=CC=CC=C2N=C1CCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001273118	0	52	0.0	-55.59	399.91	9.24	-46.35
CN1C2=CC=CC=C2N=C1CCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001273118	1	52	0.0	-56.03	406.12	9.26	-46.77
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC2=CC=CC=C2N1C	REAL300001273248	0	49	0.0	-49.78	376.33	8.05	-41.73
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC2=CC=CC=C2N1C	REAL300001273248	1	49	0.0	-47.89	376.71	8.51	-39.38
CC1=C(C)SC(C(C)(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001273365	0	48	0.0	-48.21	366.74	7.14	-41.07
CC1=C(C)SC(C(C)(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001273365	1	48	0.0	-47.29	366.87	7.30	-39.99
O=C([O-])C1CCC[N@H+](CC(=O)N2CCSCC2C2=CC=C(Cl)C=C2)C1	REAL300001273491	0	48	0.0	-51.50	381.02	11.16	-40.34
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCSCC2C2=CC=C(Cl)C=C2)C1	REAL300001273491	1	48	0.0	-51.85	374.72	11.13	-40.72
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=NC=CS3)CCCC2)C1	REAL300001273601	1	46	0.0	-52.03	355.85	7.01	-45.02
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=NC=CS3)CCCC2)C1	REAL300001273601	1	46	0.0	-47.40	347.79	7.57	-39.83
CC(C)(O)COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001273716	0	51	0.0	-53.76	393.78	5.93	-47.83
CC(C)(O)COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001273716	1	51	0.0	-54.47	394.14	6.14	-48.33
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001273846	1	49	0.0	-59.51	386.35	6.26	-53.25
CC1=C(CS(C)(=O)=O)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001273846	1	49	0.0	-58.22	381.84	6.34	-51.88
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C(OCC2CCOCC2)C=C1	REAL300001273970	0	55	0.0	-52.83	416.57	8.49	-44.34
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C(OCC2CCOCC2)C=C1	REAL300001273970	1	55	0.0	-51.55	410.22	8.53	-43.02
CC(CC1=CC=C(Cl)C=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001274128	0	49	0.0	-45.33	379.91	11.13	-34.20
CC(CC1=CC=C(Cl)C=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001274128	1	49	0.0	-44.83	378.62	11.10	-33.73
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC2CC2=CC=CC=C2)C1	REAL300001274236	0	53	0.0	-48.68	388.67	11.18	-37.50
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC2CC2=CC=CC=C2)C1	REAL300001274236	1	53	0.0	-48.33	400.62	10.87	-37.46
COC(C1=CC=C(Cl)C=C1)C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001274355	0	50	0.0	-49.92	394.96	8.73	-41.19
COC(C1=CC=C(Cl)C=C1)C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001274355	1	50	0.0	-46.21	394.83	9.14	-37.07
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CN3CCCCC3=O)CC2)C1	REAL300001274482	0	57	0.0	-47.74	402.81	9.21	-38.53
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CN3CCCCC3=O)CC2)C1	REAL300001274482	1	57	0.0	-49.71	410.28	9.66	-40.05
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC2=CC=CC=C2)C2=CC=CS2)C1	REAL300001274599	0	50	0.0	-48.83	400.02	11.39	-37.44
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC2=CC=CC=C2)C2=CC=CS2)C1	REAL300001274599	1	50	0.0	-45.71	399.29	10.93	-34.78
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300001274712	0	52	0.0	-48.01	386.10	10.00	-38.01
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300001274712	1	52	0.0	-45.55	379.39	9.57	-35.98
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1	REAL300001274836	0	43	0.0	-47.89	342.27	8.01	-39.88
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1	REAL300001274836	1	43	0.0	-51.40	349.75	8.46	-42.94
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(COCC3=CC=CC=C3)C=C2)C1	REAL300001274957	0	54	0.0	-52.70	427.43	11.06	-41.64
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(COCC3=CC=CC=C3)C=C2)C1	REAL300001274957	1	54	0.0	-51.95	427.58	11.05	-40.90
CC1=CC=C(C2OCCCC2CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001275079	0	57	0.0	-49.09	419.60	9.56	-39.53
CC1=CC=C(C2OCCCC2CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001275079	1	57	0.0	-49.68	427.95	9.75	-39.93
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=CC=C3)C2)C1	REAL300001275176	0	47	0.0	-48.34	357.41	10.22	-38.12
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=CC=C3)C2)C1	REAL300001275176	1	47	0.0	-45.02	350.48	9.79	-35.23
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CC3=CC=CC=C3)C2)C1	REAL300001275288	0	50	0.0	-44.20	373.82	10.62	-33.58
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CC3=CC=CC=C3)C2)C1	REAL300001275288	1	50	0.0	-46.86	381.27	11.06	-35.80
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300001275409	0	47	0.0	-51.36	366.94	8.16	-43.20
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300001275409	1	47	0.0	-51.45	368.86	8.61	-42.84
COC1=CC=C(OC(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001275535	0	51	0.0	-47.84	387.51	6.93	-40.91
COC1=CC=C(OC(C)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001275535	1	51	0.0	-50.04	394.04	6.89	-43.15
CC1=CC=C(OC(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001275663	0	50	0.0	-48.07	379.72	8.26	-39.81
CC1=CC=C(OC(C)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001275663	1	50	0.0	-48.56	385.62	8.34	-40.22
O=C([O-])C1CCC[N@H+](CC(=O)NCCS(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300001275785	1	46	0.0	-60.24	394.19	5.71	-54.53
O=C([O-])C1CCC[N@@H+](CC(=O)NCCS(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300001275785	1	46	0.0	-59.61	393.55	5.69	-53.92
CCCOC1=CC=C(Cl)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001275894	1	47	0.0	-48.34	378.85	8.96	-39.38
CCCOC1=CC=C(Cl)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001275894	1	47	0.0	-48.37	373.40	8.98	-39.39
CC1=CC=C(NC(=O)C(C)C)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001276061	0	53	0.0	-55.94	405.31	8.53	-47.41
CC1=CC=C(NC(=O)C(C)C)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001276061	1	53	0.0	-53.83	397.47	8.53	-45.30
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001276170	0	51	0.0	-56.81	394.14	8.62	-48.19
CC1=CC=C(NC(=O)C2CC2)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001276170	1	51	0.0	-54.12	389.65	8.72	-45.40
CCC1=NC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300001276316	0	45	0.0	-52.56	349.17	5.27	-47.29
CCC1=NC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300001276316	1	45	0.0	-59.80	349.98	5.72	-54.08
CC1=CC=CC=C1OCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001276447	0	47	0.0	-48.72	366.03	7.77	-40.95
CC1=CC=CC=C1OCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001276447	1	47	0.0	-49.03	366.67	7.79	-41.24
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2CN2C=NC=N2)C1	REAL300001276556	0	46	0.0	-50.11	357.81	10.85	-39.26
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2CN2C=NC=N2)C1	REAL300001276556	1	46	0.0	-50.25	357.06	10.37	-39.88
CC1=C(C)OC(C2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=N1	REAL300001276678	0	49	0.0	-56.59	388.42	7.16	-49.43
CC1=C(C)OC(C2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=N1	REAL300001276678	1	49	0.0	-56.94	390.04	7.21	-49.73
COCCCNC(=O)C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001276809	0	57	0.0	-55.94	428.84	6.35	-49.59
COCCCNC(=O)C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001276809	1	57	0.0	-51.90	421.37	5.89	-46.01
CN(CCC1=CC=CC=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001276925	0	46	0.0	-51.96	355.28	10.28	-41.68
CN(CCC1=CC=CC=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001276925	1	46	0.0	-44.75	354.24	9.82	-34.93
CC(C)CC(=O)NC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001277045	0	56	0.0	-48.10	425.40	8.46	-39.64
CC(C)CC(=O)NC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001277045	1	56	0.0	-53.73	431.60	8.48	-45.25
CC1=CC=CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001277126	0	46	0.0	-49.76	353.40	8.84	-40.92
CC1=CC=CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001277126	1	46	0.0	-46.53	351.49	8.39	-38.14
CCOC1=CC=CC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001277230	0	50	0.0	-49.68	384.92	8.47	-41.21
CCOC1=CC=CC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001277230	1	50	0.0	-50.72	386.06	8.50	-42.22
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(F)C=C2F)C1	REAL300001277346	0	43	0.0	-52.00	350.20	8.29	-43.71
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(F)C=C2F)C1	REAL300001277346	1	43	0.0	-52.85	343.98	8.27	-44.58
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C(Cl)=C1	REAL300001277464	0	43	0.0	-50.67	356.17	8.83	-41.84
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C(Cl)=C1	REAL300001277464	1	43	0.0	-53.31	357.29	8.84	-44.47
CCCS(=O)(=O)NC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001277568	0	54	0.0	-55.33	414.81	6.22	-49.11
CCCS(=O)(=O)NC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001277568	1	54	0.0	-55.80	416.86	6.70	-49.10
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2OC2=CC=CC(F)=C2)C1	REAL300001277660	1	48	0.0	-47.17	378.84	10.33	-36.84
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2OC2=CC=CC(F)=C2)C1	REAL300001277660	1	48	0.0	-47.86	377.43	9.92	-37.94
CC1CCN(C(=O)C2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300001277771	0	57	0.0	-59.83	420.26	9.86	-49.97
CC1CCN(C(=O)C2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300001277771	1	57	0.0	-57.42	426.56	9.82	-47.60
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300001277890	0	45	0.0	-58.53	366.42	8.86	-49.67
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300001277890	1	45	0.0	-57.54	360.21	8.84	-48.70
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(C(=O)NCC3=CC=CO3)=C2)C1	REAL300001278000	0	54	0.0	-54.26	435.33	7.67	-46.59
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(C(=O)NCC3=CC=CO3)=C2)C1	REAL300001278000	1	54	0.0	-54.97	429.12	7.65	-47.32
CC1=CC=CC(C)=C1OCC(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001278160	0	53	0.0	-47.88	406.70	9.46	-38.42
CC1=CC=CC(C)=C1OCC(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001278160	1	53	0.0	-47.67	401.20	9.49	-38.18
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCOC1CCCCC1	REAL300001278278	0	50	0.0	-47.04	374.15	7.13	-39.91
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCOC1CCCCC1	REAL300001278278	1	50	0.0	-46.82	373.51	7.11	-39.71
NC(=O)C1=NN(C2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)C=C1	REAL300001278388	0	48	0.0	-57.37	380.45	5.28	-52.09
NC(=O)C1=NN(C2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)C=C1	REAL300001278388	1	48	0.0	-60.09	386.79	5.25	-54.84
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC2=CC=CC=C2C1	REAL300001278501	0	47	0.0	-48.52	351.85	10.29	-38.23
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC2=CC=CC=C2C1	REAL300001278501	1	47	0.0	-49.01	346.39	10.34	-38.67
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC(C1=CC=C2OCCOC2=C1)C1CC1	REAL300001278600	0	53	0.0	-51.89	397.56	8.86	-43.03
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC(C1=CC=C2OCCOC2=C1)C1CC1	REAL300001278600	1	53	0.0	-52.56	400.07	9.36	-43.20
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=CC(Br)=C2)C1	REAL300001278712	0	44	0.0	-49.33	367.90	7.66	-41.67
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=CC(Br)=C2)C1	REAL300001278712	1	44	0.0	-48.86	368.01	7.65	-41.21
CC(COC1=CC=CC=C1C(F)(F)F)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001278830	0	50	0.0	-49.53	402.37	9.01	-40.52
CC(COC1=CC=CC=C1C(F)(F)F)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001278830	1	50	0.0	-46.17	396.88	9.04	-37.13
C=CCN(CC1=CC=CC=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001278938	0	47	0.0	-43.57	359.06	10.54	-33.03
C=CCN(CC1=CC=CC=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001278938	1	47	0.0	-43.57	362.27	10.44	-33.13
COC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001279040	0	47	0.0	-48.09	363.37	7.35	-40.74
COC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001279040	1	47	0.0	-49.61	369.59	7.37	-42.24
CN(CC1=CC=CC(C(N)=O)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001279208	0	47	0.0	-53.91	367.80	6.26	-47.65
CN(CC1=CC=CC(C(N)=O)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001279208	1	47	0.0	-52.53	368.15	6.26	-46.27
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001279402	1	53	0.0	-48.25	399.76	9.01	-39.24
CCN(CC)C(=O)C1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001279402	1	53	0.0	-46.81	401.63	9.35	-37.46
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3=C(F)C=CC=C32)C1	REAL300001279564	0	44	0.0	-49.27	338.88	8.74	-40.53
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3=C(F)C=CC=C32)C1	REAL300001279564	1	44	0.0	-50.84	344.35	8.70	-42.14
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C(C)(C)C)C=C1	REAL300001279682	0	52	0.0	-47.60	389.06	11.31	-36.29
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C(C)(C)C)C=C1	REAL300001279682	1	52	0.0	-49.01	382.83	11.33	-37.68
CCCN(CC1CCCCC1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001279798	0	55	0.0	-44.61	393.22	11.31	-33.30
CCCN(CC1CCCCC1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001279798	1	55	0.0	-45.30	387.76	11.33	-33.97
COCCCOC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001279906	1	51	0.0	-47.28	388.68	7.11	-40.17
COCCCOC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001279906	1	51	0.0	-47.68	390.34	7.54	-40.14
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OCC(F)(F)F)=C1	REAL300001280014	1	47	0.0	-47.77	374.50	8.37	-39.40
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OCC(F)(F)F)=C1	REAL300001280014	1	47	0.0	-47.50	375.30	8.81	-38.69
COC1=CC=CC=C1C1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300001280129	0	57	0.0	-46.90	406.60	10.69	-36.21
COC1=CC=CC=C1C1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300001280129	1	57	0.0	-48.07	413.04	10.69	-37.38
COC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300001280254	0	51	0.0	-51.26	389.79	6.83	-44.43
COC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300001280254	1	51	0.0	-48.45	387.88	6.37	-42.08
CCOCCOC1=C(Cl)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001280370	1	51	0.0	-52.51	416.09	8.56	-43.95
CCOCCOC1=C(Cl)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001280370	1	51	0.0	-50.30	410.60	8.59	-41.71
CN(C)C(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001280483	1	47	0.0	-58.72	378.80	7.71	-51.01
CN(C)C(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001280483	1	47	0.0	-64.50	368.04	7.66	-56.84
COCCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300001280609	1	48	0.0	-55.55	381.18	6.87	-48.68
COCCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300001280609	1	48	0.0	-60.26	375.96	6.87	-53.39
CNC(=O)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001280738	0	47	0.0	-53.54	366.97	5.68	-47.86
CNC(=O)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001280738	1	47	0.0	-53.70	365.06	5.24	-48.46
NC(=O)CCNC(=O)C1=CC=C(F)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001280852	1	51	0.0	-64.47	410.65	3.32	-61.15
NC(=O)CCNC(=O)C1=CC=C(F)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001280852	1	51	0.0	-69.07	405.19	3.36	-65.71
NC(=O)CCSC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001280954	1	48	0.0	-51.57	380.18	5.73	-45.84
NC(=O)CCSC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001280954	1	48	0.0	-53.64	381.91	6.20	-47.44
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3=C(Br)C=CC=C32)C1	REAL300001281068	0	44	0.0	-48.40	353.23	9.26	-39.14
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3=C(Br)C=CC=C32)C1	REAL300001281068	1	44	0.0	-49.94	358.70	9.22	-40.72
CC1=CC(OC(C)C2=CC=CC=C2)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001281354	0	57	0.0	-49.43	431.74	11.71	-37.72
CC1=CC(OC(C)C2=CC=CC=C2)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001281354	1	57	0.0	-51.55	429.63	12.06	-39.49
CC1=CC=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001281429	0	43	0.0	-46.84	340.74	9.41	-37.43
CC1=CC=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001281429	1	43	0.0	-49.34	340.80	9.41	-39.93
CC1=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)SC=N1	REAL300001281670	0	42	0.0	-48.05	328.32	7.05	-41.00
CC1=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)SC=N1	REAL300001281670	1	42	0.0	-50.04	334.84	7.11	-42.93
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(F)C=C2C2=CC=C(Cl)C=C2)C1	REAL300001281834	0	47	0.0	-49.10	384.63	11.96	-37.14
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(F)C=C2C2=CC=C(Cl)C=C2)C1	REAL300001281834	1	47	0.0	-51.62	390.19	11.94	-39.68
CC(C)(C)C1=NC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2S1	REAL300001281943	0	51	0.0	-51.79	396.99	8.82	-42.97
CC(C)(C)C1=NC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2S1	REAL300001281943	1	51	0.0	-55.11	397.79	9.27	-45.84
CC1=CC=CC(COC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C(C)=C2)=C1	REAL300001282046	0	57	0.0	-49.49	435.12	11.72	-37.77
CC1=CC=CC(COC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C(C)=C2)=C1	REAL300001282046	1	57	0.0	-52.08	434.95	12.12	-39.96
CCOC1=CC=C(OC)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001282136	1	48	0.0	-49.17	370.10	6.92	-42.25
CCOC1=CC=C(OC)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001282136	1	48	0.0	-50.20	363.81	6.95	-43.25
CC(C)SC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001282253	0	53	0.0	-49.42	418.81	10.90	-38.52
CC(C)SC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001282253	1	53	0.0	-48.47	406.11	10.68	-37.79
CCSC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001282381	0	50	0.0	-49.49	395.19	10.12	-39.37
CCSC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001282381	1	50	0.0	-50.10	389.72	10.14	-39.96
CON(C)C(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001282540	0	48	0.0	-57.12	377.98	7.41	-49.71
CON(C)C(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001282540	1	48	0.0	-57.64	378.56	7.43	-50.21
CC(C)C1C(=O)NCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001282626	0	47	0.0	-58.78	340.25	5.83	-52.95
CC(C)C1C(=O)NCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001282626	1	47	0.0	-56.45	335.03	5.17	-51.28
O=C([O-])C1CCC[N@H+](CC(=O)NCC(=O)N2CCCCC2)C1	REAL300001282696	0	47	0.0	-49.83	353.48	6.02	-43.81
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(=O)N2CCCCC2)C1	REAL300001282696	1	47	0.0	-49.14	353.59	6.01	-43.13
COC1=C2OC(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC2=CC=C1	REAL300001282806	0	47	0.0	-50.26	367.89	7.21	-43.05
COC1=C2OC(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC2=CC=C1	REAL300001282806	1	47	0.0	-53.45	374.08	7.23	-46.22
CC(C)(CC1=CC=CC=C1Cl)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001282924	0	49	0.0	-48.10	370.40	9.33	-38.77
CC(C)(CC1=CC=CC=C1Cl)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001282924	1	49	0.0	-47.55	364.19	9.33	-38.22
CC1=CC=CC=C1CC(C)(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001283030	0	52	0.0	-48.87	373.05	9.44	-39.43
CC1=CC=CC=C1CC(C)(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001283030	1	52	0.0	-49.61	373.88	9.46	-40.15
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1	REAL300001283146	1	50	0.0	-58.39	384.52	2.35	-56.04
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(=O)N1CCS(=O)(=O)CC1	REAL300001283146	1	50	0.0	-55.70	384.51	2.79	-52.91
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300001283271	0	46	0.0	-49.33	375.02	9.67	-39.66
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300001283271	1	46	0.0	-51.86	374.91	9.68	-42.18
CN(CCC1=CC=CC2=CC=CC=C21)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001283384	0	52	0.0	-49.86	392.28	12.35	-37.51
CN(CCC1=CC=CC2=CC=CC=C21)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001283384	1	52	0.0	-49.88	398.53	12.38	-37.50
CN(CCCC1=CC(C2=CC=CC=C2)=NO1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001283512	0	55	0.0	-53.96	426.29	12.17	-41.79
CN(CCCC1=CC(C2=CC=CC=C2)=NO1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001283512	1	55	0.0	-56.10	426.68	12.35	-43.75
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C3=NNC(=O)C=C3)=C2)C1	REAL300001283634	0	46	0.0	-60.18	361.10	6.40	-53.78
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C3=NNC(=O)C=C3)=C2)C1	REAL300001283634	1	46	0.0	-56.34	366.29	6.39	-49.95
CN1C(=O)N(C)C2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300001283765	0	47	0.0	-57.65	363.97	7.79	-49.86
CN1C(=O)N(C)C2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300001283765	1	47	0.0	-60.32	364.61	8.22	-52.10
CC1=CC(SC2CCCCC2)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001283903	0	57	0.0	-47.90	421.95	12.07	-35.83
CC1=CC(SC2CCCCC2)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001283903	1	57	0.0	-49.82	422.76	12.52	-37.30
CC1=CC(C)=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001283990	0	49	0.0	-46.42	366.53	9.10	-37.32
CC1=CC(C)=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001283990	1	49	0.0	-47.95	372.74	9.13	-38.82
COC1=CC(F)=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001284108	1	45	0.0	-51.89	354.59	6.62	-45.27
COC1=CC(F)=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001284108	1	45	0.0	-49.40	349.13	6.63	-42.77
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC(C(C)(C)C)=CS1	REAL300001284232	1	51	0.0	-48.09	395.05	7.77	-40.32
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC(C(C)(C)C)=CS1	REAL300001284232	1	51	0.0	-48.13	395.12	7.78	-40.35
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=C(F)C(F)=C2)C1	REAL300001284451	0	44	0.0	-52.59	359.31	7.15	-45.44
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=C(F)C(F)=C2)C1	REAL300001284451	1	44	0.0	-52.68	353.10	7.13	-45.55
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3=CC=C(F)C=C32)C1	REAL300001284564	0	44	0.0	-50.45	344.40	8.68	-41.77
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3=CC=C(F)C=C32)C1	REAL300001284564	1	44	0.0	-50.38	344.36	8.71	-41.67
CC(C)(C)CC1=NC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300001284684	0	54	0.0	-51.69	405.71	7.25	-44.44
CC(C)(C)CC1=NC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300001284684	1	54	0.0	-58.81	406.55	7.70	-51.11
CC1=CC(C)=CC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001284788	0	49	0.0	-47.75	376.40	9.58	-38.17
CC1=CC(C)=CC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001284788	1	49	0.0	-46.87	370.91	9.60	-37.27
CC1=NC(C)=C(C(C)N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001284930	0	48	0.0	-49.36	371.95	8.19	-41.17
CC1=NC(C)=C(C(C)N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001284930	1	48	0.0	-50.40	372.73	8.18	-42.22
CC(C)COC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001285074	0	56	0.0	-50.95	424.96	9.89	-41.06
CC(C)COC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001285074	1	56	0.0	-51.43	431.16	9.91	-41.52
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(N3CCCC3=O)C2)C1	REAL300001285258	0	51	0.0	-49.24	367.03	7.87	-41.37
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(N3CCCC3=O)C2)C1	REAL300001285258	1	51	0.0	-51.80	373.76	8.33	-43.47
CSCC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001285373	0	44	0.0	-50.27	356.07	9.18	-41.09
CSCC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001285373	1	44	0.0	-51.10	350.88	9.20	-41.90
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC2=CNC3=CC=CC=C23)C1	REAL300001285494	0	50	0.0	-51.22	391.61	9.03	-42.19
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC2=CNC3=CC=CC=C23)C1	REAL300001285494	1	50	0.0	-50.80	390.97	9.01	-41.79
COC1=CC(OC)=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300001285621	0	55	0.0	-50.60	423.33	6.21	-44.39
COC1=CC(OC)=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300001285621	1	55	0.0	-51.27	423.98	6.24	-45.03
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC(C2=CC=CC=C2)=CS1	REAL300001285745	1	49	0.0	-49.13	391.99	8.54	-40.59
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC(C2=CC=CC=C2)=CS1	REAL300001285745	1	49	0.0	-53.16	392.83	9.00	-44.16
CC1=NOC(C)=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001285835	0	45	0.0	-55.29	349.28	6.95	-48.34
CC1=NOC(C)=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001285835	1	45	0.0	-51.70	347.22	6.50	-45.20
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C(O)C3=CC=C(F)C=C3)CC2)C1	REAL300001285943	0	54	0.0	-50.27	401.54	8.83	-41.44
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C(O)C3=CC=C(F)C=C3)CC2)C1	REAL300001285943	1	54	0.0	-51.91	401.61	8.81	-43.10
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3=C(C=CS3)C2)C1	REAL300001286056	0	44	0.0	-44.14	333.61	9.08	-35.06
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3=C(C=CS3)C2)C1	REAL300001286056	1	44	0.0	-47.46	341.13	9.55	-37.91
CC1=CC=C(CC(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001286174	0	52	0.0	-47.35	394.51	10.19	-37.16
CC1=CC=C(CC(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001286174	1	52	0.0	-49.54	388.96	10.22	-39.32
CC(C)COC1=CC=C(C(C)(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001286287	0	59	0.0	-48.49	435.30	10.41	-38.08
CC(C)COC1=CC=C(C(C)(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001286287	1	59	0.0	-47.72	429.83	10.44	-37.28
CC(C)(C)C(=O)NCC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001286401	0	59	0.0	-53.26	432.16	8.58	-44.68
CC(C)(C)C(=O)NCC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001286401	1	59	0.0	-49.92	425.52	8.13	-41.79
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCC(C3=CC=CC=C3)CC2)C1	REAL300001286554	0	56	0.0	-46.14	407.92	10.80	-35.34
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCC(C3=CC=CC=C3)CC2)C1	REAL300001286554	1	56	0.0	-48.73	409.82	11.25	-37.48
CCC1=C2NC=C(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=CC=C1	REAL300001286711	0	53	0.0	-51.59	406.82	9.64	-41.95
CCC1=C2NC=C(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=CC=C1	REAL300001286711	1	53	0.0	-48.65	404.91	9.19	-39.46
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(F)=CC=C2OCC2CCCO2)C1	REAL300001286826	1	52	0.0	-50.73	398.13	8.08	-42.65
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(F)=CC=C2OCC2CCCO2)C1	REAL300001286826	1	52	0.0	-50.28	403.32	8.16	-42.12
CCOC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC	REAL300001286991	0	51	0.0	-50.57	391.09	7.52	-43.05
CCOC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC	REAL300001286991	1	51	0.0	-52.67	397.30	7.54	-45.13
CC(C)C1=CC=C(CCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001287220	0	55	0.0	-48.16	419.28	10.88	-37.28
CC(C)C1=CC=C(CCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001287220	1	55	0.0	-48.73	419.93	10.90	-37.83
COCCOC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001287392	0	51	0.0	-50.31	382.45	6.74	-43.57
COCCOC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001287392	1	51	0.0	-46.37	374.98	6.28	-40.09
CC(C)CC1COCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001287497	0	50	0.0	-46.11	347.05	7.55	-38.56
CC(C)CC1COCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001287497	1	50	0.0	-48.22	354.44	7.65	-40.57
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300001287602	0	46	0.0	-56.47	374.80	7.71	-48.76
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300001287602	1	46	0.0	-56.12	374.16	7.69	-48.43
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=COC(C3=CC=CC=C3)=N2)C1	REAL300001287733	0	46	0.0	-51.79	373.91	5.86	-45.93
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=COC(C3=CC=CC=C3)=N2)C1	REAL300001287733	1	46	0.0	-48.69	367.17	5.82	-42.87
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NC3=CC(F)=CC=C3N2)C1	REAL300001287861	0	43	0.0	-55.00	349.51	6.21	-48.79
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NC3=CC(F)=CC=C3N2)C1	REAL300001287861	1	43	0.0	-50.33	343.32	6.19	-44.14
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(C2)C(C(F)(F)F)=NN3)C1	REAL300001287990	0	44	0.0	-51.91	343.48	6.43	-45.48
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(C2)C(C(F)(F)F)=NN3)C1	REAL300001287990	1	44	0.0	-59.11	344.66	6.88	-52.23
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=NC(C3=CC=C(Cl)C=C3)=NO2)C1	REAL300001288111	0	48	0.0	-52.48	397.71	6.89	-45.59
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=NC(C3=CC=C(Cl)C=C3)=NO2)C1	REAL300001288111	1	48	0.0	-55.68	399.62	7.34	-48.34
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2)CC2CCOCC2)C1	REAL300001288273	0	57	0.0	-48.32	416.80	11.19	-37.13
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2)CC2CCOCC2)C1	REAL300001288273	1	57	0.0	-47.04	420.00	11.14	-35.90
CC1=NOC(COC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=N1	REAL300001288388	0	49	0.0	-54.10	387.40	6.20	-47.90
CC1=NOC(COC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=N1	REAL300001288388	1	49	0.0	-57.37	393.75	6.16	-51.21
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)NS(C)(=O)=O	REAL300001288508	0	47	0.0	-58.15	356.60	2.10	-56.05
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)NS(C)(=O)=O	REAL300001288508	1	47	0.0	-53.63	351.95	1.59	-52.04
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCS(=O)(=O)NCC1CCC1	REAL300001288635	0	51	0.0	-60.33	404.96	3.55	-56.78
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCS(=O)(=O)NCC1CCC1	REAL300001288635	1	51	0.0	-59.52	404.32	3.53	-55.99
C=CCOC1=CC=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001288808	0	48	0.0	-47.25	379.89	8.28	-38.97
C=CCOC1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001288808	1	48	0.0	-47.27	373.70	8.26	-39.01
CC1=CC=CC=C1C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300001288967	0	50	0.0	-48.43	376.32	11.04	-37.39
CC1=CC=CC=C1C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300001288967	1	50	0.0	-47.21	364.60	10.10	-37.11
CC1=CC=CC=C1C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)C	REAL300001289069	0	52	0.0	-45.05	373.18	9.18	-35.87
CC1=CC=CC=C1C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)C	REAL300001289069	1	52	0.0	-45.74	374.06	9.63	-36.11
CC1=CC=CC=C1C(CC(C)C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001289185	0	55	0.0	-45.71	390.46	10.20	-35.51
CC1=CC=CC=C1C(CC(C)C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001289185	1	55	0.0	-49.00	392.83	10.91	-38.09
CC1=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)C)OC2=CC=CC=C21	REAL300001289304	0	55	0.0	-47.21	407.74	9.98	-37.23
CC1=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)C)OC2=CC=CC=C21	REAL300001289304	1	55	0.0	-47.40	411.34	10.83	-36.57
CN1C2=CC=C(F)C=C2N=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001289418	0	46	0.0	-54.65	363.41	7.79	-46.86
CN1C2=CC=C(F)C=C2N=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001289418	1	46	0.0	-55.97	370.48	7.83	-48.14
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(SC3=CC=CC=C3)CC2)C1	REAL300001289547	0	48	0.0	-44.02	374.47	9.49	-34.53
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(SC3=CC=CC=C3)CC2)C1	REAL300001289547	1	48	0.0	-44.62	375.77	9.95	-34.67
COCCN(CC1=CC=C2OCOC2=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001289664	0	53	0.0	-51.03	410.78	8.25	-42.78
COCCN(CC1=CC=C2OCOC2=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001289664	1	53	0.0	-54.86	396.95	8.27	-46.59
O=C([O-])C1CCC[N@H+](CC(=O)NCCCNC(=O)C2=CC=CC(F)=C2)C1	REAL300001289778	0	50	0.0	-56.11	401.20	6.71	-49.40
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCNC(=O)C2=CC=CC(F)=C2)C1	REAL300001289778	1	50	0.0	-55.81	394.99	6.69	-49.12
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCN(C2=CC=CC=C2Cl)C1=O	REAL300001289894	0	51	0.0	-53.89	409.44	10.61	-43.28
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCN(C2=CC=CC=C2Cl)C1=O	REAL300001289894	1	51	0.0	-57.61	407.94	10.54	-47.07
CC1=CC=C2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300001289970	0	47	0.0	-49.34	349.02	10.63	-38.71
CC1=CC=C2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300001289970	1	47	0.0	-50.23	349.40	10.65	-39.58
CC(C)C(C1=CC=CC=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001290157	0	52	0.0	-43.92	375.93	10.97	-32.95
CC(C)C(C1=CC=CC=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001290157	1	52	0.0	-47.05	383.41	11.42	-35.63
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCN(C2=CC=CC=C2)C1=O	REAL300001290416	0	54	0.0	-54.05	396.20	10.27	-43.78
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCN(C2=CC=CC=C2)C1=O	REAL300001290416	1	54	0.0	-50.50	398.06	10.00	-40.50
CC(C)(C)C(COC1=CC=CC=C1F)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001290517	0	56	0.0	-48.83	414.74	10.29	-38.54
CC(C)(C)C(COC1=CC=CC=C1F)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001290517	1	56	0.0	-47.99	409.28	10.33	-37.66
CCCN(CC(=O)NC1=CC=C(Cl)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001290636	0	53	0.0	-50.34	426.32	10.30	-40.04
CCCN(CC(=O)NC1=CC=C(Cl)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001290636	1	53	0.0	-53.78	420.85	10.32	-43.46
COC1=CC(C)=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001290740	0	54	0.0	-50.41	401.61	7.58	-42.83
COC1=CC(C)=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001290740	1	54	0.0	-52.16	401.09	7.98	-44.18
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC=CC(F)=C3)CC2)C1	REAL300001290867	0	51	0.0	-59.65	386.41	9.40	-50.25
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC=CC(F)=C3)CC2)C1	REAL300001290867	1	51	0.0	-56.04	392.52	9.23	-46.81
O=C([O-])C1CCC[N@@H+](CC(=O)NCCNC(=O)C2=NC=CC=C2O)C1	REAL300001290990	1	47	0.0	-55.35	378.71	2.69	-52.66
O=C([O-])C1CCC[N@H+](CC(=O)NCCNC(=O)C2=NC=CC=C2O)C1	REAL300001290990	1	47	0.0	-56.11	379.35	2.71	-53.40
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCN(C2=CC=CC=C2Cl)C1=O	REAL300001291099	0	51	0.0	-53.89	409.44	10.61	-43.28
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCN(C2=CC=CC=C2Cl)C1=O	REAL300001291099	1	51	0.0	-57.61	407.94	10.54	-47.07
CC1=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=CC=C1C(=O)N1CCCC1	REAL300001291193	1	54	0.0	-54.86	404.65	9.28	-45.58
CC1=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=CC=C1C(=O)N1CCCC1	REAL300001291193	1	54	0.0	-52.87	401.56	9.34	-43.53
CCC1=CC=CC2=C1N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300001291271	0	47	0.0	-48.29	337.53	10.35	-37.94
CCC1=CC=CC2=C1N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300001291271	1	47	0.0	-46.06	336.12	9.91	-36.15
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC3=CC(OC(F)F)=CC=C32)C1	REAL300001291545	0	51	0.0	-52.01	389.39	8.69	-43.32
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC3=CC(OC(F)F)=CC=C32)C1	REAL300001291545	1	51	0.0	-51.99	388.46	8.66	-43.33
O=C([O-])C1CCC[N@H+](CC(=O)NCCN2CCCS2(=O)=O)C1	REAL300001291749	0	45	0.0	-59.63	360.47	2.76	-56.87
O=C([O-])C1CCC[N@@H+](CC(=O)NCCN2CCCS2(=O)=O)C1	REAL300001291749	1	45	0.0	-58.17	359.62	2.72	-55.45
CCC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001291853	0	49	0.0	-49.58	374.88	9.61	-39.97
CCC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001291853	1	49	0.0	-46.24	372.98	9.17	-37.07
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCOC3=CC=CC=C32)C1	REAL300001291971	0	48	0.0	-46.45	360.46	9.00	-37.45
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCOC3=CC=CC=C32)C1	REAL300001291971	1	48	0.0	-51.62	362.19	8.42	-43.20
CC1=CSC(C2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300001292100	0	46	0.0	-54.22	376.50	8.75	-45.47
CC1=CSC(C2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300001292100	1	46	0.0	-51.94	370.75	8.81	-43.13
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(NC(=O)NC3=CC=C(F)C=C3)C2)C1	REAL300001292221	0	53	0.0	-55.10	416.90	7.59	-47.51
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(NC(=O)NC3=CC=C(F)C=C3)C2)C1	REAL300001292221	1	53	0.0	-55.57	411.65	7.54	-48.03
CCCCCCNC(=O)C1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001292333	0	62	0.0	-52.90	458.75	9.57	-43.33
CCCCCCNC(=O)C1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001292333	1	62	0.0	-49.19	452.11	9.13	-40.06
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=C(F)C=C3)CCC2)C1	REAL300001292454	0	50	0.0	-50.07	386.32	9.93	-40.14
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=C(F)C=C3)CCC2)C1	REAL300001292454	1	50	0.0	-49.66	379.58	9.89	-39.77
CC(C)C(=O)NCC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001293026	0	56	0.0	-53.24	413.27	8.00	-45.24
CC(C)C(=O)NCC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001293026	1	56	0.0	-49.93	406.65	7.56	-42.37
CCCC(=O)NCC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001293155	0	56	0.0	-53.27	415.22	8.11	-45.16
CCCC(=O)NCC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001293155	1	56	0.0	-49.85	408.58	7.66	-42.19
CCCC(=O)NC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001293284	0	53	0.0	-54.37	396.31	7.42	-46.95
CCCC(=O)NC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001293284	1	53	0.0	-50.91	388.85	6.96	-43.95
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(NC(=O)C3=COC=C3)=C2)C1	REAL300001293505	0	48	0.0	-53.61	379.66	7.33	-46.28
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(NC(=O)C3=COC=C3)=C2)C1	REAL300001293505	1	48	0.0	-55.70	385.63	7.27	-48.43
O=C([O-])C1CCC[N@H+](CC(=O)NCCC(=O)N2CCCCCC2)C1	REAL300001293629	0	53	0.0	-52.28	381.16	7.19	-45.09
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC(=O)N2CCCCCC2)C1	REAL300001293629	1	53	0.0	-58.17	383.05	7.63	-50.54
O=C([O-])C1CCC[N@H+](CC(=O)NCCNC(=O)CC2=CC=CC(F)=C2)C1	REAL300001293756	0	50	0.0	-57.48	404.31	6.61	-50.87
O=C([O-])C1CCC[N@@H+](CC(=O)NCCNC(=O)CC2=CC=CC(F)=C2)C1	REAL300001293756	1	50	0.0	-56.72	403.68	6.59	-50.13
O=C([O-])C1CCC[N@H+](CC(=O)NCCC(=O)NCC2=CC=CC=C2)C1	REAL300001293883	0	50	0.0	-56.27	397.80	6.55	-49.72
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC(=O)NCC2=CC=CC=C2)C1	REAL300001293883	1	50	0.0	-55.55	397.15	6.53	-49.02
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC2=CC=CC=C2)C(=O)N2CCCC2)C1	REAL300001293998	0	57	0.0	-50.61	438.00	9.94	-40.67
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC2=CC=CC=C2)C(=O)N2CCCC2)C1	REAL300001293998	1	57	0.0	-52.51	432.64	10.00	-42.51
NC(=O)C1=NN(C2=CC=CC=C2NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001294132	0	48	0.0	-52.30	373.94	5.45	-46.85
NC(=O)C1=NN(C2=CC=CC=C2NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001294132	1	48	0.0	-52.91	376.13	5.91	-47.00
CC1=C(Cl)C=CC=C1NC(=O)CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001294244	0	50	0.0	-57.13	402.91	7.70	-49.43
CC1=C(Cl)C=CC=C1NC(=O)CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001294244	1	50	0.0	-57.91	404.54	7.76	-50.15
CC(C)CCOC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001294414	0	59	0.0	-49.15	445.43	10.58	-38.57
CC(C)CCOC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001294414	1	59	0.0	-49.72	439.97	10.62	-39.10
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OCC3=CC=CC=C3F)C=C2)C1	REAL300001294534	0	51	0.0	-52.55	405.88	10.74	-41.81
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OCC3=CC=CC=C3F)C=C2)C1	REAL300001294534	1	51	0.0	-52.85	399.53	10.77	-42.08
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC(Br)=C3)CC2)C1	REAL300001294742	0	47	0.0	-45.62	373.27	9.39	-36.23
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC(Br)=C3)CC2)C1	REAL300001294742	1	47	0.0	-46.08	377.48	9.82	-36.26
CCS(=O)(=O)CC(C)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001294840	0	48	0.0	-49.84	364.26	5.88	-43.96
CCS(=O)(=O)CC(C)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001294840	1	48	0.0	-49.84	365.07	5.63	-44.21
CCOC1=CC(CCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC	REAL300001294954	0	57	0.0	-53.19	439.66	9.07	-44.12
CCOC1=CC(CCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC	REAL300001294954	1	57	0.0	-53.80	440.30	9.09	-44.71
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OCC3CC3)C=C2)C1	REAL300001295076	0	48	0.0	-52.01	373.93	9.10	-42.91
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OCC3CC3)C=C2)C1	REAL300001295076	1	48	0.0	-50.82	373.79	9.09	-41.73
CC(C)N1C=C2C=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=CC2=N1	REAL300001295203	0	49	0.0	-53.42	373.07	8.22	-45.20
CC(C)N1C=C2C=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=CC2=N1	REAL300001295203	1	49	0.0	-57.03	373.54	8.71	-48.32
CC(C(C)S(C)(=O)=O)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001295320	1	48	0.0	-54.50	357.56	5.36	-49.14
CC(C(C)S(C)(=O)=O)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001295320	1	48	0.0	-61.26	358.86	5.67	-55.59
CC1(C)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CCOC21	REAL300001295400	0	48	0.0	-45.73	347.61	7.49	-38.24
CC1(C)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CCOC21	REAL300001295400	1	48	0.0	-50.50	347.91	6.54	-43.96
CCOC1CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C12CCCC2	REAL300001295508	0	54	0.0	-47.82	398.13	8.74	-39.08
CCOC1CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C12CCCC2	REAL300001295508	1	54	0.0	-49.89	399.97	8.78	-41.11
O=C([O-])C1CCC[N@H+](CC(=O)NCCN2C=NN=C2C2CC2)C1	REAL300001295621	0	46	0.0	-58.36	357.97	8.57	-49.79
O=C([O-])C1CCC[N@@H+](CC(=O)NCCN2C=NN=C2C2CC2)C1	REAL300001295621	1	46	0.0	-62.20	359.89	9.00	-53.20
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC=CC(C(F)(F)F)=C1	REAL300001295725	0	52	0.0	-51.01	392.13	11.68	-39.33
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC=CC(C(F)(F)F)=C1	REAL300001295725	1	52	0.0	-44.77	392.75	11.54	-33.23
CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1OCC(F)(F)F	REAL300001295837	0	47	0.0	-52.82	380.97	8.74	-44.08
CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1OCC(F)(F)F	REAL300001295837	1	47	0.0	-51.47	375.50	8.77	-42.70
CSC1CCCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001295928	0	47	0.0	-48.05	355.46	8.57	-39.48
CSC1CCCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001295928	1	47	0.0	-45.39	352.40	7.68	-37.71
COC1=CC=CC=C1N1CCCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1=O	REAL300001296033	0	55	0.0	-56.38	422.03	8.13	-48.25
COC1=CC=CC=C1N1CCCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1=O	REAL300001296033	1	55	0.0	-58.37	423.32	8.15	-50.22
CCCS(=O)(=O)NC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001296148	0	51	0.0	-58.11	406.35	5.70	-52.41
CCCS(=O)(=O)NC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001296148	1	51	0.0	-56.54	401.12	5.73	-50.81
CCN1N=NN=C1C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001296273	0	48	0.0	-60.48	375.21	7.46	-53.02
CCN1N=NN=C1C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001296273	1	48	0.0	-65.45	369.72	7.50	-57.95
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(Cl)=C2SCC(F)F)C1	REAL300001296385	1	44	0.0	-48.59	375.89	10.19	-38.40
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(Cl)=C2SCC(F)F)C1	REAL300001296385	1	44	0.0	-51.99	381.37	10.17	-41.82
CC1=CC=C(SCC(F)(F)F)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001296476	1	47	0.0	-49.16	390.02	10.40	-38.76
CC1=CC=C(SCC(F)(F)F)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001296476	1	47	0.0	-47.64	384.53	10.43	-37.21
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(COC3CCCC3)C=C2)C1	REAL300001296588	0	54	0.0	-51.20	412.49	10.09	-41.11
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(COC3CCCC3)C=C2)C1	REAL300001296588	1	54	0.0	-50.41	412.61	10.08	-40.33
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(F)C(N3N=NN=C3C3CC3)=C2)C1	REAL300001296798	0	49	0.0	-62.31	391.97	9.02	-53.29
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(F)C(N3N=NN=C3C3CC3)=C2)C1	REAL300001296798	1	49	0.0	-66.59	397.67	9.00	-57.59
CC(C)(C)C1=NC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300001296909	0	47	0.0	-47.63	363.94	4.75	-42.88
CC(C)(C)C1=NC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300001296909	1	47	0.0	-49.16	370.14	4.77	-44.39
CN1C=C(N2CCC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=O)C=N1	REAL300001297028	0	48	0.0	-58.13	377.90	5.69	-52.44
CN1C=C(N2CCC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=O)C=N1	REAL300001297028	1	48	0.0	-64.08	372.43	5.72	-58.36
COCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001297143	0	50	0.0	-49.89	403.67	8.51	-41.38
COCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001297143	1	50	0.0	-50.82	404.84	8.53	-42.29
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC=CC=C3)CC2)C1	REAL300001297254	0	54	0.0	-50.64	402.73	8.50	-42.14
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC=CC=C3)CC2)C1	REAL300001297254	1	54	0.0	-53.10	410.17	8.95	-44.15
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1Cl	REAL300001297378	0	43	0.0	-51.93	347.70	8.83	-43.10
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1Cl	REAL300001297378	1	43	0.0	-50.83	347.70	8.81	-42.02
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300001297536	0	46	0.0	-50.32	349.50	8.76	-41.56
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300001297536	1	46	0.0	-50.96	349.40	8.77	-42.19
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300001297635	0	46	0.0	-49.34	359.82	9.21	-40.13
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300001297635	1	46	0.0	-50.21	359.72	9.23	-40.98
CCCCC(COC)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001297701	0	49	0.0	-46.01	372.87	6.87	-39.14
CCCCC(COC)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001297701	1	49	0.0	-43.66	365.35	6.43	-37.23
CC1=CC=C(C(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001297780	0	49	0.0	-49.34	369.00	9.44	-39.90
CC1=CC=C(C(C)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001297780	1	49	0.0	-46.18	367.84	9.00	-37.18
CC1=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300001297933	0	46	0.0	-48.41	365.21	8.60	-39.81
CC1=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300001297933	1	46	0.0	-51.60	371.39	8.63	-42.97
CC(C)N1C2=CC=CC=C2N=C1C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001298063	0	55	0.0	-48.94	410.61	9.27	-39.67
CC(C)N1C2=CC=CC=C2N=C1C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001298063	1	55	0.0	-47.09	411.47	9.73	-37.36
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300001298187	0	49	0.0	-50.74	372.90	9.30	-41.44
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(F)=C1	REAL300001298187	1	49	0.0	-51.19	372.81	9.31	-41.88
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300001298334	0	46	0.0	-48.98	351.91	8.58	-40.40
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300001298334	1	46	0.0	-54.37	361.86	9.73	-44.64
CCC1=CC=C(C2CCCCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)O1	REAL300001298465	0	56	0.0	-47.02	398.63	12.32	-34.70
CCC1=CC=C(C2CCCCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)O1	REAL300001298465	1	56	0.0	-47.17	404.69	12.37	-34.80
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1=CC=CC=C1OCC1CCCCO1	REAL300001298570	1	55	0.0	-47.41	409.54	9.00	-38.41
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1=CC=CC=C1OCC1CCCCO1	REAL300001298570	1	55	0.0	-46.36	408.71	8.56	-37.80
COC1=CC=C(N2C=CC(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=N2)C=C1	REAL300001298683	0	51	0.0	-51.42	405.20	7.80	-43.62
COC1=CC=C(N2C=CC(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=N2)C=C1	REAL300001298683	1	51	0.0	-52.64	405.08	7.82	-44.82
CC(C)N(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001298869	0	51	0.0	-53.72	389.44	11.27	-42.45
CC(C)N(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001298869	1	51	0.0	-50.12	384.59	11.31	-38.81
CC1=CC(OCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(C)=C1	REAL300001298985	0	50	0.0	-48.67	388.77	8.35	-40.32
CC1=CC(OCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(C)=C1	REAL300001298985	1	50	0.0	-48.92	389.42	8.37	-40.55
CCCCC1=NC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C2N1	REAL300001299114	0	52	0.0	-51.50	395.86	8.57	-42.93
CCCCC1=NC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C2N1	REAL300001299114	1	52	0.0	-56.63	397.03	9.00	-47.63
CCCCC1=NC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2N1	REAL300001299114	1	52	0.0	-52.95	396.07	8.55	-44.40
CCCCC1=NC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2N1	REAL300001299114	1	52	0.0	-56.81	396.87	9.00	-47.81
COC1=CC=C(OCCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001299244	0	51	0.0	-51.41	397.03	7.04	-44.37
COC1=CC=C(OCCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001299244	1	51	0.0	-52.10	397.67	7.06	-45.04
CCCNC(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001299371	1	50	0.0	-58.02	401.80	7.71	-50.31
CCCNC(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001299371	1	50	0.0	-63.38	396.62	7.72	-55.66
CC1=CC(Cl)=CC=C1OCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001299493	0	50	0.0	-50.29	404.33	9.02	-41.27
CC1=CC(Cl)=CC=C1OCCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001299493	1	50	0.0	-51.04	404.97	9.04	-42.00
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3=CC(Cl)=CC=C32)C1	REAL300001299617	0	44	0.0	-50.52	356.91	9.20	-41.32
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3=CC(Cl)=CC=C32)C1	REAL300001299617	1	44	0.0	-50.07	353.54	9.10	-40.97
COC1=CC=C(C)C=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001299818	0	50	0.0	-49.57	381.72	8.20	-41.37
COC1=CC=C(C)C=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001299818	1	50	0.0	-50.15	387.93	8.22	-41.93
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=CC(F)=C2)C1	REAL300001300032	0	43	0.0	-52.14	344.62	8.26	-43.88
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=CC(F)=C2)C1	REAL300001300032	1	43	0.0	-52.03	338.40	8.24	-43.79
CCOC1=C2OC(C(C)NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC2=CC=C1	REAL300001300142	0	53	0.0	-48.96	408.97	8.54	-40.42
CCOC1=C2OC(C(C)NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC2=CC=C1	REAL300001300142	1	53	0.0	-47.98	409.82	9.00	-38.98
COC1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300001300255	0	55	0.0	-51.56	407.50	9.46	-42.10
COC1=CC=C(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300001300255	1	55	0.0	-51.41	413.73	9.48	-41.93
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCCOC1CCCCC1	REAL300001300358	0	53	0.0	-48.48	395.72	7.87	-40.61
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCCOC1CCCCC1	REAL300001300358	1	53	0.0	-47.85	395.08	7.85	-40.00
CC(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001300466	0	49	0.0	-49.27	381.27	9.85	-39.42
CC(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001300466	1	49	0.0	-49.73	381.88	9.86	-39.87
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC=C(F)C=C2)C1	REAL300001300594	0	47	0.0	-49.82	364.76	10.91	-38.91
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC=C(F)C=C2)C1	REAL300001300594	1	47	0.0	-50.27	358.53	10.89	-39.38
COC1=CC=CC(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001300699	0	51	0.0	-51.45	381.69	10.12	-41.33
COC1=CC=CC(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001300699	1	51	0.0	-50.18	387.91	10.14	-40.04
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)N3CCCCC3)CC2)C1	REAL300001300819	0	56	0.0	-52.53	392.60	8.29	-44.24
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)N3CCCCC3)CC2)C1	REAL300001300819	1	56	0.0	-57.37	400.11	8.76	-48.61
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(C=CS3)C2)C1	REAL300001300912	0	41	0.0	-49.29	323.59	8.78	-40.51
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(C=CS3)C2)C1	REAL300001300912	1	41	0.0	-48.17	323.77	8.79	-39.38
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(NC(=O)C3CC3)C=C2)C1	REAL300001301022	0	48	0.0	-57.20	377.93	7.79	-49.41
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(NC(=O)C3CC3)C=C2)C1	REAL300001301022	1	48	0.0	-59.24	371.86	7.84	-51.40
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1	REAL300001301149	0	57	0.0	-58.65	410.56	5.26	-53.39
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1	REAL300001301149	1	57	0.0	-57.76	416.73	5.11	-52.65
CN(C)S(=O)(=O)C1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001301268	0	51	0.0	-55.82	396.22	6.42	-49.40
CN(C)S(=O)(=O)C1=CC=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001301268	1	51	0.0	-50.57	403.70	6.49	-44.08
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2OCC(F)(F)F)C1	REAL300001301471	1	44	0.0	-47.37	354.73	8.14	-39.23
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2OCC(F)(F)F)C1	REAL300001301471	1	44	0.0	-47.93	353.08	7.70	-40.23
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCN(C(=O)C3=CC=CO3)CC2)C1	REAL300001301591	0	51	0.0	-55.65	391.74	6.93	-48.72
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCN(C(=O)C3=CC=CO3)CC2)C1	REAL300001301591	1	51	0.0	-53.02	384.00	6.57	-46.45
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CN(C3=CC=CC=C3)N=C2)C1	REAL300001301720	0	50	0.0	-51.98	388.92	8.92	-43.06
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CN(C3=CC=CC=C3)N=C2)C1	REAL300001301720	1	50	0.0	-55.93	390.83	9.36	-46.57
O=C([O-])C1CCC[N@H+](CC(=O)NCC#CC2=CC=CC=C2)C1	REAL300001301836	0	42	0.0	-49.82	344.38	8.90	-40.92
O=C([O-])C1CCC[N@@H+](CC(=O)NCC#CC2=CC=CC=C2)C1	REAL300001301836	1	42	0.0	-48.97	343.73	8.88	-40.09
CN(CCNS(C)(=O)=O)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001301926	0	44	0.0	-58.45	353.27	2.62	-55.83
CN(CCNS(C)(=O)=O)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001301926	1	44	0.0	-60.37	347.35	2.79	-57.58
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCOC1CCCCCC1	REAL300001302036	0	53	0.0	-46.96	385.42	7.56	-39.40
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCOC1CCCCCC1	REAL300001302036	1	53	0.0	-46.72	384.78	7.53	-39.19
CC(CS(C)(=O)=O)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001302116	1	42	0.0	-55.59	337.97	3.24	-52.35
CC(CS(C)(=O)=O)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001302116	1	42	0.0	-53.29	332.48	3.26	-50.03
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC(F)F	REAL300001302221	0	44	0.0	-50.96	349.28	7.63	-43.33
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC(F)F	REAL300001302221	1	44	0.0	-50.91	344.10	7.64	-43.27
CCS(=O)(=O)CC(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001302334	1	45	0.0	-52.22	352.96	4.21	-48.01
CCS(=O)(=O)CC(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001302334	1	45	0.0	-52.95	353.95	4.16	-48.79
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2OCC2CC2)C1	REAL300001302490	0	51	0.0	-46.86	398.66	9.27	-37.59
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2OCC2CC2)C1	REAL300001302490	1	51	0.0	-47.05	392.47	9.25	-37.80
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(F)C=C2Cl)C1	REAL300001302618	0	43	0.0	-51.55	357.18	8.63	-42.92
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(F)C=C2Cl)C1	REAL300001302618	1	43	0.0	-52.00	351.01	8.61	-43.39
CC1(C2=CC=CC=C2)CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001302785	0	53	0.0	-47.92	383.14	11.46	-36.46
CC1(C2=CC=CC=C2)CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001302785	1	53	0.0	-48.63	383.04	11.48	-37.15
CC(O)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300001302915	0	47	0.0	-50.61	362.60	5.74	-44.87
CC(O)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300001302915	1	47	0.0	-50.53	368.81	5.76	-44.77
CC1=CSC(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCCC2)=N1	REAL300001303034	1	49	0.0	-48.18	374.87	8.03	-40.15
CC1=CSC(C2(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCCC2)=N1	REAL300001303034	1	49	0.0	-48.18	374.79	8.04	-40.14
COC1=CC=CC=C1C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NOC(C)=N1	REAL300001303138	1	52	0.0	-52.01	414.17	6.39	-45.62
COC1=CC=CC=C1C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NOC(C)=N1	REAL300001303138	1	52	0.0	-52.93	406.81	6.02	-46.91
O=C([O-])C1CCC[N@H+](CC(=O)N(CCC2=CC=CC(F)=C2)C2CC2)C1	REAL300001303237	0	50	0.0	-48.15	380.71	11.88	-36.27
O=C([O-])C1CCC[N@@H+](CC(=O)N(CCC2=CC=CC(F)=C2)C2CC2)C1	REAL300001303237	1	50	0.0	-48.77	387.94	11.66	-37.11
CCN1C=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300001303321	0	46	0.0	-50.20	358.50	8.15	-42.05
CCN1C=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300001303321	1	46	0.0	-49.95	359.66	8.19	-41.76
O=C([O-])C1CCC[N@H+](CC(=O)NCCCOC2CCCC3=CC=CC=C32)C1	REAL300001303431	0	57	0.0	-50.14	432.56	10.10	-40.04
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCOC2CCCC3=CC=CC=C32)C1	REAL300001303431	1	57	0.0	-49.44	431.78	10.07	-39.37
CC1=NOC(C)=C1C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001303555	0	45	0.0	-50.16	341.21	7.02	-43.14
CC1=NOC(C)=C1C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001303555	1	45	0.0	-49.09	341.27	7.02	-42.07
CC1=NC(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2F)=NO1	REAL300001303673	1	48	0.0	-52.89	391.26	7.13	-45.76
CC1=NC(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2F)=NO1	REAL300001303673	1	48	0.0	-52.40	385.89	7.11	-45.29
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CS1	REAL300001303776	0	46	0.0	-49.20	361.12	8.56	-40.64
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CS1	REAL300001303776	1	46	0.0	-49.89	361.00	8.57	-41.32
CC(C)(C)C1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001303886	0	55	0.0	-42.91	372.07	10.12	-32.79
CC(C)(C)C1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001303886	1	55	0.0	-46.36	379.50	10.58	-35.78
CC(C)C1=NOC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001303970	0	45	0.0	-48.51	347.96	6.84	-41.67
CC(C)C1=NOC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001303970	1	45	0.0	-52.22	354.69	6.88	-45.34
CC(C)N1C2=CC=CC=C2N=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001304080	0	55	0.0	-58.59	413.38	9.69	-48.90
CC(C)N1C2=CC=CC=C2N=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001304080	1	55	0.0	-56.98	419.59	9.71	-47.27
CC(C)C1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001304170	0	52	0.0	-45.96	358.43	10.29	-35.67
CC(C)C1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001304170	1	52	0.0	-46.35	365.17	10.24	-36.11
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=NC(C3=CC=CC(Cl)=C3)=NO2)C1	REAL300001304271	0	48	0.0	-57.45	405.83	7.35	-50.10
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=NC(C3=CC=CC(Cl)=C3)=NO2)C1	REAL300001304271	1	48	0.0	-57.11	399.62	7.32	-49.79
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCCC2C2=CC=CO2)C1	REAL300001304373	0	50	0.0	-48.24	361.97	10.49	-37.75
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCCC2C2=CC=CO2)C1	REAL300001304373	1	50	0.0	-48.26	356.21	10.43	-37.83
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(CC(F)(F)F)C=C2)C1	REAL300001304490	0	43	0.0	-52.27	351.85	9.08	-43.19
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(CC(F)(F)F)C=C2)C1	REAL300001304490	1	43	0.0	-51.45	345.52	9.11	-42.34
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CSCCS1	REAL300001304598	0	42	0.0	-48.19	340.36	7.40	-40.79
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1CSCCS1	REAL300001304598	1	42	0.0	-47.20	334.21	7.38	-39.82
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(CCO)C2=CC=CC=C2)C1	REAL300001304753	0	50	0.0	-50.58	384.66	6.10	-44.48
O=C([O-])C1CCC[N@H+](CC(=O)NCC(CCO)C2=CC=CC=C2)C1	REAL300001304753	1	50	0.0	-51.37	384.86	6.10	-45.27
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC=C(Cl)C=C32)C1	REAL300001304868	0	41	0.0	-45.29	327.87	9.71	-35.58
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=C(Cl)C=C32)C1	REAL300001304868	1	41	0.0	-42.78	321.67	9.68	-33.10
CC(C)(C)C1=CN=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)O1	REAL300001304978	0	48	0.0	-48.50	369.00	4.88	-43.62
CC(C)(C)C1=CN=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)O1	REAL300001304978	1	48	0.0	-49.79	375.19	4.90	-44.89
CC1=CC=C(C2CSCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001305134	0	51	0.0	-49.94	379.44	11.29	-38.65
CC1=CC=C(C2CSCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001305134	1	51	0.0	-49.60	385.69	11.32	-38.28
COCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C)O1	REAL300001305234	0	47	0.0	-46.53	365.24	5.90	-40.63
COCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C)O1	REAL300001305234	1	47	0.0	-45.98	366.08	6.36	-39.62
CCC1=CC=C(C(COC)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)O1	REAL300001305333	0	50	0.0	-45.61	387.51	7.15	-38.46
CCC1=CC=C(C(COC)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)O1	REAL300001305333	1	50	0.0	-45.80	387.57	7.14	-38.66
CN(CC1=CC=C(OC(F)F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001305450	0	47	0.0	-50.19	373.24	9.06	-41.13
CN(CC1=CC=C(OC(F)F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001305450	1	47	0.0	-47.84	365.78	8.60	-39.24
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CO2)CC2=CC=CS2)C1	REAL300001305572	0	47	0.0	-46.88	383.02	10.58	-36.30
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CO2)CC2=CC=CS2)C1	REAL300001305572	1	47	0.0	-47.27	381.12	10.50	-36.77
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=NC3=CC=CC=C3S2)C1	REAL300001305843	0	49	0.0	-52.76	390.97	9.98	-42.78
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=NC3=CC=CC=C3S2)C1	REAL300001305843	1	49	0.0	-55.37	384.83	9.97	-45.40
CC1=CC(Br)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001305974	0	40	0.0	-48.38	322.77	8.34	-40.04
CC1=CC(Br)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001305974	1	40	0.0	-50.80	323.56	8.78	-42.02
CN(CC1=CC=C(Br)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001306105	0	43	0.0	-47.91	355.29	10.11	-37.80
CN(CC1=CC=C(Br)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001306105	1	43	0.0	-49.60	349.09	10.13	-39.47
CN(CC1=CC=C(Cl)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001306222	0	43	0.0	-47.86	350.72	10.00	-37.86
CN(CC1=CC=C(Cl)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001306222	1	43	0.0	-49.63	344.52	10.03	-39.60
CN(CC1=CC=CC=C1Cl)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001306332	0	43	0.0	-44.05	336.56	9.64	-34.41
CN(CC1=CC=CC=C1Cl)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001306332	1	43	0.0	-45.21	335.04	9.65	-35.56
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(C(F)(F)F)C=C2)C1	REAL300001306455	0	46	0.0	-49.18	368.82	8.73	-40.45
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(C(F)(F)F)C=C2)C1	REAL300001306455	1	46	0.0	-52.17	370.73	9.17	-43.00
COC1=CC=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300001306585	0	51	0.0	-46.01	381.00	8.29	-37.72
COC1=CC=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300001306585	1	51	0.0	-48.70	385.88	9.30	-39.40
COC1=CC(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300001306758	0	51	0.0	-52.70	396.14	8.95	-43.75
COC1=CC(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300001306758	1	51	0.0	-53.24	402.90	8.99	-44.25
CN(CC1=C(F)C=CC=C1Cl)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001306878	0	43	0.0	-44.88	337.13	9.81	-35.07
CN(CC1=C(F)C=CC=C1Cl)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001306878	1	43	0.0	-45.96	343.36	9.83	-36.13
COC1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=C1	REAL300001307083	0	53	0.0	-49.80	394.04	8.63	-41.17
COC1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=C1	REAL300001307083	1	53	0.0	-50.42	395.40	8.74	-41.68
CC(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001307172	0	49	0.0	-47.73	365.31	9.44	-38.29
CC(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001307172	1	49	0.0	-48.09	359.65	9.54	-38.55
CC(C)COCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001307365	0	49	0.0	-47.89	374.78	6.68	-41.21
CC(C)COCCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001307365	1	49	0.0	-48.57	375.42	6.70	-41.87
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3OC(F)(F)OC3=C2)C1	REAL300001307511	1	40	0.0	-52.52	324.38	6.40	-46.12
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3OC(F)(F)OC3=C2)C1	REAL300001307511	1	40	0.0	-52.56	323.58	5.94	-46.62
CC(OCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001307768	0	53	0.0	-49.18	412.32	8.99	-40.19
CC(OCCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001307768	1	53	0.0	-49.78	412.75	9.04	-40.74
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2N2CCCC2=O)C1	REAL300001307887	1	48	0.0	-57.98	369.35	9.01	-48.97
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2N2CCCC2=O)C1	REAL300001307887	1	48	0.0	-51.49	368.58	8.56	-42.93
COCCOCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001307957	0	47	0.0	-49.90	366.80	4.45	-45.45
COCCOCCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001307957	1	47	0.0	-50.48	367.44	4.47	-46.01
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCCOCC1CCCO1	REAL300001308053	0	51	0.0	-50.74	390.91	5.66	-45.08
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCCOCC1CCCO1	REAL300001308053	1	51	0.0	-50.23	390.27	5.64	-44.59
CC1=NC(C2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=CS1	REAL300001308176	0	46	0.0	-52.05	369.01	8.76	-43.29
CC1=NC(C2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=CS1	REAL300001308176	1	46	0.0	-53.49	375.35	8.72	-44.77
COC1=CC=C(OC)C2=C1CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2O	REAL300001308304	0	53	0.0	-48.33	400.61	4.99	-43.34
COC1=CC=C(OC)C2=C1CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2O	REAL300001308304	1	53	0.0	-46.05	392.43	4.55	-41.50
COC1=CC=C(OCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001308426	0	48	0.0	-50.33	375.46	6.30	-44.03
COC1=CC=C(OCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001308426	1	48	0.0	-50.59	376.10	6.32	-44.27
CNC(=O)C1=CC=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001308547	0	50	0.0	-54.31	390.13	7.76	-46.55
CNC(=O)C1=CC=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001308547	1	50	0.0	-52.68	382.92	7.30	-45.38
CSC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001308641	0	41	0.0	-50.95	330.93	8.32	-42.63
CSC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001308641	1	41	0.0	-52.30	331.10	8.32	-43.98
CS(=O)(=O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001308749	1	43	0.0	-58.11	350.62	4.83	-53.28
CS(=O)(=O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001308749	1	43	0.0	-56.97	345.43	4.83	-52.14
CC1=NN(CC2=CC=CC=C2)C(C)=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001308872	0	56	0.0	-50.05	428.33	9.83	-40.22
CC1=NN(CC2=CC=CC=C2)C(C)=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001308872	1	56	0.0	-52.47	438.94	10.02	-42.45
CC1OC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2NC1=O	REAL300001309024	0	46	0.0	-55.58	360.84	5.28	-50.30
CC1OC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2NC1=O	REAL300001309024	1	46	0.0	-54.39	355.76	5.21	-49.18
CCC1=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300001309157	0	52	0.0	-48.64	392.28	11.10	-37.54
CCC1=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300001309157	1	52	0.0	-47.32	387.94	10.78	-36.54
COCCCNC(=O)CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001309283	0	50	0.0	-50.67	389.50	5.04	-45.63
COCCCNC(=O)CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001309283	1	50	0.0	-52.65	390.65	5.07	-47.58
O=C([O-])C1CCC[N@H+](CC(=O)NC(CCCC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001309385	0	59	0.0	-51.18	453.58	14.02	-37.16
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CCCC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001309385	1	59	0.0	-50.21	459.03	13.98	-36.23
CN(CCOC1=CC=C(F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001309487	0	47	0.0	-48.28	368.25	9.23	-39.05
CN(CCOC1=CC=C(F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001309487	1	47	0.0	-49.30	370.08	9.20	-40.10
CN(CCOC1=CC=CC(Cl)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001309611	0	47	0.0	-49.26	379.33	10.04	-39.22
CN(CCOC1=CC=CC(Cl)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001309611	1	47	0.0	-48.58	380.41	9.65	-38.93
CN(CCOC1=CC=CC=C1Cl)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001309740	0	47	0.0	-48.06	378.62	10.08	-37.98
CN(CCOC1=CC=CC=C1Cl)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001309740	1	47	0.0	-47.75	379.70	9.69	-38.06
CN(CCOC1=CC=CC=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001309869	0	47	0.0	-49.92	368.82	9.60	-40.32
CN(CCOC1=CC=CC=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001309869	1	47	0.0	-48.72	369.90	9.20	-39.52
CC1=CC=CC=C1OCCN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001309993	0	50	0.0	-46.88	383.86	9.87	-37.01
CC1=CC=CC=C1OCCN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001309993	1	50	0.0	-47.03	376.47	10.07	-36.96
CCNC(=O)N1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001310109	0	49	0.0	-56.91	365.57	6.16	-50.75
CCNC(=O)N1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001310109	1	49	0.0	-51.72	358.10	5.70	-46.02
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCSC3=CC=C(F)C=C32)C1	REAL300001310228	0	45	0.0	-48.25	349.06	8.89	-39.36
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCSC3=CC=C(F)C=C32)C1	REAL300001310228	1	45	0.0	-50.45	354.48	8.86	-41.59
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300001310358	0	49	0.0	-57.66	394.27	5.78	-51.88
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300001310358	1	49	0.0	-55.42	388.79	5.80	-49.62
COC1=CC=C(C2CCCCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001310473	0	57	0.0	-48.18	410.08	11.11	-37.07
COC1=CC=C(C2CCCCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001310473	1	57	0.0	-48.86	409.96	11.13	-37.73
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3CCCCC3C2)C1	REAL300001310608	0	53	0.0	-47.31	376.98	9.86	-37.45
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3CCCCC3C2)C1	REAL300001310608	1	53	0.0	-46.78	380.18	9.42	-37.36
CC1=NC(C2=CC=C(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=CS1	REAL300001310724	0	52	0.0	-53.33	422.06	9.60	-43.73
CC1=NC(C2=CC=C(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=CS1	REAL300001310724	1	52	0.0	-54.24	422.70	9.62	-44.62
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(OC3=CC=C(F)C=C3)C=C2)C1	REAL300001310865	0	51	0.0	-47.50	405.42	9.95	-37.55
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(OC3=CC=C(F)C=C3)C=C2)C1	REAL300001310865	1	51	0.0	-48.64	407.33	10.39	-38.25
O=C([O-])C1CCC[N@H+](CC(=O)NCCCOC2=CC=CC=C2F)C1	REAL300001310985	0	47	0.0	-52.68	374.40	7.85	-44.83
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCOC2=CC=CC=C2F)C1	REAL300001310985	1	47	0.0	-52.10	373.76	7.83	-44.27
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2OC2=CC=CC=C2Cl)C1	REAL300001311096	1	48	0.0	-49.00	388.94	10.86	-38.14
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2OC2=CC=CC=C2Cl)C1	REAL300001311096	1	48	0.0	-47.19	388.10	10.42	-36.77
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3C(=O)CCCC3=O)C=C2)C1	REAL300001311271	0	50	0.0	-59.91	392.64	8.43	-51.48
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3C(=O)CCCC3=O)C=C2)C1	REAL300001311271	1	50	0.0	-60.59	387.93	8.46	-52.13
CC(C)C(=O)NC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001311399	0	53	0.0	-50.45	406.98	7.77	-42.68
CC(C)C(=O)NC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001311399	1	53	0.0	-53.99	412.71	7.78	-46.21
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC=C3)CCOCC2)C1	REAL300001311531	0	54	0.0	-48.96	394.52	8.47	-40.49
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC=C3)CCOCC2)C1	REAL300001311531	1	54	0.0	-48.69	387.91	8.45	-40.24
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=C(F)C=C3)CCCC2)C1	REAL300001311663	0	53	0.0	-49.50	397.22	11.06	-38.44
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=C(F)C=C3)CCCC2)C1	REAL300001311663	1	53	0.0	-47.19	389.93	11.09	-36.10
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=C(F)C=C3)CC2)C1	REAL300001311790	0	47	0.0	-50.26	374.90	9.55	-40.71
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=C(F)C=C3)CC2)C1	REAL300001311790	1	47	0.0	-47.53	364.55	9.33	-38.20
O=C([O-])C1CCC[N@H+](CC(=O)NCCNC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300001311915	0	47	0.0	-59.80	380.02	7.01	-52.79
O=C([O-])C1CCC[N@@H+](CC(=O)NCCNC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300001311915	1	47	0.0	-59.19	379.38	6.99	-52.20
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(NC(=O)C3=CC=CO3)=C2)C1	REAL300001312093	0	51	0.0	-55.53	413.01	7.44	-48.09
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(NC(=O)C3=CC=CO3)=C2)C1	REAL300001312093	1	51	0.0	-53.96	406.78	7.42	-46.54
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2SCC(F)(F)F)C1	REAL300001312263	1	44	0.0	-47.65	363.14	9.75	-37.90
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2SCC(F)(F)F)C1	REAL300001312263	1	44	0.0	-47.87	361.41	9.28	-38.59
O=C([O-])C1CCC[N@H+](CC(=O)NCC#CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300001312376	0	45	0.0	-50.72	383.43	9.91	-40.81
O=C([O-])C1CCC[N@@H+](CC(=O)NCC#CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300001312376	1	45	0.0	-48.44	377.19	9.89	-38.55
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(NC(=O)NC3=CC=CC=C3)=C2)C1	REAL300001312488	0	53	0.0	-55.55	411.19	8.57	-46.98
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(NC(=O)NC3=CC=CC=C3)=C2)C1	REAL300001312488	1	53	0.0	-53.26	416.67	8.55	-44.71
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(NC(=O)C3=CC=CO3)C=C2)C1	REAL300001312599	0	48	0.0	-55.68	386.65	7.34	-48.34
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(NC(=O)C3=CC=CO3)C=C2)C1	REAL300001312599	1	48	0.0	-53.77	380.95	7.38	-46.39
CS(=O)(=O)NC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001312725	0	45	0.0	-60.59	358.19	4.07	-56.52
CS(=O)(=O)NC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001312725	1	45	0.0	-58.57	364.56	4.01	-54.56
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C(O)C3=CC=CC=C3)CC2)C1	REAL300001312852	0	54	0.0	-49.14	395.14	8.77	-40.37
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C(O)C3=CC=CC=C3)CC2)C1	REAL300001312852	1	54	0.0	-45.74	392.92	8.15	-37.59
COC1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001312967	0	55	0.0	-54.27	410.87	10.02	-44.25
COC1=CC=C(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001312967	1	55	0.0	-53.10	417.08	10.04	-43.06
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(NC(=O)C3=CC=CS3)=C2)C1	REAL300001313104	0	48	0.0	-50.54	388.76	8.34	-42.20
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(NC(=O)C3=CC=CS3)=C2)C1	REAL300001313104	1	48	0.0	-56.17	394.26	8.31	-47.86
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC(C(F)(F)F)C2)C1	REAL300001313223	0	46	0.0	-47.00	343.83	7.98	-39.02
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC(C(F)(F)F)C2)C1	REAL300001313223	1	46	0.0	-49.54	351.32	8.43	-41.11
NC(=O)NC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001313347	0	46	0.0	-52.15	359.80	3.48	-48.67
NC(=O)NC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001313347	1	46	0.0	-52.61	357.89	3.04	-49.57
NC(=O)NC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001313489	0	43	0.0	-60.39	333.97	3.44	-56.95
NC(=O)NC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001313489	1	43	0.0	-56.19	339.65	3.41	-52.78
CC(C1=CC=C(F)C(F)=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001313596	0	46	0.0	-48.80	351.92	10.11	-38.69
CC(C1=CC=C(F)C(F)=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001313596	1	46	0.0	-48.98	355.68	10.18	-38.80
CN(C)C(=O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001313710	0	47	0.0	-54.99	360.41	7.12	-47.87
CN(C)C(=O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001313710	1	47	0.0	-58.26	357.86	7.16	-51.10
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300001313844	0	47	0.0	-51.85	387.63	8.11	-43.74
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300001313844	1	47	0.0	-49.85	381.43	8.09	-41.76
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2CC2=CC=CC=C2)C1	REAL300001313956	0	50	0.0	-47.74	375.46	11.07	-36.67
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2CC2=CC=CC=C2)C1	REAL300001313956	1	50	0.0	-45.07	362.46	10.72	-34.35
CN(C)C(=O)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001314070	0	50	0.0	-55.18	382.06	7.24	-47.94
CN(C)C(=O)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001314070	1	50	0.0	-53.95	381.15	6.79	-47.16
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC(C(F)(F)F)CC2)C1	REAL300001314198	0	46	0.0	-50.98	356.43	8.02	-42.96
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC(C(F)(F)F)CC2)C1	REAL300001314198	1	46	0.0	-50.28	356.52	8.01	-42.27
NS(=O)(=O)CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001314324	0	45	0.0	-60.32	362.80	2.99	-57.33
NS(=O)(=O)CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001314324	1	45	0.0	-60.98	369.15	2.95	-58.03
NC(=O)NC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001314619	0	43	0.0	-53.39	339.31	3.39	-50.00
NC(=O)NC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001314619	1	43	0.0	-55.02	333.84	3.40	-51.62
CNC(=O)NC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001314737	0	46	0.0	-53.14	361.27	4.83	-48.31
CNC(=O)NC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001314737	1	46	0.0	-55.23	355.77	4.84	-50.39
CS(=O)(=O)CC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001314863	0	49	0.0	-58.60	395.52	5.61	-52.99
CS(=O)(=O)CC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001314863	1	49	0.0	-56.06	393.61	5.17	-50.89
CC1=CC=CC(C)=C1OCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001314987	0	50	0.0	-48.66	387.19	8.58	-40.08
CC1=CC=CC(C)=C1OCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001314987	1	50	0.0	-48.99	387.83	8.60	-40.39
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=CC(Cl)=C2)C1	REAL300001315111	0	44	0.0	-49.39	363.34	7.56	-41.83
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=CC(Cl)=C2)C1	REAL300001315111	1	44	0.0	-48.93	363.45	7.54	-41.39
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CC(=O)N3CCCC3)CC2)C1	REAL300001315238	0	57	0.0	-47.68	409.01	9.17	-38.51
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CC(=O)N3CCCC3)CC2)C1	REAL300001315238	1	57	0.0	-49.47	416.48	9.64	-39.83
O=C([O-])C1CCC[N@H+](CC(=O)NCCS(=O)(=O)NCC2=CC=CC=C2)C1	REAL300001315363	0	51	0.0	-61.94	416.70	4.48	-57.46
O=C([O-])C1CCC[N@@H+](CC(=O)NCCS(=O)(=O)NCC2=CC=CC=C2)C1	REAL300001315363	1	51	0.0	-61.22	416.06	4.46	-56.76
CCC1=CC(=O)NC(C2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300001315549	0	52	0.0	-58.84	409.99	8.56	-50.28
CCC1=CC(=O)NC(C2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300001315549	1	52	0.0	-58.75	404.24	8.60	-50.15
CN(C)S(=O)(=O)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001315668	0	51	0.0	-53.51	406.82	5.37	-48.14
CN(C)S(=O)(=O)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001315668	1	51	0.0	-53.31	404.08	4.96	-48.35
CC(C)C1=CC=C(OCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001315789	0	53	0.0	-48.24	406.16	8.94	-39.30
CC(C)C1=CC=C(OCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001315789	1	53	0.0	-48.51	406.80	8.97	-39.54
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCOC1=CC=C2OCOC2=C1	REAL300001315918	0	47	0.0	-53.10	372.67	5.68	-47.42
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCOC1=CC=C2OCOC2=C1	REAL300001315918	1	47	0.0	-53.00	372.03	5.66	-47.34
CCC(C)NC(=O)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001316098	0	56	0.0	-52.66	429.71	8.29	-44.37
CCC(C)NC(=O)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001316098	1	56	0.0	-55.43	435.92	8.31	-47.12
O=C([O-])C1CCC[N@H+](CC(=O)NCCCOCC(F)(F)F)C1	REAL300001316291	0	43	0.0	-51.48	353.39	5.67	-45.81
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCOCC(F)(F)F)C1	REAL300001316291	1	43	0.0	-50.80	352.75	5.65	-45.15
CCC(C)C(=O)NC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001316411	0	56	0.0	-48.22	424.63	8.41	-39.81
CCC(C)C(=O)NC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001316411	1	56	0.0	-55.00	430.58	8.44	-46.56
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC=CS1	REAL300001316493	1	42	0.0	-44.18	326.80	5.71	-38.47
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC=CS1	REAL300001316493	1	42	0.0	-44.81	326.92	5.86	-38.95
CC1=CSC(C(C)(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001316581	0	45	0.0	-49.26	353.42	6.44	-42.82
CC1=CSC(C(C)(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001316581	1	45	0.0	-47.28	347.98	6.59	-40.69
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300001316679	0	57	0.0	-49.38	441.36	11.01	-38.37
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300001316679	1	57	0.0	-52.36	443.26	11.46	-40.90
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C(=O)NCC3CC3)C2)C1	REAL300001316859	0	54	0.0	-49.11	397.67	7.59	-41.52
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C(=O)NCC3CC3)C2)C1	REAL300001316859	1	54	0.0	-53.48	404.34	8.03	-45.45
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CS2)C2=CC=C(Cl)C=C2)C1	REAL300001316970	0	47	0.0	-50.41	400.65	10.96	-39.45
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CS2)C2=CC=C(Cl)C=C2)C1	REAL300001316970	1	47	0.0	-47.22	393.66	10.51	-36.71
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1	REAL300001317074	0	55	0.0	-47.79	399.65	6.52	-41.27
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1	REAL300001317074	1	55	0.0	-50.62	407.12	6.98	-43.64
CCN(CCC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001317176	0	49	0.0	-47.11	375.63	11.17	-35.94
CCN(CCC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001317176	1	49	0.0	-48.38	370.13	11.21	-37.17
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(CCO)C=C2)C1	REAL300001317256	0	44	0.0	-51.52	338.85	5.44	-46.08
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(CCO)C=C2)C1	REAL300001317256	1	44	0.0	-52.28	345.20	5.39	-46.89
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C(=O)C3=CC=CC=C3)=C2)C1	REAL300001317364	1	49	0.0	-55.86	381.01	10.59	-45.27
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C(=O)C3=CC=CC=C3)=C2)C1	REAL300001317364	1	49	0.0	-56.71	386.78	10.53	-46.18
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300001317464	1	41	0.0	-53.54	325.70	6.65	-46.89
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300001317464	1	41	0.0	-57.60	320.48	6.67	-50.93
CC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001317529	0	46	0.0	-47.63	354.95	8.93	-38.70
CC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001317529	1	46	0.0	-48.09	349.49	8.96	-39.13
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(C)=C1	REAL300001317581	0	46	0.0	-47.41	354.72	10.55	-36.86
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(C)=C1	REAL300001317581	1	46	0.0	-43.88	346.27	10.03	-33.85
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(F)=CC(F)=C2)C1	REAL300001317647	0	40	0.0	-50.66	329.53	7.56	-43.10
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(F)=CC(F)=C2)C1	REAL300001317647	1	40	0.0	-50.05	328.89	7.54	-42.51
CC1=CC=C(Br)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001317747	0	40	0.0	-51.03	329.05	8.76	-42.27
CC1=CC=C(Br)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001317747	1	40	0.0	-52.36	323.56	8.79	-43.57
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CNC3=CC(F)=CC=C23)C1	REAL300001317902	0	47	0.0	-50.35	368.41	7.85	-42.50
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CNC3=CC(F)=CC=C23)C1	REAL300001317902	1	47	0.0	-53.09	370.32	8.30	-44.79
O=C([O-])C1CCC[N@H+](CC(=O)NC2=C3C=CNC3=CC=C2)C1	REAL300001317983	0	41	0.0	-51.00	315.32	7.37	-43.63
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=C3C=CNC3=CC=C2)C1	REAL300001317983	1	41	0.0	-48.34	314.49	6.93	-41.41
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(Br)C(F)=C2)C1	REAL300001318090	1	37	0.0	-51.13	311.75	7.97	-43.16
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(Br)C(F)=C2)C1	REAL300001318090	1	37	0.0	-53.10	317.26	7.95	-45.15
CC(=O)NC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001318218	0	47	0.0	-49.22	366.60	6.29	-42.93
CC(=O)NC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001318218	1	47	0.0	-55.98	372.80	6.33	-49.65
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(F)C=C2C(F)(F)F)C1	REAL300001318346	0	43	0.0	-49.44	353.33	8.90	-40.54
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(F)C=C2C(F)(F)F)C1	REAL300001318346	1	43	0.0	-49.54	347.10	8.88	-40.66
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC3=NNN=C3C=C2)C1	REAL300001318430	0	39	0.0	-53.26	304.69	4.58	-48.68
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC3=NNN=C3C=C2)C1	REAL300001318430	1	39	0.0	-52.66	303.55	4.16	-48.50
CC1=CC=C(C(F)(F)F)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001318537	0	43	0.0	-52.65	346.50	9.14	-43.51
CC1=CC=C(C(F)(F)F)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001318537	1	43	0.0	-54.42	341.32	9.19	-45.23
CS(=O)(=O)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001318665	0	46	0.0	-55.00	371.19	4.93	-50.07
CS(=O)(=O)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001318665	1	46	0.0	-57.41	377.39	4.95	-52.46
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CNC3=CC=C(Cl)C=C23)C1	REAL300001318797	0	47	0.0	-49.39	378.80	8.29	-41.10
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CNC3=CC=C(Cl)C=C23)C1	REAL300001318797	1	47	0.0	-51.77	380.71	8.73	-43.04
CC(C)(C)C1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001318950	0	55	0.0	-49.36	408.19	10.49	-38.87
CC(C)(C)C1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001318950	1	55	0.0	-46.05	406.29	10.05	-36.00
CC(C)OC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001319172	0	47	0.0	-51.66	354.80	8.25	-43.41
CC(C)OC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001319172	1	47	0.0	-51.39	359.99	8.16	-43.23
CC1=NC=CC(C2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300001319290	0	48	0.0	-55.00	378.86	8.93	-46.07
CC1=NC=CC(C2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300001319290	1	48	0.0	-57.69	373.05	8.98	-48.71
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001319412	1	53	0.0	-45.94	391.25	7.76	-38.18
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001319412	1	53	0.0	-44.56	390.83	8.19	-36.37
CC(C)OC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001319528	0	50	0.0	-47.63	379.78	8.25	-39.38
CC(C)OC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001319528	1	50	0.0	-46.51	377.88	7.81	-38.70
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2Br)C1	REAL300001319654	0	40	0.0	-47.43	334.94	8.02	-39.41
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2Br)C1	REAL300001319654	1	40	0.0	-45.18	328.73	8.00	-37.18
CC(C)OC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001319799	0	50	0.0	-47.04	379.79	8.25	-38.79
CC(C)OC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001319799	1	50	0.0	-48.92	385.98	8.27	-40.65
CCCCOC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001319912	1	50	0.0	-45.46	376.51	8.82	-36.64
CCCCOC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001319912	1	50	0.0	-46.32	378.16	9.25	-37.07
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(OC(F)F)=C2)C1	REAL300001320149	0	41	0.0	-52.49	323.73	6.91	-45.58
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(OC(F)F)=C2)C1	REAL300001320149	1	41	0.0	-53.67	329.20	6.88	-46.79
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C3=NNC=C3)=C2)C1	REAL300001320261	0	44	0.0	-58.44	343.63	7.35	-51.09
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C3=NNC=C3)=C2)C1	REAL300001320261	1	44	0.0	-54.74	349.17	7.32	-47.42
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(F)C(Cl)=C2)C1	REAL300001320409	0	40	0.0	-52.06	339.30	7.98	-44.08
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(F)C(Cl)=C2)C1	REAL300001320409	1	40	0.0	-48.94	333.09	7.96	-40.98
NC(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001320523	0	41	0.0	-56.97	325.14	4.10	-52.87
NC(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001320523	1	41	0.0	-58.34	325.33	4.10	-54.24
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C1	REAL300001320630	1	43	0.0	-50.61	361.64	8.85	-41.76
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C1	REAL300001320630	1	43	0.0	-54.09	368.79	9.30	-44.79
CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001320835	0	57	0.0	-42.26	409.03	11.07	-31.19
CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001320835	1	57	0.0	-42.11	407.82	11.03	-31.08
COCCN(CCOC)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001320930	0	47	0.0	-41.95	344.81	6.04	-35.91
COCCN(CCOC)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001320930	1	47	0.0	-47.01	351.62	5.78	-41.23
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(I)C=C2)C1	REAL300001321030	0	37	0.0	-51.63	318.38	8.41	-43.22
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(I)C=C2)C1	REAL300001321030	1	37	0.0	-50.53	312.33	8.43	-42.10
CCCCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001321129	0	49	0.0	-49.39	370.43	10.33	-39.06
CCCCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001321129	1	49	0.0	-49.64	376.77	10.30	-39.34
CC(C)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001321211	0	46	0.0	-49.26	344.73	9.25	-40.01
CC(C)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001321211	1	46	0.0	-49.74	350.79	9.23	-40.51
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300001321318	0	41	0.0	-52.39	336.90	7.08	-45.31
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300001321318	1	41	0.0	-51.57	336.73	7.09	-44.48
CCN1C2=C(C=CC=C2)C2=C1C=CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)=C2	REAL300001321446	0	53	0.0	-50.89	405.36	11.61	-39.28
CCN1C2=C(C=CC=C2)C2=C1C=CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)=C2	REAL300001321446	1	53	0.0	-51.82	406.17	12.06	-39.76
CC(C)C1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001321546	0	46	0.0	-46.20	339.62	8.98	-37.22
CC(C)C1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001321546	1	46	0.0	-48.98	341.75	9.44	-39.54
COC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001321634	0	47	0.0	-51.62	361.50	7.47	-44.15
COC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001321634	1	47	0.0	-48.50	359.59	7.03	-41.47
CC(CCC1=CC=CC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001321724	0	49	0.0	-48.91	378.80	9.96	-38.95
CC(CCC1=CC=CC=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001321724	1	49	0.0	-48.86	373.31	9.99	-38.87
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300001321834	0	48	0.0	-50.49	373.12	10.16	-40.33
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300001321834	1	48	0.0	-53.09	378.60	10.15	-42.94
CC(=O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001321969	1	42	0.0	-52.73	331.52	7.69	-45.04
CC(=O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001321969	1	42	0.0	-60.45	326.07	7.72	-52.73
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(Br)C=C2F)C1	REAL300001322127	1	37	0.0	-46.55	311.72	8.06	-38.49
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(Br)C=C2F)C1	REAL300001322127	1	37	0.0	-47.73	310.06	7.62	-40.11
CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300001322257	0	40	0.0	-51.18	329.71	8.48	-42.70
CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300001322257	1	40	0.0	-50.46	323.98	8.52	-41.94
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2Cl)C1	REAL300001322352	0	40	0.0	-47.53	331.09	7.88	-39.65
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2Cl)C1	REAL300001322352	1	40	0.0	-45.35	324.89	7.86	-37.49
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(Cl)=C2)C1	REAL300001322426	0	40	0.0	-48.97	333.44	7.93	-41.04
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(Cl)=C2)C1	REAL300001322426	1	40	0.0	-46.84	327.22	7.91	-38.93
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001322574	0	45	0.0	-53.99	348.70	6.50	-47.49
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001322574	1	45	0.0	-53.45	343.49	6.51	-46.94
NS(=O)(=O)C1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001322687	0	48	0.0	-59.37	386.22	3.13	-56.24
NS(=O)(=O)C1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001322687	1	48	0.0	-55.92	384.27	2.69	-53.23
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(F)C(Cl)=C2)C1	REAL300001322786	1	37	0.0	-51.11	307.34	7.88	-43.23
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(F)C(Cl)=C2)C1	REAL300001322786	1	37	0.0	-52.97	312.85	7.85	-45.12
COC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(OC)=C1	REAL300001322886	1	45	0.0	-52.24	349.99	5.89	-46.35
COC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(OC)=C1	REAL300001322886	1	45	0.0	-49.12	342.23	5.46	-43.66
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(Cl)C=C2F)C1	REAL300001323057	1	37	0.0	-46.45	307.16	7.95	-38.50
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(Cl)C=C2F)C1	REAL300001323057	1	37	0.0	-47.73	305.50	7.52	-40.21
CC(C)CC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001323265	0	55	0.0	-47.44	414.70	10.94	-36.50
CC(C)CC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001323265	1	55	0.0	-46.76	409.24	10.97	-35.79
CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001323398	0	46	0.0	-49.35	372.43	10.48	-38.87
CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001323398	1	46	0.0	-46.85	365.27	10.02	-36.83
CN(CC1COC2=CC=CC=C2O1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001323544	0	49	0.0	-51.23	371.46	8.77	-42.46
CN(CC1COC2=CC=CC=C2O1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001323544	1	49	0.0	-47.87	369.07	8.70	-39.17
COC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C(OC)C=C1Cl	REAL300001323664	1	45	0.0	-51.56	363.48	6.57	-44.99
COC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C(OC)C=C1Cl	REAL300001323664	1	45	0.0	-48.95	358.81	6.58	-42.37
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC=CC=C3)CC2)C1	REAL300001323786	0	51	0.0	-51.51	378.34	8.70	-42.81
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC=CC=C3)CC2)C1	REAL300001323786	1	51	0.0	-54.20	385.76	9.15	-45.05
CN(CC1=CC=CC(Cl)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001323906	0	43	0.0	-47.93	349.99	9.99	-37.94
CN(CC1=CC=CC(Cl)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001323906	1	43	0.0	-48.09	351.15	10.02	-38.07
CN(CCOC1=CC=C(Cl)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001324024	0	47	0.0	-47.55	378.57	9.68	-37.87
CN(CCOC1=CC=C(Cl)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001324024	1	47	0.0	-48.58	380.41	9.65	-38.93
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1Cl	REAL300001324158	0	43	0.0	-51.30	358.02	9.28	-42.02
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1Cl	REAL300001324158	1	43	0.0	-50.25	358.02	9.25	-41.00
CCCOC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001324266	1	47	0.0	-45.50	355.01	8.03	-37.47
CCCOC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001324266	1	47	0.0	-46.35	356.66	8.47	-37.88
CCN(CC)C(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001324380	0	53	0.0	-59.53	397.31	9.12	-50.41
CCN(CC)C(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001324380	1	53	0.0	-59.80	400.27	8.96	-50.84
CC(C)N(CC(=O)NC1=CC=C(F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001324517	0	53	0.0	-49.25	400.45	8.98	-40.27
CC(C)N(CC(=O)NC1=CC=C(F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001324517	1	53	0.0	-53.59	402.26	9.68	-43.91
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=CC=C2)C1	REAL300001324590	0	44	0.0	-48.91	346.60	7.04	-41.87
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=CC=C2)C1	REAL300001324590	1	44	0.0	-48.66	345.96	7.02	-41.64
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2C(=O)N2CCCC2)C1	REAL300001324688	1	51	0.0	-46.24	380.87	8.72	-37.52
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2C(=O)N2CCCC2)C1	REAL300001324688	1	51	0.0	-47.61	379.04	8.35	-39.26
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2N2CCCC2)C1	REAL300001324794	0	49	0.0	-47.20	355.82	8.34	-38.86
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2N2CCCC2)C1	REAL300001324794	1	49	0.0	-47.97	361.68	8.30	-39.67
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2C=C1	REAL300001324900	0	46	0.0	-46.88	352.02	10.83	-36.05
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2C=C1	REAL300001324900	1	46	0.0	-50.82	352.83	11.30	-39.52
CN(C)C(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001325052	0	47	0.0	-60.45	357.47	7.22	-53.23
CN(C)C(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001325052	1	47	0.0	-59.02	360.98	7.15	-51.87
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2C(=O)N2CCCCC2)C1	REAL300001325195	1	54	0.0	-45.95	396.53	9.55	-36.40
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2C(=O)N2CCCCC2)C1	REAL300001325195	1	54	0.0	-47.91	398.40	9.08	-38.83
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2C(=O)NC2CC2)C1	REAL300001325372	1	48	0.0	-47.03	369.16	7.83	-39.20
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2C(=O)NC2CC2)C1	REAL300001325372	1	48	0.0	-46.75	366.14	7.29	-39.46
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCSC3=CC=CC=C32)C1	REAL300001325489	0	45	0.0	-51.90	349.91	8.85	-43.05
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCSC3=CC=CC=C32)C1	REAL300001325489	1	45	0.0	-51.07	349.07	8.84	-42.23
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(C(F)(F)F)=CNC2=O)C1	REAL300001325614	0	40	0.0	-53.33	329.28	6.30	-47.03
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(C(F)(F)F)=CNC2=O)C1	REAL300001325614	1	40	0.0	-54.46	334.77	6.26	-48.20
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300001325734	0	43	0.0	-49.58	350.26	8.76	-40.82
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300001325734	1	43	0.0	-50.73	351.43	8.79	-41.94
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC2=CC=CC=C2N1	REAL300001325878	0	46	0.0	-48.92	355.48	6.61	-42.31
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC2=CC=CC=C2N1	REAL300001325878	1	46	0.0	-47.93	356.32	7.07	-40.86
O=C([O-])C1CCC[N@H+](CC(=O)N(C2CC2)C2CCS(=O)(=O)C2)C1	REAL300001325990	0	47	0.0	-53.99	352.11	5.23	-48.76
O=C([O-])C1CCC[N@@H+](CC(=O)N(C2CC2)C2CCS(=O)(=O)C2)C1	REAL300001325990	1	47	0.0	-57.99	350.53	5.40	-52.59
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CS2)C2=CC=CC=C2)C1	REAL300001326114	0	47	0.0	-48.60	383.87	10.44	-38.16
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CS2)C2=CC=CC=C2)C1	REAL300001326114	1	47	0.0	-45.90	376.95	9.99	-35.91
COC1=CC2=CC=C(CN(C)C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2C=C1	REAL300001326234	0	53	0.0	-50.44	408.46	11.03	-39.41
COC1=CC2=CC=C(CN(C)C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2C=C1	REAL300001326234	1	53	0.0	-47.57	401.47	10.55	-37.02
CN1C2=CC=CC=C2N=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001326357	0	46	0.0	-50.00	357.76	7.73	-42.27
CN1C2=CC=CC=C2N=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001326357	1	46	0.0	-53.61	363.11	7.74	-45.87
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CS2)C2=CC=C(F)C=C2)C1	REAL300001326467	0	47	0.0	-51.00	390.32	10.51	-40.49
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CS2)C2=CC=C(F)C=C2)C1	REAL300001326467	1	47	0.0	-47.90	383.34	10.06	-37.84
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C(=O)NC3=CC=CC=C3)CC2)C1	REAL300001326580	0	54	0.0	-52.67	400.59	8.94	-43.73
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C(=O)NC3=CC=CC=C3)CC2)C1	REAL300001326580	1	54	0.0	-56.06	407.27	9.39	-46.67
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NN=C2C=CC=CN21	REAL300001326772	0	45	0.0	-50.98	351.49	8.43	-42.55
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NN=C2C=CC=CN21	REAL300001326772	1	45	0.0	-51.04	351.53	8.44	-42.60
COC1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1	REAL300001326887	0	51	0.0	-47.48	381.71	8.58	-38.90
COC1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1	REAL300001326887	1	51	0.0	-49.57	382.52	9.01	-40.56
CN(CC1=NC(=O)C2=C(C=CS2)N1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001327065	0	45	0.0	-57.20	364.05	6.77	-50.43
CN(CC1=NC(=O)C2=C(C=CS2)N1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001327065	1	45	0.0	-61.41	362.40	6.33	-55.08
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C(=O)C3=CC=CC=C3)CC2)C1	REAL300001327197	0	52	0.0	-51.06	386.86	10.41	-40.65
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C(=O)C3=CC=CC=C3)CC2)C1	REAL300001327197	1	52	0.0	-55.11	394.33	10.87	-44.24
CN1C=NN=C1C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001327374	0	46	0.0	-61.06	360.55	9.84	-51.22
CN1C=NN=C1C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001327374	1	46	0.0	-66.59	355.07	9.86	-56.73
NS(=O)(=O)C1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001327504	0	45	0.0	-53.14	364.74	2.35	-50.79
NS(=O)(=O)C1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001327504	1	45	0.0	-56.36	370.87	2.37	-53.99
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC3=C2C=NN3CC2=CC=CC=C2)C1	REAL300001327621	0	57	0.0	-53.69	434.76	10.54	-43.15
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC3=C2C=NN3CC2=CC=CC=C2)C1	REAL300001327621	1	57	0.0	-52.48	435.59	10.57	-41.91
CCN1C=NN=C1C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001327765	0	49	0.0	-60.47	378.91	10.63	-49.84
CCN1C=NN=C1C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001327765	1	49	0.0	-66.52	373.60	10.64	-55.88
CCOC1=C(Cl)C=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001327893	0	51	0.0	-51.57	411.06	8.19	-43.38
CCOC1=C(Cl)C=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001327893	1	51	0.0	-52.94	417.27	8.21	-44.73
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3C=NC=N3)C(F)=C2)C1	REAL300001328015	1	43	0.0	-57.30	341.41	9.76	-47.54
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3C=NC=N3)C(F)=C2)C1	REAL300001328015	1	43	0.0	-57.93	346.63	9.76	-48.17
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(Br)=CS2)C1	REAL300001328147	0	37	0.0	-48.57	328.40	7.14	-41.43
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(Br)=CS2)C1	REAL300001328147	1	37	0.0	-47.01	322.20	7.12	-39.89
CN(CC1=CC(Br)=CS1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001328276	0	40	0.0	-46.10	340.33	9.24	-36.86
CN(CC1=CC(Br)=CS1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001328276	1	40	0.0	-47.84	346.50	9.22	-38.62
CCC1C2=C(CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)SC=C2	REAL300001328492	0	47	0.0	-48.96	344.53	9.77	-39.19
CCC1C2=C(CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)SC=C2	REAL300001328492	1	47	0.0	-48.88	349.87	9.77	-39.11
CN(CCCOC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001328606	0	50	0.0	-49.27	386.38	9.85	-39.42
CN(CCCOC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001328606	1	50	0.0	-50.39	386.00	9.85	-40.54
COC1=CC=CC=C1OCCN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001328731	0	51	0.0	-49.05	391.84	9.39	-39.66
COC1=CC=CC=C1OCCN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001328731	1	51	0.0	-48.78	392.92	9.02	-39.76
CCN(CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001328859	0	55	0.0	-53.79	396.62	8.35	-45.44
CCN(CC)C(=O)N1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001328859	1	55	0.0	-51.90	387.76	7.80	-44.10
CC(C)C(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001328988	0	52	0.0	-46.57	391.16	9.82	-36.75
CC(C)C(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001328988	1	52	0.0	-47.09	391.61	9.80	-37.29
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OCC3=CC=CC=C3)CC2)C1	REAL300001329207	0	54	0.0	-46.33	401.25	10.06	-36.27
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OCC3=CC=CC=C3)CC2)C1	REAL300001329207	1	54	0.0	-49.71	408.75	10.53	-39.18
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300001329336	0	49	0.0	-51.93	378.03	7.41	-44.52
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300001329336	1	49	0.0	-52.90	379.22	7.43	-45.47
CCOC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OCC	REAL300001329464	0	57	0.0	-52.93	435.99	9.29	-43.64
CCOC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OCC	REAL300001329464	1	57	0.0	-53.67	437.14	9.33	-44.34
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300001329574	0	56	0.0	-48.02	425.63	12.12	-35.90
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300001329574	1	56	0.0	-47.49	420.18	12.15	-35.34
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(COC3=CC=CC(F)=C3)=C2)C1	REAL300001329712	0	51	0.0	-51.75	402.45	10.66	-41.09
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(COC3=CC=CC(F)=C3)=C2)C1	REAL300001329712	1	51	0.0	-52.48	407.93	10.64	-41.84
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300001329834	0	51	0.0	-50.50	405.45	10.27	-40.23
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300001329834	1	51	0.0	-49.51	400.91	10.33	-39.18
CN(CC(=O)NC1=CC=CC(Cl)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001329961	0	47	0.0	-50.91	384.88	8.63	-42.28
CN(CC(=O)NC1=CC=CC(Cl)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001329961	1	47	0.0	-53.03	386.03	8.66	-44.37
CCCS(=O)(=O)NC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001330147	0	54	0.0	-55.32	413.28	5.18	-50.14
CCCS(=O)(=O)NC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001330147	1	54	0.0	-54.13	403.54	4.62	-49.51
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(N3CCC(CO)CC3)C=C2)C1	REAL300001330267	0	59	0.0	-48.73	435.08	5.97	-42.76
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(N3CCC(CO)CC3)C=C2)C1	REAL300001330267	1	59	0.0	-47.11	433.18	5.52	-41.59
CC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CCCCC12	REAL300001330396	0	53	0.0	-46.32	361.44	10.22	-36.10
CC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CCCCC12	REAL300001330396	1	53	0.0	-45.89	367.56	10.24	-35.65
CN1C=NN=C1C1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001330497	0	46	0.0	-50.88	355.01	9.79	-41.09
CN1C=NN=C1C1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001330497	1	46	0.0	-47.46	357.79	10.02	-37.44
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CSC3=CC=CC=C23)C1	REAL300001330655	0	46	0.0	-52.44	374.56	9.54	-42.90
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CSC3=CC=CC=C23)C1	REAL300001330655	1	46	0.0	-52.37	368.35	9.52	-42.85
CCCCOC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001330866	0	60	0.0	-52.73	457.14	9.95	-42.78
CCCCOC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001330866	1	60	0.0	-53.16	458.31	9.98	-43.18
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C3=NC=CS3)C=C2)C1	REAL300001331016	0	43	0.0	-54.06	355.35	8.17	-45.89
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C3=NC=CS3)C=C2)C1	REAL300001331016	1	43	0.0	-54.73	349.00	8.21	-46.52
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCCN1N=C2CCCCN2C1=O	REAL300001331333	0	53	0.0	-55.80	409.84	8.07	-47.73
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCCN1N=C2CCCCN2C1=O	REAL300001331333	1	53	0.0	-55.51	409.20	8.05	-47.46
CN(CCCC1=CC(C2=CC=CC=C2)=NN1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001331458	0	56	0.0	-52.98	436.57	10.94	-42.04
CN(CCCC1=CC(C2=CC=CC=C2)=NN1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001331458	1	56	0.0	-54.21	436.93	10.94	-43.27
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=CC(C(F)(F)F)=C2)C1	REAL300001331580	0	47	0.0	-51.20	385.66	8.05	-43.15
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=CC(C(F)(F)F)=C2)C1	REAL300001331580	1	47	0.0	-51.12	385.77	8.03	-43.09
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=C(C(F)(F)F)C=C2)C1	REAL300001331706	0	47	0.0	-51.13	385.32	8.04	-43.09
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=C(C(F)(F)F)C=C2)C1	REAL300001331706	1	47	0.0	-50.86	384.68	8.02	-42.84
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C(OCC2CCCO2)C=C1	REAL300001331884	0	52	0.0	-54.73	399.60	7.88	-46.85
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C(OCC2CCCO2)C=C1	REAL300001331884	1	52	0.0	-53.90	399.18	7.99	-45.91
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CC3=CC=CC(F)=C3)CC2)C1	REAL300001332134	0	53	0.0	-45.65	391.62	11.32	-34.33
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CC3=CC=CC(F)=C3)CC2)C1	REAL300001332134	1	53	0.0	-48.01	399.09	11.78	-36.23
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(OCCN3C=NC=N3)=C2)C1	REAL300001332263	0	50	0.0	-57.09	393.26	10.00	-47.09
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(OCCN3C=NC=N3)=C2)C1	REAL300001332263	1	50	0.0	-56.37	398.45	10.00	-46.37
NC(=O)C1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300001332379	1	41	0.0	-63.23	329.05	4.17	-59.06
NC(=O)C1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300001332379	1	41	0.0	-62.18	323.83	4.18	-58.00
O=C([O-])C1CCC[N@H+](CC(=O)NCCNC2=NC=CC(C(F)(F)F)=N2)C1	REAL300001332499	0	46	0.0	-50.83	376.01	6.73	-44.10
O=C([O-])C1CCC[N@@H+](CC(=O)NCCNC2=NC=CC(C(F)(F)F)=N2)C1	REAL300001332499	1	46	0.0	-53.58	377.92	7.18	-46.40
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(Br)=CC=C2F)C1	REAL300001332628	1	37	0.0	-48.05	311.69	8.06	-39.99
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(Br)=CC=C2F)C1	REAL300001332628	1	37	0.0	-49.18	316.34	8.04	-41.14
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(F)=CC=C2Br)C1	REAL300001332751	0	40	0.0	-48.21	341.33	8.10	-40.11
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(F)=CC=C2Br)C1	REAL300001332751	1	40	0.0	-46.96	335.38	7.97	-38.99
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(Cl)C(F)=C2)C1	REAL300001332839	1	37	0.0	-51.05	307.34	7.88	-43.17
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(Cl)C(F)=C2)C1	REAL300001332839	1	37	0.0	-53.06	312.84	7.85	-45.21
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(F)C(Br)=C2)C1	REAL300001332953	1	37	0.0	-50.92	311.76	7.97	-42.95
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(F)C(Br)=C2)C1	REAL300001332953	1	37	0.0	-52.88	317.26	7.95	-44.93
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300001333072	0	42	0.0	-53.68	336.80	7.63	-46.05
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300001333072	1	42	0.0	-53.56	338.71	8.07	-45.49
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(CN3C=NC=N3)C=C2)C1	REAL300001333193	0	46	0.0	-57.11	369.43	10.38	-46.73
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(CN3C=NC=N3)C=C2)C1	REAL300001333193	1	46	0.0	-54.67	363.07	10.42	-44.25
CCOC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001333283	0	44	0.0	-51.55	341.31	7.53	-44.02
CCOC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001333283	1	44	0.0	-53.75	336.11	7.53	-46.22
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3OCOC3=C2)C1	REAL300001333408	1	40	0.0	-56.53	310.84	5.96	-50.57
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3OCOC3=C2)C1	REAL300001333408	1	40	0.0	-51.83	310.03	5.51	-46.32
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(SC(F)F)C=C2)C1	REAL300001333516	0	41	0.0	-52.76	340.71	8.56	-44.20
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(SC(F)F)C=C2)C1	REAL300001333516	1	41	0.0	-53.46	334.36	8.58	-44.88
CC(=O)NC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001333625	0	44	0.0	-55.00	347.16	6.19	-48.81
CC(=O)NC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001333625	1	44	0.0	-58.01	347.09	6.19	-51.82
CC1=CC(C)=NC(NNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001333749	1	43	0.0	-50.81	342.32	7.86	-42.95
CC1=CC(C)=NC(NNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001333749	1	43	0.0	-50.96	336.84	7.88	-43.08
CC1=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(=O)N(C2=CC=CC=C2)N1C	REAL300001333859	0	51	0.0	-57.46	394.83	8.98	-48.48
CC1=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(=O)N(C2=CC=CC=C2)N1C	REAL300001333859	1	51	0.0	-70.11	395.54	9.07	-61.04
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3OCCOC3=C2)C1	REAL300001333971	0	43	0.0	-55.41	329.29	6.46	-48.95
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3OCCOC3=C2)C1	REAL300001333971	1	43	0.0	-52.77	334.49	6.44	-46.33
CC1=CC=C(C(N)=O)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001334070	1	44	0.0	-56.36	342.24	4.92	-51.44
CC1=CC=C(C(N)=O)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001334070	1	44	0.0	-62.18	336.75	4.95	-57.23
CC1CCN(C(=O)C2=CC=CC=C2NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001334175	1	57	0.0	-47.86	419.04	9.66	-38.20
CC1CCN(C(=O)C2=CC=CC=C2NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001334175	1	57	0.0	-45.52	417.24	10.13	-35.39
CCCNC(=O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001334390	0	50	0.0	-53.97	389.69	7.18	-46.79
CCCNC(=O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001334390	1	50	0.0	-62.76	384.23	7.20	-55.56
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C(=O)N3CCOCC3)=C2)C1	REAL300001334520	0	52	0.0	-63.40	388.34	6.76	-56.64
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C(=O)N3CCOCC3)=C2)C1	REAL300001334520	1	52	0.0	-58.31	394.90	6.73	-51.58
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300001334646	0	52	0.0	-60.36	395.63	6.79	-53.57
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C(=O)N3CCOCC3)C=C2)C1	REAL300001334646	1	52	0.0	-58.13	394.44	6.76	-51.37
CCN(CC)C(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001334758	1	53	0.0	-58.32	423.50	9.69	-48.63
CCN(CC)C(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001334758	1	53	0.0	-62.57	418.10	9.72	-52.85
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(OCC(F)(F)F)=C2)C1	REAL300001334869	0	47	0.0	-51.08	387.64	8.11	-42.97
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(OCC(F)(F)F)=C2)C1	REAL300001334869	1	47	0.0	-49.16	381.43	8.09	-41.07
CC1CCCCN1C(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001335061	0	57	0.0	-53.31	412.11	9.87	-43.44
CC1CCCCN1C(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001335061	1	57	0.0	-58.72	419.73	9.82	-48.90
CN(C1=CC=CC=C1)C1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001335172	0	52	0.0	-46.04	395.32	11.15	-34.89
CN(C1=CC=CC=C1)C1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001335172	1	52	0.0	-46.18	395.80	11.59	-34.59
NC(=O)CNC(=O)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001335287	0	51	0.0	-54.88	404.01	2.70	-52.18
NC(=O)CNC(=O)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001335287	1	51	0.0	-57.04	410.21	2.72	-54.32
COC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1NC(C)=O	REAL300001335500	0	48	0.0	-57.54	374.41	5.61	-51.93
COC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1NC(C)=O	REAL300001335500	1	48	0.0	-59.00	369.45	5.63	-53.37
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3CCNC(=O)C3)C(Cl)=C2)C1	REAL300001335618	0	50	0.0	-54.30	382.89	4.61	-49.69
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3CCNC(=O)C3)C(Cl)=C2)C1	REAL300001335618	1	50	0.0	-57.05	399.76	5.55	-51.50
CCNC(=O)COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001335731	0	51	0.0	-56.83	396.06	7.01	-49.82
CCNC(=O)COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001335731	1	51	0.0	-61.50	402.41	6.98	-54.52
CN(C)C(=O)COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001335861	0	51	0.0	-61.49	398.51	8.13	-53.36
CN(C)C(=O)COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001335861	1	51	0.0	-62.32	398.69	8.13	-54.19
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001336027	1	51	0.0	-56.01	395.80	8.12	-47.89
CC1=CC=C(C(=O)NC2CC2)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001336027	1	51	0.0	-62.20	390.30	8.14	-54.06
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C(=O)NC3CCCC3)C=C2)C1	REAL300001336157	0	54	0.0	-57.58	412.49	8.62	-48.96
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C(=O)NC3CCCC3)C=C2)C1	REAL300001336157	1	54	0.0	-53.93	406.42	8.63	-45.30
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1=CC=CC(OCC2CCCO2)=C1	REAL300001336285	0	52	0.0	-57.38	393.08	7.92	-49.46
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1=CC=CC(OCC2CCCO2)=C1	REAL300001336285	1	52	0.0	-51.98	398.27	7.92	-44.06
CCN(CC)C(=O)COC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001336405	0	57	0.0	-60.16	439.51	10.06	-50.10
CCN(CC)C(=O)COC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001336405	1	57	0.0	-55.38	434.04	10.09	-45.29
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(OCC(=O)N3CCCC3)=C2)C1	REAL300001336516	0	55	0.0	-56.13	420.34	9.44	-46.69
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(OCC(=O)N3CCCC3)=C2)C1	REAL300001336516	1	55	0.0	-60.70	425.54	9.44	-51.26
CN(C)C(=O)COC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001336635	0	51	0.0	-60.79	397.36	8.14	-52.65
CN(C)C(=O)COC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001336635	1	51	0.0	-56.11	392.91	8.18	-47.93
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C1	REAL300001336760	0	51	0.0	-55.16	402.43	10.66	-44.50
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C1	REAL300001336760	1	51	0.0	-53.23	407.63	10.66	-42.57
CNC(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001336880	1	47	0.0	-55.33	357.77	6.00	-49.33
CNC(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001336880	1	47	0.0	-55.12	358.56	6.45	-48.67
CNC(=O)C1=CC=C(OC)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001336994	1	48	0.0	-55.12	375.14	5.03	-50.09
CNC(=O)C1=CC=C(OC)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001336994	1	48	0.0	-59.58	369.65	5.05	-54.53
CNC(=O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001337111	1	47	0.0	-53.96	358.30	6.44	-47.52
CNC(=O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001337111	1	47	0.0	-51.52	353.88	6.52	-45.00
CNC(=O)CC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001337224	0	47	0.0	-51.53	361.87	6.02	-45.51
CNC(=O)CC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001337224	1	47	0.0	-53.14	362.68	6.47	-46.67
CNC(=O)CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001337338	0	47	0.0	-56.24	365.64	6.29	-49.95
CNC(=O)CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001337338	1	47	0.0	-56.18	371.99	6.26	-49.92
CNC(=O)C1=CC=C(C)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001337451	1	47	0.0	-57.33	364.17	6.42	-50.91
CNC(=O)C1=CC=C(C)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001337451	1	47	0.0	-62.66	358.69	6.45	-56.21
CCNC(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001337565	0	47	0.0	-54.26	362.40	6.45	-47.81
CCNC(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001337565	1	47	0.0	-58.05	368.74	6.43	-51.62
CCCCNC(=O)C1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001337689	0	56	0.0	-52.92	415.76	8.01	-44.91
CCCCNC(=O)C1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001337689	1	56	0.0	-49.15	409.12	7.57	-41.58
CC1=NC(C2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=NN1	REAL300001337821	0	46	0.0	-56.88	361.64	8.05	-48.83
CC1=NC(C2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=NN1	REAL300001337821	1	46	0.0	-57.74	368.01	8.02	-49.72
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300001337982	0	49	0.0	-51.31	398.41	10.21	-41.10
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C(Cl)=C1	REAL300001337982	1	49	0.0	-48.27	390.19	9.76	-38.51
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C(=O)NC3CC3)C2)C1	REAL300001338101	0	51	0.0	-49.55	376.26	6.91	-42.64
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C(=O)NC3CC3)C2)C1	REAL300001338101	1	51	0.0	-53.63	382.97	7.36	-46.27
CCCNC(=O)C1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001338343	0	53	0.0	-53.06	394.26	7.24	-45.82
CCCNC(=O)C1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001338343	1	53	0.0	-49.34	387.63	6.79	-42.55
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300001338469	0	57	0.0	-51.49	425.49	10.90	-40.59
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300001338469	1	57	0.0	-50.06	419.14	10.94	-39.12
C=CCC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300001338593	0	55	0.0	-50.61	426.48	8.69	-41.92
C=CCC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300001338593	1	55	0.0	-51.92	431.47	8.66	-43.26
COCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCC1	REAL300001338673	0	50	0.0	-40.99	355.92	7.76	-33.23
COCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCC1	REAL300001338673	1	50	0.0	-42.30	350.86	7.78	-34.52
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3NC(C4CCC4)=NC3=C2)C1	REAL300001338779	0	50	0.0	-51.78	378.04	8.84	-42.94
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3NC(C4CCC4)=NC3=C2)C1	REAL300001338779	1	50	0.0	-52.65	377.26	8.39	-44.26
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3N=C(C4CCC4)NC3=C2)C1	REAL300001338779	1	50	0.0	-54.84	377.70	8.87	-45.97
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3N=C(C4CCC4)NC3=C2)C1	REAL300001338779	1	50	0.0	-52.76	377.18	8.39	-44.37
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=COC(C3=CC=CC=C3)=N2)C1	REAL300001338913	0	49	0.0	-54.55	394.82	6.60	-47.95
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=COC(C3=CC=CC=C3)=N2)C1	REAL300001338913	1	49	0.0	-56.00	388.61	6.58	-49.42
CC1=CC=C(CC2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300001339047	0	56	0.0	-47.49	414.10	12.38	-35.11
CC1=CC=C(CC2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300001339047	1	56	0.0	-44.34	406.64	11.92	-32.42
CC(C)CC1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1	REAL300001339225	0	59	0.0	-45.04	433.37	11.96	-33.08
CC(C)CC1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1	REAL300001339225	1	59	0.0	-47.17	434.17	12.39	-34.78
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCS(=O)(=O)N1CCOCC1	REAL300001339341	0	49	0.0	-56.92	379.44	1.54	-55.38
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCS(=O)(=O)N1CCOCC1	REAL300001339341	1	49	0.0	-61.36	381.35	2.00	-59.36
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=NC(C4=CC=CC=C4)=NN3)CC2)C1	REAL300001339491	0	56	0.0	-52.44	421.97	10.46	-41.98
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=NC(C4=CC=CC=C4)=NN3)CC2)C1	REAL300001339491	1	56	0.0	-55.99	429.49	10.90	-45.09
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=NN=C(C4=CC=CC=C4)N3)CC2)C1	REAL300001339491	1	56	0.0	-54.28	420.63	10.82	-43.46
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=NN=C(C4=CC=CC=C4)N3)CC2)C1	REAL300001339491	1	56	0.0	-58.13	428.11	11.28	-46.85
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3CCC4=C(C=CS4)C3)C=C2)C1	REAL300001339586	0	53	0.0	-51.18	406.83	9.27	-41.91
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3CCC4=C(C=CS4)C3)C=C2)C1	REAL300001339586	1	53	0.0	-49.42	400.59	9.33	-40.09
CS(=O)(=O)CCOC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001339809	0	50	0.0	-61.23	404.94	5.09	-56.14
CS(=O)(=O)CCOC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001339809	1	50	0.0	-60.49	399.47	5.11	-55.38
CCN(CCC(F)(F)F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001340003	0	42	0.0	-49.04	333.85	8.53	-40.51
CCN(CCC(F)(F)F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001340003	1	42	0.0	-48.42	328.37	8.56	-39.86
COC1=CC2=C(C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=C2C=CC=C1	REAL300001340290	1	50	0.0	-51.03	385.81	8.99	-42.04
COC1=CC2=C(C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=C2C=CC=C1	REAL300001340290	1	50	0.0	-54.98	386.62	9.43	-45.55
COC1=CC=C(C)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001340353	1	44	0.0	-47.64	340.19	7.39	-40.25
COC1=CC=C(C)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001340353	1	44	0.0	-47.31	333.89	7.42	-39.89
COC1=CC=C(OC)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001340437	1	45	0.0	-49.87	347.42	6.00	-43.87
COC1=CC=C(OC)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001340437	1	45	0.0	-50.51	342.77	6.02	-44.49
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CNC3=CC=CC=C23)C1	REAL300001340606	0	47	0.0	-48.94	362.00	7.78	-41.16
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CNC3=CC=CC=C23)C1	REAL300001340606	1	47	0.0	-51.88	363.91	8.23	-43.65
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC3=CC=CC=C32)C1	REAL300001340700	0	47	0.0	-47.27	343.29	9.09	-38.18
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC3=CC=CC=C32)C1	REAL300001340700	1	47	0.0	-48.23	348.88	9.07	-39.16
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC3=C2CCCC3)C1	REAL300001340816	0	47	0.0	-49.72	343.65	9.98	-39.74
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC3=C2CCCC3)C1	REAL300001340816	1	47	0.0	-46.89	342.83	9.54	-37.35
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(Cl)C=C2)C1	REAL300001340922	0	43	0.0	-47.90	346.82	8.25	-39.65
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(Cl)C=C2)C1	REAL300001340922	1	43	0.0	-51.01	348.73	8.69	-42.32
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(Cl)C=C2Cl)C1	REAL300001341072	0	40	0.0	-48.86	347.82	8.39	-40.47
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(Cl)C=C2Cl)C1	REAL300001341072	1	40	0.0	-47.90	341.65	8.33	-39.57
CSC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001341158	1	41	0.0	-45.75	321.05	8.01	-37.74
CSC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001341158	1	41	0.0	-46.55	322.80	8.48	-38.07
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC2=CC=CC=C2)C1	REAL300001341258	0	46	0.0	-49.07	359.70	8.97	-40.10
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC2=CC=CC=C2)C1	REAL300001341258	1	46	0.0	-48.52	359.06	8.95	-39.57
COC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001341362	0	48	0.0	-50.67	369.24	6.60	-44.07
COC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001341362	1	48	0.0	-52.83	375.45	6.62	-46.21
CC(C)(CNC(=O)C1=CC=C(C(=O)[O-])C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001341484	0	50	0.0	-74.89	377.89	10.53	-64.36
CC(C)(CNC(=O)C1=CC=C(C(=O)[O-])C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001341484	1	50	0.0	-74.31	377.58	10.65	-63.66
CC(C)(CNC(=O)C1=CC=CC(OCC(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001341485	0	54	0.0	-82.61	408.90	10.82	-71.79
CC(C)(CNC(=O)C1=CC=CC(OCC(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001341485	1	54	0.0	-81.31	408.67	10.91	-70.40
CC(C)(CNC(=O)C1=CC=CC(C(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001341486	0	50	0.0	-85.20	377.82	10.55	-74.65
CC(C)(CNC(=O)C1=CC=CC(C(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001341486	1	50	0.0	-83.80	377.60	10.63	-73.17
CC(C)(CNC(=O)C1=CC=C(C(=O)[O-])S1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001341487	0	47	0.0	-65.48	372.19	9.69	-55.79
CC(C)(CNC(=O)C1=CC=C(C(=O)[O-])S1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001341487	1	47	0.0	-65.09	371.87	9.80	-55.29
CC(C)(CNC(=O)C1=CC=CC(C(=O)[O-])=N1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001341488	0	49	0.0	-55.33	375.96	8.81	-46.52
CC(C)(CNC(=O)C1=CC=CC(C(=O)[O-])=N1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001341488	1	49	0.0	-55.61	375.53	8.89	-46.72
CC(C)(CNC(=O)CCC1=CC=C(C(=O)[O-])C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001341489	0	56	0.0	-79.16	423.91	12.02	-67.14
CC(C)(CNC(=O)CCC1=CC=C(C(=O)[O-])C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001341489	1	56	0.0	-78.90	423.66	12.12	-66.78
CC(C)(CNC(=O)C1=CC=NC(C(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001341490	0	49	0.0	-87.98	373.91	8.78	-79.20
CC(C)(CNC(=O)C1=CC=NC(C(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001341490	1	49	0.0	-86.66	373.68	8.87	-77.79
CC(C)(CNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001341491	0	54	0.0	-79.34	412.42	11.71	-67.63
CC(C)(CNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001341491	1	54	0.0	-79.00	412.11	11.82	-67.18
CC(C)(CNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001341492	0	52	0.0	-59.10	405.98	11.22	-47.88
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O=C([O-])C1=COC2=C1NC(C(=O)NCCC[N@@H+]1CCC3=CC=CC=C3C1)=C2	REAL300001342628	0	48	0.0	-73.48	390.87	8.42	-65.06
O=C([O-])C1=COC2=C1NC(C(=O)NCCC[N@H+]1CCC3=CC=CC=C3C1)=C2	REAL300001342628	1	48	0.0	-73.49	390.86	8.42	-65.07
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CC1=C(C(=O)[O-])C=CC=C1C(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300001342629	1	50	0.0	-87.43	384.47	10.82	-76.61
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O=C([O-])C1=CC=C(C=CC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)C=N1	REAL300001342630	1	50	0.0	-86.05	404.63	9.69	-76.36
C=C1CCC1(C(=O)[O-])C(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300001342631	0	48	0.0	-61.60	374.56	9.73	-51.87
C=C1CCC1(C(=O)[O-])C(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300001342631	1	48	0.0	-61.94	374.52	9.74	-52.20
O=C([O-])C1=CSC(C(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)=C1	REAL300001342632	0	44	0.0	-85.33	367.55	9.28	-76.05
O=C([O-])C1=CSC(C(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)=C1	REAL300001342632	1	44	0.0	-85.37	367.55	9.28	-76.09
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300001342633	0	52	0.0	-69.93	394.75	8.38	-61.55
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O=C([O-])C1=CC=CC2=C(C(=O)NCCC[N@H+]3CCC4=CC=CC=C4C3)C=CC=C12	REAL300001342634	1	53	0.0	-87.74	410.33	12.33	-75.41
CC(C)[C@]1(C(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)C[C@H]1C(=O)[O-]	REAL300001342635	0	53	0.0	-59.42	401.17	10.58	-48.84
CC(C)[C@]1(C(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)C[C@H]1C(=O)[O-]	REAL300001342635	1	53	0.0	-80.91	402.32	10.44	-70.47
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300001342636	0	53	0.0	-91.98	415.71	11.41	-80.57
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300001342636	1	53	0.0	-91.94	415.70	11.40	-80.54
O=C([O-])C1=CSC(CC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)=C1	REAL300001342637	0	47	0.0	-87.40	390.55	10.08	-77.32
O=C([O-])C1=CSC(CC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)=C1	REAL300001342637	1	47	0.0	-87.41	390.56	10.08	-77.33
O=C([O-])C1=CC=C(CC(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)C=C1F	REAL300001342638	0	50	0.0	-93.47	403.54	10.97	-82.50
O=C([O-])C1=CC=C(CC(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)C=C1F	REAL300001342638	1	50	0.0	-93.43	403.55	10.97	-82.46
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300001342639	0	50	0.0	-72.27	380.97	9.80	-62.47
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300001342639	1	50	0.0	-77.70	380.43	9.89	-67.81
O=C([O-])C1=C2CCCCC2=C(C(=O)NCCC[N@@H+]2CCC3=CC=CC=C3C2)S1	REAL300001342640	0	54	0.0	-74.48	423.33	11.80	-62.68
O=C([O-])C1=C2CCCCC2=C(C(=O)NCCC[N@H+]2CCC3=CC=CC=C3C2)S1	REAL300001342640	1	54	0.0	-74.43	423.35	11.80	-62.63
O=C([O-])C12CCC(C(=O)NCCC[N@@H+]3CCC4=CC=CC=C4C3)(CC1)CC2	REAL300001342641	0	57	0.0	-82.63	417.91	11.16	-71.47
O=C([O-])C12CCC(C(=O)NCCC[N@H+]3CCC4=CC=CC=C4C3)(CC1)CC2	REAL300001342641	1	57	0.0	-82.63	417.90	11.16	-71.47
O=C([O-])C1CCC[N@H+](CC(=O)NC(CN2CCCC2=O)C2=CC=CC=C2)C1	REAL300001342720	0	54	0.0	-62.38	410.94	9.95	-52.43
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CN2CCCC2=O)C2=CC=CC=C2)C1	REAL300001342720	1	54	0.0	-59.17	416.43	9.91	-49.26
CN(CC1=CC=CC=C1)C(=O)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001342834	0	50	0.0	-47.49	386.61	7.97	-39.52
CN(CC1=CC=CC=C1)C(=O)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001342834	1	50	0.0	-50.71	392.86	7.99	-42.72
CC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300001342942	0	49	0.0	-47.84	372.00	9.46	-38.38
CC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300001342942	1	49	0.0	-48.55	373.85	9.51	-39.04
CCC(C)NC(=O)C1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001343096	0	56	0.0	-51.33	429.71	8.28	-43.05
CCC(C)NC(=O)C1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001343096	1	56	0.0	-53.53	435.93	8.30	-45.23
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)S1	REAL300001343218	0	40	0.0	-46.27	336.68	7.97	-38.30
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)S1	REAL300001343218	1	40	0.0	-45.83	336.74	7.97	-37.86
CC1=CC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C(C)S1	REAL300001343331	0	46	0.0	-45.79	356.93	8.29	-37.50
CC1=CC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C(C)S1	REAL300001343331	1	46	0.0	-47.17	357.18	8.72	-38.45
NC(=O)C1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001343430	0	44	0.0	-52.21	345.04	4.17	-48.04
NC(=O)C1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001343430	1	44	0.0	-54.41	351.25	4.20	-50.21
CN(C)C(=O)C1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001343549	0	50	0.0	-53.31	382.32	7.25	-46.06
CN(C)C(=O)C1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001343549	1	50	0.0	-55.25	388.86	7.28	-47.97
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(OC(F)F)=C1	REAL300001343679	0	47	0.0	-51.74	372.79	7.83	-43.91
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(OC(F)F)=C1	REAL300001343679	1	47	0.0	-52.75	373.95	7.85	-44.90
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC(F)F)C=C1	REAL300001343810	0	47	0.0	-50.71	372.77	7.84	-42.87
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC(F)F)C=C1	REAL300001343810	1	47	0.0	-50.24	367.30	7.87	-42.37
COC1=CC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300001343938	0	55	0.0	-55.22	425.46	7.38	-47.84
COC1=CC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(OC)=C1OC	REAL300001343938	1	55	0.0	-54.56	419.94	7.43	-47.13
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3=CN=CC=N3)C=C2)C1	REAL300001344062	0	46	0.0	-55.79	371.92	5.83	-49.96
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3=CN=CC=N3)C=C2)C1	REAL300001344062	1	46	0.0	-54.75	366.17	5.80	-48.95
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(OC3=CN=CC=N3)=C2)C1	REAL300001344193	0	46	0.0	-52.11	365.46	5.92	-46.19
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(OC3=CN=CC=N3)=C2)C1	REAL300001344193	1	46	0.0	-55.02	370.79	5.81	-49.21
CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1N1C=NN=N1	REAL300001344354	0	45	0.0	-59.71	359.56	8.44	-51.27
CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1N1C=NN=N1	REAL300001344354	1	45	0.0	-60.87	354.41	8.48	-52.39
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1N1C=NN=N1	REAL300001344485	0	45	0.0	-61.32	354.17	8.18	-53.14
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1N1C=NN=N1	REAL300001344485	1	45	0.0	-57.35	353.40	8.51	-48.84
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3=CC(Br)=CC=C32)C1	REAL300001344595	0	44	0.0	-51.97	349.29	10.48	-41.49
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3=CC(Br)=CC=C32)C1	REAL300001344595	1	44	0.0	-52.24	342.52	10.54	-41.70
CCCNS(=O)(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001344702	1	51	0.0	-57.37	403.66	5.12	-52.25
CCCNS(=O)(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001344702	1	51	0.0	-59.11	410.01	5.09	-54.02
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(S(=O)(=O)NCC3CC3)C=C2)C1	REAL300001344810	1	52	0.0	-58.86	419.99	5.88	-52.98
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(S(=O)(=O)NCC3CC3)C=C2)C1	REAL300001344810	1	52	0.0	-57.44	413.65	5.91	-51.53
CCCCCNC(=O)C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001344953	0	59	0.0	-55.34	438.17	8.84	-46.50
CCCCCNC(=O)C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001344953	1	59	0.0	-56.25	438.55	8.86	-47.39
CC1=CC(C)=NN1C1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001345109	0	56	0.0	-56.73	431.17	10.37	-46.36
CC1=CC(C)=NN1C1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001345109	1	56	0.0	-57.50	437.38	10.39	-47.11
COC1=CC=C(C(=O)C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001345227	0	56	0.0	-56.66	423.64	10.19	-46.47
COC1=CC=C(C(=O)C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001345227	1	56	0.0	-52.66	416.14	9.73	-42.93
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OCC2=CC=CC=C2)=C1	REAL300001345365	1	54	0.0	-46.28	414.83	10.96	-35.32
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OCC2=CC=CC=C2)=C1	REAL300001345365	1	54	0.0	-46.90	415.64	11.40	-35.50
CCOC1=CC(C)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001345455	1	47	0.0	-45.67	354.93	7.90	-37.77
CCOC1=CC(C)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001345455	1	47	0.0	-46.80	355.73	8.34	-38.46
CCCOC1=CC(C)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001345554	1	50	0.0	-45.35	377.24	8.69	-36.66
CCCOC1=CC(C)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001345554	1	50	0.0	-46.56	377.23	9.14	-37.42
COCCOC1=CC(C)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001345658	1	51	0.0	-46.68	388.56	7.17	-39.51
COCCOC1=CC(C)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001345658	1	51	0.0	-47.68	389.36	7.61	-40.07
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(SC(F)(F)F)C=C2)C1	REAL300001345779	0	41	0.0	-52.22	347.28	8.76	-43.46
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(SC(F)(F)F)C=C2)C1	REAL300001345779	1	41	0.0	-52.33	347.12	8.76	-43.57
COC1=CC=C(OCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001345913	0	48	0.0	-50.33	375.46	6.30	-44.03
COC1=CC=C(OCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001345913	1	48	0.0	-50.59	376.10	6.32	-44.27
O=C([O-])C1CCC[N@H+](CC(=O)NCCCCOC2=CC=C(F)C=C2)C1	REAL300001346038	0	50	0.0	-52.14	396.08	8.63	-43.51
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCCOC2=CC=C(F)C=C2)C1	REAL300001346038	1	50	0.0	-51.51	395.44	8.61	-42.90
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(CN3C=CC=N3)C=C2)C1	REAL300001346168	0	50	0.0	-49.66	392.36	8.61	-41.05
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(CN3C=CC=N3)C=C2)C1	REAL300001346168	1	50	0.0	-52.25	394.27	9.05	-43.20
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC2=NC3=CC=CC=C3N2)C1	REAL300001346300	0	49	0.0	-54.32	385.95	7.67	-46.65
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC2=NC3=CC=CC=C3N2)C1	REAL300001346300	1	49	0.0	-51.99	379.75	7.65	-44.34
CC(C1=CC=CS1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001346386	0	43	0.0	-47.01	334.86	8.85	-38.16
CC(C1=CC=CS1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001346386	1	43	0.0	-47.74	337.56	8.84	-38.90
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(Br)=C2)C1	REAL300001346492	0	40	0.0	-49.00	338.00	8.04	-40.96
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(Br)=C2)C1	REAL300001346492	1	40	0.0	-46.83	331.79	8.02	-38.81
CN(CC1=CC=CC2=CC=CC=C21)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001346621	0	49	0.0	-50.57	368.36	12.30	-38.27
CN(CC1=CC=CC2=CC=CC=C21)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001346621	1	49	0.0	-50.78	374.74	12.27	-38.51
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C1	REAL300001346732	0	50	0.0	-50.91	402.23	12.00	-38.91
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C1	REAL300001346732	1	50	0.0	-51.21	407.68	11.97	-39.24
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCSC3=C(F)C=CC=C32)C1	REAL300001346842	0	45	0.0	-55.23	355.84	8.91	-46.32
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCSC3=C(F)C=CC=C32)C1	REAL300001346842	1	45	0.0	-54.53	354.22	8.84	-45.69
CC1=CC=C(OC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)C=C1	REAL300001346972	0	51	0.0	-53.30	401.57	10.84	-42.46
CC1=CC=C(OC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)C=C1	REAL300001346972	1	51	0.0	-54.12	400.97	10.88	-43.24
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2)C2CC2)C1	REAL300001347061	0	47	0.0	-47.40	353.05	9.71	-37.69
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2)C2CC2)C1	REAL300001347061	1	47	0.0	-45.51	352.21	9.26	-36.25
CC1=CC(C)=C(NC(=O)CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001347190	0	56	0.0	-49.06	423.85	10.47	-38.59
CC1=CC(C)=C(NC(=O)CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001347190	1	56	0.0	-49.15	421.62	10.02	-39.13
CC(C)N(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001347301	0	54	0.0	-58.04	404.39	9.18	-48.86
CC(C)N(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001347301	1	54	0.0	-63.19	406.55	9.72	-53.47
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC=C3)CCC2)C1	REAL300001347410	0	47	0.0	-45.44	346.65	8.91	-36.53
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC=C3)CCC2)C1	REAL300001347410	1	47	0.0	-49.24	347.72	9.30	-39.94
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC=CC(Br)=C2)C1	REAL300001347497	0	47	0.0	-47.32	379.72	11.47	-35.85
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC=CC(Br)=C2)C1	REAL300001347497	1	47	0.0	-49.41	373.51	11.45	-37.96
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=C(C(=O)NC3CC3)C=C2)C2CC2)C1	REAL300001347575	0	58	0.0	-58.52	436.31	10.81	-47.71
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=C(C(=O)NC3CC3)C=C2)C2CC2)C1	REAL300001347575	1	58	0.0	-54.69	438.06	10.49	-44.20
CC(C)CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001347718	0	52	0.0	-47.69	382.06	10.08	-37.61
CC(C)CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001347718	1	52	0.0	-47.00	376.52	10.13	-36.87
CC(C)NC(=O)C(=O)N1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001347834	0	54	0.0	-51.41	407.09	5.51	-45.90
CC(C)NC(=O)C(=O)N1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001347834	1	54	0.0	-47.76	399.60	5.03	-42.73
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCCC3=CC=CC=C32)C1	REAL300001347956	0	50	0.0	-46.58	364.96	9.31	-37.27
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCCC3=CC=CC=C32)C1	REAL300001347956	1	50	0.0	-49.55	372.39	9.75	-39.80
COC1=CC=CC(C(=O)N2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300001348073	0	55	0.0	-56.34	415.59	8.46	-47.88
COC1=CC=CC(C(=O)N2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300001348073	1	55	0.0	-59.75	409.48	8.63	-51.12
CC1=CC(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300001348172	0	46	0.0	-47.06	350.16	8.59	-38.47
CC1=CC(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300001348172	1	46	0.0	-48.92	356.44	8.61	-40.31
COC1=CC=C(C(=O)N2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001348278	0	55	0.0	-54.93	414.41	8.44	-46.49
COC1=CC=C(C(=O)N2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001348278	1	55	0.0	-51.72	408.08	8.00	-43.72
CC(C)COC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001348465	0	53	0.0	-46.78	403.45	9.12	-37.66
CC(C)COC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001348465	1	53	0.0	-48.50	409.67	9.15	-39.35
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300001348593	0	47	0.0	-51.44	351.50	10.80	-40.64
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300001348593	1	47	0.0	-48.58	351.70	10.39	-38.19
CC1=NN(C2=CC=CC=C2C)C(C)=C1CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001348724	0	59	0.0	-47.53	433.26	12.40	-35.13
CC1=NN(C2=CC=CC=C2C)C(C)=C1CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001348724	1	59	0.0	-51.65	442.55	12.40	-39.25
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC(C2=CC=CC=C2)O1	REAL300001348859	0	51	0.0	-49.98	375.82	9.86	-40.12
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC(C2=CC=CC=C2)O1	REAL300001348859	1	51	0.0	-50.37	375.88	9.88	-40.49
CC1=CC=CC(OCC(O)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001349078	0	51	0.0	-49.60	393.99	5.41	-44.19
CC1=CC=CC(OCC(O)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001349078	1	51	0.0	-49.10	392.83	4.97	-44.13
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(NC(=O)C3CCCO3)=C2)C1	REAL300001349286	0	55	0.0	-58.92	429.51	7.64	-51.28
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(NC(=O)C3CCCO3)=C2)C1	REAL300001349286	1	55	0.0	-58.01	423.31	7.61	-50.40
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=C(Cl)C=C3)CCOCC2)C1	REAL300001349392	0	54	0.0	-50.47	411.27	8.99	-41.48
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=C(Cl)C=C3)CCOCC2)C1	REAL300001349392	1	54	0.0	-49.92	404.62	8.98	-40.94
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(NC(=O)C3=CSC=C3)CC2)C1	REAL300001349502	0	51	0.0	-50.50	394.06	7.43	-43.07
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CSC=C3)CC2)C1	REAL300001349502	1	51	0.0	-52.69	401.57	7.88	-44.81
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(NC(=O)C3=CC=CS3)CC2)C1	REAL300001349624	0	51	0.0	-52.93	402.79	7.99	-44.94
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(NC(=O)C3=CC=CS3)CC2)C1	REAL300001349624	1	51	0.0	-51.84	402.34	7.97	-43.87
CCNC(=O)C1=CC=C(C)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001349747	1	50	0.0	-56.16	385.66	7.24	-48.92
CCNC(=O)C1=CC=C(C)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001349747	1	50	0.0	-62.24	380.18	7.29	-54.95
CCOC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001349863	0	47	0.0	-47.93	361.85	7.63	-40.30
CCOC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001349863	1	47	0.0	-46.75	359.94	7.18	-39.57
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2OC2CCCC2)C1	REAL300001349986	0	54	0.0	-46.95	409.68	9.66	-37.29
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2OC2CCCC2)C1	REAL300001349986	1	54	0.0	-47.10	403.53	9.64	-37.46
CCOC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001350102	0	47	0.0	-47.23	361.85	7.63	-39.60
CCOC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001350102	1	47	0.0	-49.02	368.06	7.65	-41.37
CCCCOC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001350220	0	57	0.0	-50.13	434.09	9.10	-41.03
CCCCOC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001350220	1	57	0.0	-52.22	440.30	9.12	-43.10
CCCOC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001350345	0	54	0.0	-50.18	412.59	8.32	-41.86
CCCOC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001350345	1	54	0.0	-52.39	418.80	8.34	-44.05
CCCCOC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001350476	0	56	0.0	-51.06	426.35	9.98	-41.08
CCCCOC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001350476	1	56	0.0	-51.62	432.56	10.00	-41.62
CC(C)OC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001350604	0	53	0.0	-51.61	401.27	9.02	-42.59
CC(C)OC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001350604	1	53	0.0	-48.23	399.36	8.59	-39.64
CC(C)COC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001350721	1	50	0.0	-45.31	375.11	8.72	-36.59
CC(C)COC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001350721	1	50	0.0	-46.15	376.76	9.16	-36.99
CC(C)OC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001350815	1	47	0.0	-45.50	352.50	7.91	-37.59
CC(C)OC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001350815	1	47	0.0	-46.34	353.89	8.34	-38.00
CCCOC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001350913	0	47	0.0	-51.35	362.80	8.33	-43.02
CCCOC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001350913	1	47	0.0	-53.52	357.61	8.33	-45.19
CCCCOC1=CC=C(OC)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001351023	1	54	0.0	-49.04	413.10	8.51	-40.53
CCCCOC1=CC=C(OC)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001351023	1	54	0.0	-50.03	406.81	8.53	-41.50
COC1=CC=C(OC(F)F)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001351132	1	45	0.0	-52.43	358.01	6.28	-46.15
COC1=CC=C(OC(F)F)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001351132	1	45	0.0	-53.22	351.71	6.29	-46.93
CC1CC1C1=CC=C(CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)O1	REAL300001351243	0	54	0.0	-47.63	405.54	11.91	-35.72
CC1CC1C1=CC=C(CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)O1	REAL300001351243	1	54	0.0	-45.29	413.39	12.19	-33.10
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=C(Cl)C=C2)C2CC2)C1	REAL300001351350	0	47	0.0	-50.72	372.13	11.44	-39.28
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=C(Cl)C=C2)C2CC2)C1	REAL300001351350	1	47	0.0	-46.58	372.68	11.24	-35.34
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=C(F)C=C2F)C2CC2)C1	REAL300001351457	0	47	0.0	-51.14	358.67	10.86	-40.28
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=C(F)C=C2F)C2CC2)C1	REAL300001351457	1	47	0.0	-54.50	359.08	10.92	-43.58
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2C(F)(F)F)C2CC2)C1	REAL300001351562	0	50	0.0	-50.57	386.17	12.32	-38.25
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2C(F)(F)F)C2CC2)C1	REAL300001351562	1	50	0.0	-54.11	385.26	12.28	-41.83
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(Cl)C=C3)CCCCC2)C1	REAL300001351751	0	53	0.0	-50.60	400.42	11.58	-39.02
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C(Cl)C=C3)CCCCC2)C1	REAL300001351751	1	53	0.0	-49.74	393.68	11.54	-38.20
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=NN(C3=CC=CC=C3)C=C2)C1	REAL300001351864	0	50	0.0	-54.74	397.04	9.29	-45.45
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=NN(C3=CC=CC=C3)C=C2)C1	REAL300001351864	1	50	0.0	-56.46	390.84	9.27	-47.19
O=C([O-])C1CCC[N@H+](CC(=O)NCCCNC(=O)C2=CC=CS2)C1	REAL300001351993	0	47	0.0	-56.47	386.93	5.65	-50.82
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCNC(=O)C2=CC=CS2)C1	REAL300001351993	1	47	0.0	-55.86	386.29	5.63	-50.23
CSC1=CC2=C(C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OCCO2	REAL300001352218	1	47	0.0	-50.87	372.73	7.59	-43.28
CSC1=CC2=C(C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OCCO2	REAL300001352218	1	47	0.0	-51.41	366.36	7.58	-43.83
CCC1=CC=C(C2COCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)O1	REAL300001352323	0	51	0.0	-50.19	377.82	9.36	-40.83
CCC1=CC=C(C2COCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)O1	REAL300001352323	1	51	0.0	-45.42	375.82	8.88	-36.54
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(F)C=C3)CC2)C1	REAL300001352420	0	44	0.0	-47.88	338.89	8.27	-39.61
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C(F)C=C3)CC2)C1	REAL300001352420	1	44	0.0	-50.87	347.07	9.02	-41.85
NC(=O)C1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300001352582	0	47	0.0	-47.33	347.89	3.72	-43.61
NC(=O)C1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300001352582	1	47	0.0	-51.26	354.01	3.80	-47.46
CC(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300001352680	0	49	0.0	-46.50	363.18	9.13	-37.37
CC(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1Cl	REAL300001352680	1	49	0.0	-50.19	364.05	9.59	-40.60
CC1=CC=CC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001352777	0	49	0.0	-47.11	359.34	9.32	-37.79
CC1=CC=CC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001352777	1	49	0.0	-47.97	359.42	9.32	-38.65
CC1=CC(OCC2=CC=CC=C2)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001352894	0	54	0.0	-49.84	412.72	11.01	-38.83
CC1=CC(OCC2=CC=CC=C2)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001352894	1	54	0.0	-52.00	413.53	11.45	-40.55
CC(C)(C)S(=O)CC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001353253	0	54	0.0	-63.44	421.87	8.55	-54.89
CC(C)(C)S(=O)CC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001353253	1	54	0.0	-55.15	416.68	8.55	-46.60
COCCS(=O)CC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001353374	0	52	0.0	-57.64	420.74	6.50	-51.14
COCCS(=O)CC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001353374	1	52	0.0	-56.54	415.54	6.52	-50.02
CC1=C(CS(C)=O)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001353495	0	48	0.0	-63.36	379.01	7.25	-56.11
CC1=C(CS(C)=O)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001353495	1	48	0.0	-63.55	374.50	7.33	-56.22
CS(=O)CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300001353625	1	45	0.0	-65.35	378.87	7.01	-58.34
CS(=O)CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300001353625	1	45	0.0	-66.60	373.56	7.02	-59.58
CC1=CC=NC(C2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=N1	REAL300001353749	0	48	0.0	-55.68	375.23	9.26	-46.42
CC1=CC=NC(C2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=N1	REAL300001353749	1	48	0.0	-56.16	381.59	9.21	-46.95
COC1=CC=C(CCN(CC(C)(C)C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001353864	0	62	0.0	-48.53	452.02	12.09	-36.44
COC1=CC=C(CCN(CC(C)(C)C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001353864	1	62	0.0	-48.37	446.45	12.12	-36.25
O=C([O-])C1CCC[N@H+](CC(=O)N(CCC2=CC=C(Cl)C=C2)CC2CC2)C1	REAL300001353971	0	53	0.0	-46.32	417.90	13.27	-33.05
O=C([O-])C1CCC[N@@H+](CC(=O)N(CCC2=CC=C(Cl)C=C2)CC2CC2)C1	REAL300001353971	1	53	0.0	-48.06	425.69	13.31	-34.75
CS(=O)CC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001354183	0	45	0.0	-56.59	365.60	6.54	-50.05
CS(=O)CC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001354183	1	45	0.0	-56.56	360.40	6.55	-50.01
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C(F)=C1	REAL300001354299	0	43	0.0	-51.63	346.28	8.38	-43.25
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C(F)=C1	REAL300001354299	1	43	0.0	-54.50	347.40	8.40	-46.10
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCCCC1CCCC1	REAL300001354428	0	52	0.0	-47.57	385.49	9.33	-38.24
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCCCC1CCCC1	REAL300001354428	1	52	0.0	-46.97	384.88	9.33	-37.64
NC(=O)C1(C2=CC=CC=C2)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001354538	0	54	0.0	-54.20	396.79	7.18	-47.02
NC(=O)C1(C2=CC=CC=C2)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001354538	1	54	0.0	-57.75	390.62	7.33	-50.42
CCSCCC(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001354615	0	46	0.0	-48.09	363.60	8.29	-39.80
CCSCCC(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001354615	1	46	0.0	-47.23	358.10	8.32	-38.91
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=C(F)C=C2)CC2CC2)C1	REAL300001354718	0	50	0.0	-47.48	385.19	12.03	-35.45
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=C(F)C=C2)CC2CC2)C1	REAL300001354718	1	50	0.0	-46.06	386.66	11.65	-34.41
CSC1CCCC1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001354821	0	44	0.0	-44.04	339.61	7.77	-36.27
CSC1CCCC1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001354821	1	44	0.0	-49.82	338.37	7.69	-42.13
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NC(C3=CC=C(Cl)C=C3)=NO2)C1	REAL300001354917	1	45	0.0	-52.80	384.33	6.59	-46.21
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NC(C3=CC=C(Cl)C=C3)=NO2)C1	REAL300001354917	1	45	0.0	-49.90	378.13	6.57	-43.33
CC(C)OC1=C(Cl)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001355146	1	47	0.0	-49.76	375.43	9.54	-40.22
CC(C)OC1=C(Cl)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001355146	1	47	0.0	-47.80	369.23	9.67	-38.13
CC1SCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1C	REAL300001355209	0	44	0.0	-48.41	321.31	8.38	-40.03
CC1SCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1C	REAL300001355209	1	44	0.0	-49.26	327.05	8.53	-40.73
CCCC1(C)CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001355345	0	52	0.0	-46.63	360.32	10.09	-36.54
CCCC1(C)CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001355345	1	52	0.0	-42.55	359.14	9.63	-32.92
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NC(C3=CC=CC(Cl)=C3)=NO2)C1	REAL300001355533	1	45	0.0	-53.79	384.33	6.58	-47.21
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NC(C3=CC=CC(Cl)=C3)=NO2)C1	REAL300001355533	1	45	0.0	-50.55	378.14	6.56	-43.99
CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC1CCOCC1	REAL300001355655	0	55	0.0	-52.34	412.13	8.41	-43.93
CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC1CCOCC1	REAL300001355655	1	55	0.0	-52.90	407.36	8.50	-44.40
CC1=C(C(CC2=CC=CC=C2)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)SC=C1	REAL300001355764	0	53	0.0	-45.42	417.92	11.43	-33.99
CC1=C(C(CC2=CC=CC=C2)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)SC=C1	REAL300001355764	1	53	0.0	-48.54	418.26	11.89	-36.65
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCN(C2=CC=CC=C2)C1=O	REAL300001355876	0	54	0.0	-52.61	410.60	10.50	-42.11
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCN(C2=CC=CC=C2)C1=O	REAL300001355876	1	54	0.0	-54.39	406.50	10.27	-44.12
CCOCCCNC(=O)C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001356114	0	60	0.0	-55.76	450.70	7.32	-48.44
CCOCCCNC(=O)C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001356114	1	60	0.0	-51.79	443.22	6.85	-44.94
CC(C)OC1=CC=C(CCC(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001356250	0	59	0.0	-50.80	448.08	10.82	-39.98
CC(C)OC1=CC=C(CCC(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001356250	1	59	0.0	-50.55	442.60	10.85	-39.70
COC1=CC=C(CCC(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001356373	0	53	0.0	-51.23	408.31	9.26	-41.97
COC1=CC=C(CCC(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001356373	1	53	0.0	-50.74	402.82	9.29	-41.45
CC(C)OC1=CC=CC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001356502	0	53	0.0	-49.49	402.83	9.09	-40.40
CC(C)OC1=CC=CC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001356502	1	53	0.0	-50.60	403.98	9.12	-41.48
COC1=CC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300001356714	0	57	0.0	-52.92	432.06	8.99	-43.93
COC1=CC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300001356714	1	57	0.0	-53.67	433.23	9.03	-44.64
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1OC(F)F	REAL300001356827	0	50	0.0	-50.07	387.26	8.78	-41.29
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1OC(F)F	REAL300001356827	1	50	0.0	-53.69	388.10	9.25	-44.44
CC(C)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C(C)C)=C1	REAL300001357013	0	55	0.0	-45.95	400.88	10.96	-34.99
CC(C)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C(C)C)=C1	REAL300001357013	1	55	0.0	-48.38	401.70	11.41	-36.97
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300001357132	0	47	0.0	-48.60	376.09	7.52	-41.08
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300001357132	1	47	0.0	-51.90	377.99	7.97	-43.93
CC(C)(C)C1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001357270	0	59	0.0	-48.55	428.32	13.14	-35.41
CC(C)(C)C1=CC=C(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001357270	1	59	0.0	-47.23	434.56	13.16	-34.07
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC=CC(Cl)=C2)C1	REAL300001357373	0	47	0.0	-47.42	375.15	11.36	-36.06
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC=CC(Cl)=C2)C1	REAL300001357373	1	47	0.0	-49.61	368.94	11.34	-38.27
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2CCCCC2)C1	REAL300001357473	0	53	0.0	-42.26	366.79	10.49	-31.77
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2CCCCC2)C1	REAL300001357473	1	53	0.0	-46.82	368.87	11.01	-35.81
CC1=CC=CC=C1C1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001357571	0	50	0.0	-47.43	372.17	11.35	-36.08
CC1=CC=CC=C1C1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001357571	1	50	0.0	-48.27	373.57	11.36	-36.91
CC1=CC=CC(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001357672	0	50	0.0	-49.42	373.62	11.48	-37.94
CC1=CC=CC(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001357672	1	50	0.0	-47.78	379.82	11.50	-36.28
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CSC=C2)C1	REAL300001357768	0	44	0.0	-47.47	348.94	9.63	-37.84
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CSC=C2)C1	REAL300001357768	1	44	0.0	-49.10	342.80	9.65	-39.45
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(NC(N)=O)C=C1	REAL300001357879	0	49	0.0	-56.56	382.56	4.35	-52.21
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(NC(N)=O)C=C1	REAL300001357879	1	49	0.0	-53.11	377.38	4.34	-48.77
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300001358043	0	54	0.0	-54.41	420.72	8.72	-45.69
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(NC(=O)C2CC2)C=C1	REAL300001358043	1	54	0.0	-56.72	415.00	8.76	-47.96
CC(C)N(CC1=CC=C(Br)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001358146	0	49	0.0	-47.17	382.52	11.23	-35.94
CC(C)N(CC1=CC=C(Br)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001358146	1	49	0.0	-45.04	377.66	11.28	-33.76
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(CN3C=CC=N3)=C2)C1	REAL300001358255	0	47	0.0	-52.49	368.54	8.96	-43.53
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(CN3C=CC=N3)=C2)C1	REAL300001358255	1	47	0.0	-52.34	374.03	8.94	-43.40
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(CN3C=NC=N3)=C2)C1	REAL300001358383	0	46	0.0	-55.05	363.30	10.40	-44.65
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(CN3C=NC=N3)=C2)C1	REAL300001358383	1	46	0.0	-54.89	368.78	10.37	-44.52
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(CN3CCCC3=O)=C2)C1	REAL300001358516	0	51	0.0	-60.16	392.18	9.08	-51.08
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(CN3CCCC3=O)=C2)C1	REAL300001358516	1	51	0.0	-57.34	397.74	9.05	-48.29
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(COCC3=CC=CO3)=C2)C1	REAL300001358646	0	51	0.0	-53.55	402.34	9.15	-44.40
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(COCC3=CC=CO3)=C2)C1	REAL300001358646	1	51	0.0	-54.09	407.82	9.12	-44.97
COCC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001358732	0	44	0.0	-50.49	345.02	7.02	-43.47
COCC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001358732	1	44	0.0	-51.83	339.82	7.04	-44.79
COCC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001358790	0	44	0.0	-48.62	333.79	6.90	-41.72
COCC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001358790	1	44	0.0	-50.83	334.61	7.34	-43.49
CC(=O)NC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001358857	0	47	0.0	-54.88	353.70	5.83	-49.05
CC(=O)NC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001358857	1	47	0.0	-51.40	347.03	5.37	-46.03
CC1=C(C)OC(C2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300001358995	0	49	0.0	-56.57	388.02	7.14	-49.43
CC1=C(C)OC(C2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300001358995	1	49	0.0	-60.14	383.96	7.22	-52.92
O=C([O-])C1CCC[N@H+](CC(=O)N(C2CC2)C2CCC3=CC=CC=C32)C1	REAL300001359113	0	51	0.0	-41.09	359.36	10.99	-30.10
O=C([O-])C1CCC[N@@H+](CC(=O)N(C2CC2)C2CCC3=CC=CC=C32)C1	REAL300001359113	1	51	0.0	-46.46	381.12	11.82	-34.64
CNC(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001359228	1	44	0.0	-58.89	359.12	6.09	-52.80
CNC(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001359228	1	44	0.0	-64.00	353.64	6.12	-57.88
CCN(CCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)S(C)(=O)=O	REAL300001359358	0	50	0.0	-55.06	391.85	3.91	-51.15
CCN(CCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)S(C)(=O)=O	REAL300001359358	1	50	0.0	-59.49	395.31	4.06	-55.43
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3=CC=C(F)C(Cl)=C3)C2)C1	REAL300001359478	0	48	0.0	-51.90	382.02	9.64	-42.26
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3=CC=C(F)C(Cl)=C3)C2)C1	REAL300001359478	1	48	0.0	-51.68	388.27	9.50	-42.18
CC1=CSC(CCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001359588	0	45	0.0	-50.39	365.65	6.66	-43.73
CC1=CSC(CCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001359588	1	45	0.0	-50.79	366.29	6.68	-44.11
CCCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001359693	0	52	0.0	-51.55	407.53	10.62	-40.93
CCCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001359693	1	52	0.0	-51.99	409.13	10.68	-41.31
CC(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001359867	0	52	0.0	-51.07	403.23	10.33	-40.74
CC(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001359867	1	52	0.0	-51.88	400.47	10.61	-41.27
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(OCC(F)F)=C2)C1	REAL300001359979	0	47	0.0	-52.85	381.08	7.97	-44.88
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(OCC(F)F)=C2)C1	REAL300001359979	1	47	0.0	-51.07	374.87	7.95	-43.12
COC1=CC(OC)=C(OC)C=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001360111	0	52	0.0	-50.79	397.66	5.93	-44.86
COC1=CC(OC)=C(OC)C=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001360111	1	52	0.0	-51.74	403.83	5.95	-45.79
CCC(=O)N1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001360203	0	47	0.0	-56.55	350.24	7.19	-49.36
CCC(=O)N1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001360203	1	47	0.0	-52.11	342.76	6.72	-45.39
CC1=CC=CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001360268	0	46	0.0	-49.76	353.40	8.84	-40.92
CC1=CC=CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001360268	1	46	0.0	-46.53	351.49	8.39	-38.14
CCC(CC)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001360364	0	52	0.0	-48.86	392.29	10.92	-37.94
CCC(CC)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001360364	1	52	0.0	-46.16	384.85	10.48	-35.68
CSCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001360489	0	44	0.0	-50.84	350.66	9.22	-41.62
CSCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001360489	1	44	0.0	-51.38	357.01	9.18	-42.20
CC(C)(C)SC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001360608	0	50	0.0	-49.60	374.48	10.02	-39.58
CC(C)(C)SC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001360608	1	50	0.0	-52.17	381.53	10.00	-42.17
CC1=CC(C2=CC=CC(Cl)=C2)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001360723	0	50	0.0	-49.38	392.31	11.66	-37.72
CC1=CC(C2=CC=CC(Cl)=C2)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001360723	1	50	0.0	-52.96	393.13	12.09	-40.87
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=C(Cl)C=C3)CCC2)C1	REAL300001360835	0	50	0.0	-49.16	396.65	10.38	-38.78
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=C(Cl)C=C3)CCC2)C1	REAL300001360835	1	50	0.0	-48.78	389.90	10.35	-38.43
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2CC2)C2CCCCC2)C1	REAL300001360945	0	53	0.0	-43.49	375.12	11.38	-32.11
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2CC2)C2CCCCC2)C1	REAL300001360945	1	53	0.0	-42.56	376.64	11.01	-31.55
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Br	REAL300001361057	0	41	0.0	-52.00	339.88	7.26	-44.74
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Br	REAL300001361057	1	41	0.0	-55.30	334.66	7.27	-48.03
CC1=CC=C(C(=O)N2CCC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001361179	0	57	0.0	-56.04	423.93	9.29	-46.75
CC1=CC=C(C(=O)N2CCC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300001361179	1	57	0.0	-56.03	430.70	9.33	-46.70
O=C([O-])C1CCC[N@H+](CC(=O)NCCOCC2=CC=CC=C2)C1	REAL300001361286	0	47	0.0	-48.62	372.16	7.51	-41.11
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOCC2=CC=CC=C2)C1	REAL300001361286	1	47	0.0	-48.49	371.51	7.49	-41.00
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CNC(=O)C=C3)CC2)C1	REAL300001361404	0	51	0.0	-58.77	387.31	5.77	-53.00
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CNC(=O)C=C3)CC2)C1	REAL300001361404	1	51	0.0	-62.38	394.54	6.22	-56.16
CC1=CC=CC=C1C1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001361524	0	50	0.0	-45.23	378.17	9.86	-35.37
CC1=CC=CC=C1C1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001361524	1	50	0.0	-45.72	378.89	9.87	-35.85
NC(=O)C1=CC=CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001361645	0	47	0.0	-57.44	366.54	4.94	-52.50
NC(=O)C1=CC=CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001361645	1	47	0.0	-53.00	364.64	4.50	-48.50
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3=CC=CC=C3F)C2)C1	REAL300001361770	0	48	0.0	-46.36	363.19	8.55	-37.81
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3=CC=CC=C3F)C2)C1	REAL300001361770	1	48	0.0	-49.99	369.84	8.99	-41.00
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3=CC=CC(F)=C3)C2)C1	REAL300001361899	0	48	0.0	-51.10	365.88	9.16	-41.94
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3=CC=CC(F)=C3)C2)C1	REAL300001361899	1	48	0.0	-50.67	372.06	8.99	-41.68
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(SC(F)F)=C2)C1	REAL300001362030	0	41	0.0	-51.21	334.29	8.59	-42.62
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(SC(F)F)=C2)C1	REAL300001362030	1	41	0.0	-52.81	339.77	8.57	-44.24
CC1=CC=CC(C2(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCCC2)=C1	REAL300001362163	0	56	0.0	-45.81	405.99	11.70	-34.11
CC1=CC=CC(C2(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCCC2)=C1	REAL300001362163	1	56	0.0	-47.42	411.08	11.72	-35.70
CC1=CC=CC(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCCC2)=C1	REAL300001362283	0	53	0.0	-48.68	382.87	10.57	-38.11
CC1=CC=CC(C2(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCCC2)=C1	REAL300001362283	1	53	0.0	-49.01	389.11	10.59	-38.42
CCCC1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=C1	REAL300001362393	0	58	0.0	-47.30	428.93	11.55	-35.75
CCCC1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=C1	REAL300001362393	1	58	0.0	-48.23	430.13	11.75	-36.48
C=C(C)COC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001362510	0	48	0.0	-51.67	373.59	8.93	-42.74
C=C(C)COC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001362510	1	48	0.0	-49.34	368.15	8.95	-40.39
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C3=CC=CC=C3)CC2)C1	REAL300001362637	0	53	0.0	-48.64	388.95	12.02	-36.62
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C3=CC=CC=C3)CC2)C1	REAL300001362637	1	53	0.0	-48.08	381.80	12.00	-36.08
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300001362894	0	55	0.0	-53.80	419.91	10.47	-43.33
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2C2=NC(C3=CC=CC=C3)=NO2)C1	REAL300001362894	1	55	0.0	-58.00	413.78	10.53	-47.47
CN(CCC1=CC=C(Br)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001363004	0	46	0.0	-49.02	377.70	10.89	-38.13
CN(CCC1=CC=C(Br)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001363004	1	46	0.0	-49.52	377.33	10.89	-38.63
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(C3=NC4=CC=CC=C4N3)C=C2)C1	REAL300001363117	0	53	0.0	-55.76	422.02	10.00	-45.76
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(C3=NC4=CC=CC=C4N3)C=C2)C1	REAL300001363117	1	53	0.0	-54.50	415.82	9.98	-44.52
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC=C(F)C=C3F)CC2)C1	REAL300001363218	0	51	0.0	-54.30	391.29	8.82	-45.48
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC=C(F)C=C3F)CC2)C1	REAL300001363218	1	51	0.0	-59.43	397.39	9.28	-50.15
O=C([O-])C1CCC[N@H+](CC(=O)NCC(=O)N2CCCC3=CC=CC=C32)C1	REAL300001363402	0	51	0.0	-52.49	386.64	8.45	-44.04
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC3=CC=CC=C32)C1	REAL300001363402	1	51	0.0	-48.77	380.43	8.43	-40.34
CCN(CC1=CC=CC=C1)C(=O)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001363534	0	53	0.0	-47.32	406.62	8.87	-38.45
CCN(CC1=CC=CC=C1)C(=O)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001363534	1	53	0.0	-50.26	407.06	8.69	-41.57
CC1=CC=NN1C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001363661	0	47	0.0	-56.05	367.14	8.92	-47.13
CC1=CC=NN1C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001363661	1	47	0.0	-50.71	361.66	8.95	-41.76
COC1=CC2=C(C=C1OC)CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300001363786	0	55	0.0	-54.12	405.64	9.58	-44.54
COC1=CC2=C(C=C1OC)CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300001363786	1	55	0.0	-54.62	405.56	9.59	-45.03
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CSC=C2)C2=CC=C(Cl)C=C2)C1	REAL300001363891	0	47	0.0	-50.44	393.87	10.90	-39.54
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CSC=C2)C2=CC=C(Cl)C=C2)C1	REAL300001363891	1	47	0.0	-48.60	393.00	10.43	-38.17
C=CCN(CCC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001363984	0	50	0.0	-47.07	384.12	11.81	-35.26
C=CCN(CCC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001363984	1	50	0.0	-47.40	389.60	11.77	-35.63
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(Br)S2)C1	REAL300001364092	0	40	0.0	-47.71	341.99	7.55	-40.16
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(Br)S2)C1	REAL300001364092	1	40	0.0	-51.24	343.90	7.99	-43.25
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(=O)NC(C)(C)C	REAL300001364305	0	49	0.0	-47.99	368.50	5.05	-42.94
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(=O)NC(C)(C)C	REAL300001364305	1	49	0.0	-49.02	369.66	5.08	-43.94
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2)CC2CCC2)C1	REAL300001364472	0	53	0.0	-45.66	395.54	12.43	-33.23
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2)CC2CCC2)C1	REAL300001364472	1	53	0.0	-42.49	391.49	11.89	-30.60
CCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300001364577	0	47	0.0	-50.79	361.40	8.27	-42.52
CCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300001364577	1	47	0.0	-50.58	355.93	8.30	-42.28
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC(Cl)=CC(Cl)=C2)C1	REAL300001364700	0	43	0.0	-48.05	363.56	8.74	-39.31
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC(Cl)=CC(Cl)=C2)C1	REAL300001364700	1	43	0.0	-51.07	365.46	9.18	-41.89
CCN1N=CC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C21	REAL300001364826	0	46	0.0	-52.27	354.63	7.68	-44.59
CCN1N=CC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C21	REAL300001364826	1	46	0.0	-55.02	355.74	8.11	-46.91
COCCN1N=CC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C21	REAL300001364952	0	50	0.0	-52.40	388.30	6.73	-45.67
COCCN1N=CC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C21	REAL300001364952	1	50	0.0	-56.59	389.41	7.16	-49.43
CC1=CC(C(=O)NC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=NO1	REAL300001365099	0	53	0.0	-51.87	410.84	7.05	-44.82
CC1=CC(C(=O)NC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=NO1	REAL300001365099	1	53	0.0	-49.40	403.34	6.57	-42.83
CS(=O)(=O)N1CCCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001365252	0	48	0.0	-55.17	366.55	3.12	-52.05
CS(=O)(=O)N1CCCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001365252	1	48	0.0	-58.77	367.35	3.56	-55.21
CC(C)(C)N1C2=CC=CC=C2N=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001365373	0	52	0.0	-56.53	384.46	12.12	-44.41
CC(C)(C)N1C2=CC=CC=C2N=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001365373	1	52	0.0	-57.25	385.65	12.15	-45.10
CC(C)C1=CC=CC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001365549	0	49	0.0	-44.95	366.03	10.45	-34.50
CC(C)C1=CC=CC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001365549	1	49	0.0	-48.82	366.81	10.92	-37.90
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300001365669	0	43	0.0	-49.27	354.81	8.88	-40.39
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300001365669	1	43	0.0	-47.97	349.37	8.91	-39.06
CCN(CC)C(=O)C1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001365783	0	53	0.0	-48.96	389.91	8.92	-40.04
CCN(CC)C(=O)C1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001365783	1	53	0.0	-49.82	391.61	8.77	-41.05
CCC1=NC(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CS1	REAL300001365939	0	45	0.0	-48.63	356.37	7.94	-40.69
CCC1=NC(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CS1	REAL300001365939	1	45	0.0	-44.95	354.73	7.49	-37.46
CC(C)C1=NC(C2=CC=CC=C2NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=NN1	REAL300001366162	0	52	0.0	-47.13	395.59	9.33	-37.80
CC(C)C1=NC(C2=CC=CC=C2NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=NN1	REAL300001366162	1	52	0.0	-48.79	396.96	9.81	-38.98
CCC(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC2=CC=CC=C2N1	REAL300001366263	0	55	0.0	-54.91	412.41	9.39	-45.52
CCC(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC2=CC=CC=C2N1	REAL300001366263	1	55	0.0	-47.07	408.16	8.25	-38.82
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C3=NC=CS3)=C2)C1	REAL300001366378	0	43	0.0	-54.42	349.26	8.19	-46.23
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C3=NC=CS3)=C2)C1	REAL300001366378	1	43	0.0	-54.00	354.77	8.16	-45.84
CCN(CC1=CC=C(OC)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001366506	0	50	0.0	-45.34	376.39	9.26	-36.08
CCN(CC1=CC=C(OC)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001366506	1	50	0.0	-48.40	377.25	9.72	-38.68
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC=C(F)C=C1	REAL300001366619	0	49	0.0	-48.00	365.37	10.55	-37.45
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC=C(F)C=C1	REAL300001366619	1	49	0.0	-45.41	358.63	10.31	-35.10
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2OC2CCCC2)C1	REAL300001366724	1	51	0.0	-46.34	378.29	9.70	-36.64
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2OC2CCCC2)C1	REAL300001366724	1	51	0.0	-45.26	377.56	9.18	-36.08
CNC(=O)C1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300001366895	0	50	0.0	-60.50	360.42	5.82	-54.68
CNC(=O)C1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300001366895	1	50	0.0	-58.13	366.62	5.84	-52.29
CC1=NC=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001366969	0	42	0.0	-47.62	335.03	7.42	-40.20
CC1=NC=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001366969	1	42	0.0	-49.29	341.50	7.46	-41.83
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CC3=CC=CC=C32)C1	REAL300001367046	0	44	0.0	-50.54	344.10	8.72	-41.82
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CC3=CC=CC=C32)C1	REAL300001367046	1	44	0.0	-50.03	337.67	8.69	-41.34
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300001367148	0	45	0.0	-57.17	361.75	8.92	-48.25
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300001367148	1	45	0.0	-58.36	362.92	8.95	-49.41
COCCNC(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001367260	1	51	0.0	-58.38	413.91	6.03	-52.35
COCCNC(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001367260	1	51	0.0	-63.39	408.72	6.04	-57.35
CC1=CC=C(C(=O)N2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1F	REAL300001367376	0	54	0.0	-54.61	412.76	9.88	-44.73
CC1=CC=C(C(=O)N2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1F	REAL300001367376	1	54	0.0	-53.31	405.66	9.42	-43.89
CC1=CC=CC(OCCN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001367491	0	50	0.0	-48.21	384.00	10.20	-38.01
CC1=CC=CC(OCCN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001367491	1	50	0.0	-47.87	385.08	9.81	-38.06
O=C([O-])C1CCC[N@H+](CC(=O)NCC(=O)NC2=CC=C(Br)C=C2)C1	REAL300001367613	0	44	0.0	-50.55	362.73	5.97	-44.58
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(=O)NC2=CC=C(Br)C=C2)C1	REAL300001367613	1	44	0.0	-48.74	364.67	6.41	-42.33
C#CC1=CC=CC(NC(=O)CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001367727	0	49	0.0	-54.34	395.71	9.30	-45.04
C#CC1=CC=CC(NC(=O)CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001367727	1	49	0.0	-56.62	396.86	9.33	-47.29
COC1=CC=C(C(=O)NCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001367859	0	51	0.0	-55.91	402.04	5.15	-50.76
COC1=CC=C(C(=O)NCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001367859	1	51	0.0	-56.48	402.68	5.18	-51.30
CCC(C)(C)NC(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001368013	0	56	0.0	-53.21	410.43	8.28	-44.93
CCC(C)(C)NC(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001368013	1	56	0.0	-56.75	416.78	8.24	-48.51
O=C([O-])C1CCC[N@H+](CC(=O)NCC(=O)NC2=CC=CC=C2)C1	REAL300001368118	0	44	0.0	-51.81	349.85	5.80	-46.01
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(=O)NC2=CC=CC=C2)C1	REAL300001368118	1	44	0.0	-48.50	343.38	5.78	-42.72
CCCCN(C)C(=O)C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001368239	0	59	0.0	-55.24	431.50	9.95	-45.29
CCCCN(C)C(=O)C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001368239	1	59	0.0	-56.98	431.87	9.96	-47.02
CN1C2=CC=CC=C2N=C1C1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001368356	0	53	0.0	-49.65	400.08	10.46	-39.19
CN1C2=CC=CC=C2N=C1C1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001368356	1	53	0.0	-50.91	405.83	10.45	-40.46
C#CC1=CC=CC(NC(=O)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001368473	0	46	0.0	-54.82	376.89	7.00	-47.82
C#CC1=CC=CC(NC(=O)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001368473	1	46	0.0	-51.09	370.95	6.97	-44.12
CNC(=O)C1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300001368601	1	44	0.0	-60.83	358.94	6.11	-54.72
CNC(=O)C1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300001368601	1	44	0.0	-59.84	353.75	6.10	-53.74
CS(=O)(=O)CCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001368699	0	42	0.0	-58.09	341.28	2.70	-55.39
CS(=O)(=O)CCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001368699	1	42	0.0	-58.72	341.93	2.72	-56.00
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NN(C3=CC=CC=C3)C3=C2CCC3)C1	REAL300001368803	0	54	0.0	-51.18	423.34	10.33	-40.85
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NN(C3=CC=CC=C3)C3=C2CCC3)C1	REAL300001368803	1	54	0.0	-51.34	414.95	10.23	-41.11
CN(CC1=CC=CC=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001368980	0	43	0.0	-47.98	326.75	9.48	-38.50
CN(CC1=CC=CC=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001368980	1	43	0.0	-45.47	329.17	9.39	-36.08
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC(=O)NC2=CC=C(Cl)C=C2)C1	REAL300001369118	0	50	0.0	-54.45	410.22	7.74	-46.71
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC(=O)NC2=CC=C(Cl)C=C2)C1	REAL300001369118	1	50	0.0	-53.81	409.31	7.74	-46.07
CS(=O)(=O)NCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001369240	0	48	0.0	-58.64	390.65	4.12	-54.52
CS(=O)(=O)NCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001369240	1	48	0.0	-59.44	390.82	4.12	-55.32
CC(=O)N(CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1)C(C)C	REAL300001369367	0	56	0.0	-55.44	420.61	9.81	-45.63
CC(=O)N(CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1)C(C)C	REAL300001369367	1	56	0.0	-56.27	420.33	9.78	-46.49
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300001369486	0	44	0.0	-49.77	372.94	6.11	-43.66
O=C([O-])C1CCC[N@H+](CC(=O)NCC(O)C2=CC(Cl)=CC(Cl)=C2)C1	REAL300001369486	1	44	0.0	-51.43	379.62	6.03	-45.40
CC1=CC=CC(C2CCCCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001369600	0	56	0.0	-47.79	396.14	12.53	-35.26
CC1=CC=CC(C2CCCCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001369600	1	56	0.0	-46.80	401.87	12.49	-34.31
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1Cl	REAL300001369723	0	43	0.0	-53.22	356.46	9.23	-43.99
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1Cl	REAL300001369723	1	43	0.0	-52.02	356.47	9.20	-42.82
CC(C)(C)CC(O)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001369803	0	49	0.0	-46.41	356.63	4.82	-41.59
CC(C)(C)CC(O)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001369803	1	49	0.0	-44.92	355.48	4.39	-40.53
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NC(C(F)(F)F)=CS2)C1	REAL300001369902	1	39	0.0	-51.97	342.44	5.60	-46.37
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NC(C(F)(F)F)=CS2)C1	REAL300001369902	1	39	0.0	-52.02	342.55	5.59	-46.43
CC(C)N1C2=CC=CC=C2N=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001370035	0	52	0.0	-52.13	391.93	8.94	-43.19
CC(C)N1C2=CC=CC=C2N=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001370035	1	52	0.0	-53.52	398.82	8.99	-44.53
CC1=CC=CC(C2=CC=C(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=C1	REAL300001370167	0	53	0.0	-48.22	406.11	11.48	-36.74
CC1=CC=CC(C2=CC=C(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=C1	REAL300001370167	1	53	0.0	-46.94	404.20	11.04	-35.90
CC1=CC=C(OCC(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001370293	0	50	0.0	-47.79	386.30	8.60	-39.19
CC1=CC=C(OCC(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001370293	1	50	0.0	-47.25	380.81	8.62	-38.63
CC(COC1=CC=C(F)C=C1F)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001370419	0	47	0.0	-50.55	377.54	8.06	-42.49
CC(COC1=CC=C(F)C=C1F)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001370419	1	47	0.0	-49.90	372.04	8.08	-41.82
CC(COC1=CC=CC=C1F)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001370548	0	47	0.0	-49.46	371.12	7.99	-41.47
CC(COC1=CC=CC=C1F)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001370548	1	47	0.0	-46.49	365.63	8.02	-38.47
CC(COC1=CC=CC(F)=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001370672	0	47	0.0	-48.90	371.31	7.99	-40.91
CC(COC1=CC=CC(F)=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001370672	1	47	0.0	-47.78	365.82	8.01	-39.77
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OCC2CCCO2)=C1	REAL300001370931	1	55	0.0	-46.68	413.14	8.24	-38.44
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OCC2CCCO2)=C1	REAL300001370931	1	55	0.0	-46.84	413.66	8.78	-38.06
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)C1	REAL300001371151	0	63	0.0	-51.92	444.96	10.68	-41.24
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)C1	REAL300001371151	1	63	0.0	-56.48	452.43	11.15	-45.33
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C(=O)C3=CC=C4NC=NC4=C3)CC2)C1	REAL300001371248	0	54	0.0	-54.72	404.35	8.31	-46.41
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C(=O)C3=CC=C4NC=NC4=C3)CC2)C1	REAL300001371248	1	54	0.0	-58.14	411.89	8.81	-49.33
CCN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001371359	0	46	0.0	-48.66	385.11	11.37	-37.29
CCN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001371359	1	46	0.0	-46.13	377.61	10.90	-35.23
CC1=CC(C)=CC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001371440	0	46	0.0	-47.99	355.69	10.31	-37.68
CC1=CC(C)=CC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001371440	1	46	0.0	-44.67	348.23	9.85	-34.82
CC1=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300001371547	0	49	0.0	-47.52	377.76	9.37	-38.15
CC1=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300001371547	1	49	0.0	-46.91	378.30	9.37	-37.54
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(NC(=O)N3CCCC3)=C2)C1	REAL300001371729	0	56	0.0	-55.45	432.78	8.29	-47.16
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(NC(=O)N3CCCC3)=C2)C1	REAL300001371729	1	56	0.0	-54.54	425.74	8.32	-46.22
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=CC=C2C(F)(F)F)C1	REAL300001371923	0	46	0.0	-46.79	357.48	8.36	-38.43
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=CC=C2C(F)(F)F)C1	REAL300001371923	1	46	0.0	-48.81	359.33	8.81	-40.00
CC(CC1=CSC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001372018	0	43	0.0	-47.64	346.64	8.13	-39.51
CC(CC1=CSC=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001372018	1	43	0.0	-48.11	341.23	8.12	-39.99
CS(=O)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001372118	1	42	0.0	-66.35	336.74	5.93	-60.42
CS(=O)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001372118	1	42	0.0	-60.49	343.09	5.90	-54.59
CS(=O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001372228	1	42	0.0	-63.95	342.45	5.88	-58.07
CS(=O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001372228	1	42	0.0	-54.95	336.96	5.90	-49.05
COCCOC1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001372347	0	51	0.0	-49.33	394.42	6.93	-42.40
COCCOC1=CC=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001372347	1	51	0.0	-45.73	392.49	6.49	-39.24
CCN(CC)C(=O)C1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300001372467	0	59	0.0	-60.55	404.74	9.68	-50.87
CCN(CC)C(=O)C1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300001372467	1	59	0.0	-58.68	417.91	9.94	-48.74
CCOC1=CC=C(Br)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001372570	1	44	0.0	-48.48	361.91	8.26	-40.22
CCOC1=CC=C(Br)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001372570	1	44	0.0	-48.83	355.64	8.29	-40.54
CC(COC1=CC=C(C(C)(C)C)C=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001372711	0	59	0.0	-47.07	441.06	10.23	-36.84
CC(COC1=CC=C(C(C)(C)C)C=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001372711	1	59	0.0	-46.71	435.57	10.27	-36.44
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3=CC(OC(F)F)=CC=C32)C1	REAL300001372908	0	48	0.0	-54.43	367.26	9.44	-44.99
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3=CC(OC(F)F)=CC=C32)C1	REAL300001372908	1	48	0.0	-56.20	360.50	9.50	-46.70
COCCNC(=O)C1CCC(C)N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001373057	0	57	0.0	-45.59	415.47	6.23	-39.36
COCCNC(=O)C1CCC(C)N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001373057	1	57	0.0	-43.43	402.18	5.93	-37.50
CCCCNC(=O)C1CCC(C)N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001373163	0	59	0.0	-44.89	424.87	8.69	-36.20
CCCCNC(=O)C1CCC(C)N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001373163	1	59	0.0	-42.68	411.58	8.38	-34.30
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2CCCC2)C1	REAL300001373236	0	50	0.0	-42.42	349.41	9.65	-32.77
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2CCCC2)C1	REAL300001373236	1	50	0.0	-46.84	348.09	10.00	-36.84
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300001373423	0	52	0.0	-52.05	391.84	8.00	-44.05
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCCOC2=C1	REAL300001373423	1	52	0.0	-52.85	392.97	8.05	-44.80
C=CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300001373530	0	47	0.0	-58.71	363.06	5.53	-53.18
C=CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300001373530	1	47	0.0	-56.65	356.66	5.52	-51.13
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(CN3C=CC=N3)=C2)C1	REAL300001373649	0	50	0.0	-51.82	400.48	9.07	-42.75
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(CN3C=CC=N3)=C2)C1	REAL300001373649	1	50	0.0	-52.30	394.27	9.04	-43.26
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC(Br)=C3)CCC2)C1	REAL300001373855	0	47	0.0	-47.20	367.88	9.48	-37.72
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC(Br)=C3)CCC2)C1	REAL300001373855	1	47	0.0	-49.72	369.14	10.02	-39.70
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CNN=C3)CC2)C1	REAL300001373942	0	47	0.0	-47.95	347.04	7.07	-40.88
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CNN=C3)CC2)C1	REAL300001373942	1	47	0.0	-50.80	354.52	7.53	-43.27
CC1=CSC(CCCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001374059	0	48	0.0	-51.13	387.15	7.44	-43.69
CC1=CSC(CCCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001374059	1	48	0.0	-51.92	387.79	7.46	-44.46
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001374181	0	52	0.0	-50.69	405.56	10.25	-40.44
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001374181	1	52	0.0	-48.04	397.01	9.78	-38.26
COC1=CC=CC=C1C1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001374292	0	51	0.0	-50.08	378.07	10.16	-39.92
COC1=CC=CC=C1C1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001374292	1	51	0.0	-49.34	384.96	10.25	-39.09
COC1=CC=C(C(C)CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001374410	0	53	0.0	-50.31	402.82	8.59	-41.72
COC1=CC=C(C(C)CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001374410	1	53	0.0	-51.09	403.46	8.61	-42.48
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCCOCC1CCOCC1	REAL300001374568	0	54	0.0	-49.99	408.12	6.19	-43.80
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCCOCC1CCOCC1	REAL300001374568	1	54	0.0	-49.31	407.48	6.17	-43.14
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCCOCC1CCOC1	REAL300001374687	0	51	0.0	-50.51	390.39	5.39	-45.12
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCCOCC1CCOC1	REAL300001374687	1	51	0.0	-49.77	389.41	5.36	-44.41
CC1=CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(C)=C1	REAL300001374785	0	49	0.0	-49.79	374.82	9.49	-40.30
CC1=CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(C)=C1	REAL300001374785	1	49	0.0	-46.59	372.91	9.05	-37.54
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC=C3Br)CC2)C1	REAL300001374891	0	47	0.0	-49.75	381.91	9.81	-39.94
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC=C3Br)CC2)C1	REAL300001374891	1	47	0.0	-45.73	375.93	9.98	-35.75
CCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC(OCC)C12CCCC2	REAL300001374988	0	63	0.0	-47.09	436.48	11.75	-35.34
CCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC(OCC)C12CCCC2	REAL300001374988	1	63	0.0	-47.76	439.96	11.49	-36.27
CS(=O)(=O)C1CSCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001375089	1	44	0.0	-59.81	334.85	5.55	-54.26
CS(=O)(=O)C1CSCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001375089	1	44	0.0	-52.30	336.95	5.76	-46.54
CCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC(OCC)C1(C)C	REAL300001375196	0	59	0.0	-49.18	415.81	10.31	-38.87
CCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC(OCC)C1(C)C	REAL300001375196	1	59	0.0	-42.40	414.46	9.67	-32.73
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC(Br)=C3)CC2)C1	REAL300001375302	0	44	0.0	-45.80	354.89	9.02	-36.78
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC(Br)=C3)CC2)C1	REAL300001375302	1	44	0.0	-49.77	357.80	9.68	-40.09
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC(F)=CC=C1F	REAL300001375401	0	46	0.0	-47.02	351.91	8.58	-38.44
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC(F)=CC=C1F	REAL300001375401	1	46	0.0	-50.40	361.89	9.70	-40.70
CCCCS(=O)(=O)NC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001375503	0	54	0.0	-61.92	426.36	6.43	-55.49
CCCCS(=O)(=O)NC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001375503	1	54	0.0	-60.88	432.58	6.38	-54.50
CS(=O)(=O)C1CCCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001375614	0	49	0.0	-59.41	373.32	4.85	-54.56
CS(=O)(=O)C1CCCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001375614	1	49	0.0	-58.05	367.86	4.87	-53.18
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(F)C=C2OCC2CC2)C1	REAL300001375732	1	48	0.0	-47.10	373.27	9.31	-37.79
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(F)C=C2OCC2CC2)C1	REAL300001375732	1	48	0.0	-47.07	371.62	8.89	-38.18
CC(O)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CSC=C1	REAL300001375841	0	44	0.0	-47.77	345.86	4.51	-43.26
CC(O)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CSC=C1	REAL300001375841	1	44	0.0	-48.98	352.09	4.53	-44.45
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=C(Cl)C=C2)C(F)(F)F)C1	REAL300001375948	1	43	0.0	-51.63	359.33	9.10	-42.53
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=C(Cl)C=C2)C(F)(F)F)C1	REAL300001375948	1	43	0.0	-51.89	364.81	9.08	-42.81
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC(COCC1=CC=CC=C1)C1=CC=CC=C1	REAL300001376038	0	57	0.0	-50.48	442.51	11.78	-38.70
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC(COCC1=CC=CC=C1)C1=CC=CC=C1	REAL300001376038	1	57	0.0	-49.56	447.95	11.73	-37.83
CC1=CC=CC(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001376130	0	53	0.0	-48.74	384.59	11.93	-36.81
CC1=CC=CC(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001376130	1	53	0.0	-44.32	382.68	11.41	-32.91
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC2=CC=CC=C2)C2=CC=CC=C2F)C1	REAL300001376235	0	53	0.0	-53.18	413.88	12.70	-40.48
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC2=CC=CC=C2)C2=CC=CC=C2F)C1	REAL300001376235	1	53	0.0	-49.13	413.04	12.24	-36.89
CC(C)(CC1=CC=CC(Br)=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001376394	0	49	0.0	-50.14	378.25	9.71	-40.43
CC(C)(CC1=CC=CC(Br)=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001376394	1	49	0.0	-50.12	378.38	9.75	-40.37
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)(C)C1=CC=CC=C1	REAL300001376486	0	55	0.0	-46.51	391.57	10.67	-35.84
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)(C)C1=CC=CC=C1	REAL300001376486	1	55	0.0	-46.00	386.14	10.73	-35.27
CCNC(=O)N1CCC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C21	REAL300001376605	0	53	0.0	-53.03	399.82	7.60	-45.43
CCNC(=O)N1CCC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C21	REAL300001376605	1	53	0.0	-52.53	400.92	8.03	-44.50
CC1=C(CSC(C)C)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001376732	0	53	0.0	-50.13	409.21	11.41	-38.72
CC1=C(CSC(C)C)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001376732	1	53	0.0	-50.32	403.73	11.44	-38.88
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2CC(F)(F)F)C1	REAL300001376850	0	43	0.0	-48.97	340.43	9.56	-39.41
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2CC(F)(F)F)C1	REAL300001376850	1	43	0.0	-48.29	338.71	9.11	-39.18
CC1=C(C2=CC=CC=C2)N=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001376965	0	52	0.0	-52.82	413.39	9.46	-43.36
CC1=C(C2=CC=CC=C2)N=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001376965	1	52	0.0	-50.07	411.51	9.02	-41.05
CNS(=O)(=O)C1=CC=C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300001377176	0	49	0.0	-62.67	385.44	5.64	-57.03
CNS(=O)(=O)C1=CC=C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300001377176	1	49	0.0	-54.31	383.53	5.19	-49.12
CCNS(=O)(=O)C1=CC=C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300001377284	0	52	0.0	-59.56	406.47	6.50	-53.06
CCNS(=O)(=O)C1=CC=C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300001377284	1	52	0.0	-53.98	404.57	6.04	-47.94
COC1=CC=CC=C1C1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001377437	0	57	0.0	-49.82	441.76	11.31	-38.51
COC1=CC=CC=C1C1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001377437	1	57	0.0	-50.13	436.27	11.33	-38.80
CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300001377573	0	50	0.0	-50.71	379.57	8.89	-41.82
CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300001377573	1	50	0.0	-50.37	374.03	8.94	-41.43
CC1=CC=C(NS(C)(=O)=O)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001377688	0	48	0.0	-58.22	381.69	4.91	-53.31
CC1=CC=C(NS(C)(=O)=O)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001377688	1	48	0.0	-55.57	376.40	4.93	-50.64
CC1=CC=C(N2CCC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=O)C=C1	REAL300001377807	0	51	0.0	-56.88	392.74	8.56	-48.32
CC1=CC=C(N2CCC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=O)C=C1	REAL300001377807	1	51	0.0	-57.67	393.80	8.56	-49.11
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCN(C3=CC=CC=C3Cl)C2=O)C1	REAL300001377925	0	51	0.0	-57.15	410.05	9.52	-47.63
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCN(C3=CC=CC=C3Cl)C2=O)C1	REAL300001377925	1	51	0.0	-55.26	408.76	9.50	-45.76
CCCC(CCC1=CC=CC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001378038	0	55	0.0	-48.94	414.16	11.31	-37.63
CCCC(CCC1=CC=CC=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001378038	1	55	0.0	-47.96	408.62	11.35	-36.61
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCCOC1CCOCC1	REAL300001378160	0	51	0.0	-50.29	386.91	5.48	-44.81
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCCOC1CCOCC1	REAL300001378160	1	51	0.0	-49.69	386.23	5.46	-44.23
CN(C)C(=O)C1=CC=CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001378312	0	53	0.0	-57.48	404.56	7.99	-49.49
CN(C)C(=O)C1=CC=CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001378312	1	53	0.0	-53.50	400.92	7.57	-45.93
CN(C)C(=O)NC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001378443	0	52	0.0	-49.64	399.94	7.08	-42.56
CN(C)C(=O)NC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001378443	1	52	0.0	-56.60	404.92	7.19	-49.41
C#CCOC1=CC(F)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001378559	1	43	0.0	-48.25	346.53	8.29	-39.96
C#CCOC1=CC(F)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001378559	1	43	0.0	-48.29	345.73	7.85	-40.44
COC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001378673	0	47	0.0	-48.94	380.12	7.87	-41.07
COC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001378673	1	47	0.0	-47.61	377.40	7.43	-40.18
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1S(C)(=O)=O	REAL300001378795	1	52	0.0	-51.87	369.32	6.37	-45.50
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1S(C)(=O)=O	REAL300001378795	1	52	0.0	-52.57	382.21	7.07	-45.50
COCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC)C(OC)=C1	REAL300001378900	0	55	0.0	-54.94	423.10	8.10	-46.84
COCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC)C(OC)=C1	REAL300001378900	1	55	0.0	-45.42	412.70	8.02	-37.40
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CC(=O)N(CCOC2=CC=CC=C2)C1	REAL300001379007	0	55	0.0	-57.36	425.24	8.18	-49.18
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CC(=O)N(CCOC2=CC=CC=C2)C1	REAL300001379007	1	55	0.0	-56.89	430.67	8.15	-48.74
C#CCOC1=CC=C(F)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001379134	1	43	0.0	-50.89	346.53	8.28	-42.61
C#CCOC1=CC=C(F)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001379134	1	43	0.0	-50.49	352.82	8.26	-42.23
CCOC1CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C12CCC2	REAL300001379240	0	51	0.0	-44.35	383.62	8.05	-36.30
CCOC1CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C12CCC2	REAL300001379240	1	51	0.0	-49.73	384.28	7.77	-41.96
CC1(C)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CCCOC21	REAL300001379350	0	51	0.0	-45.39	361.62	8.66	-36.73
CC1(C)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CCCOC21	REAL300001379350	1	51	0.0	-49.12	371.20	7.33	-41.79
C=CCN(CC1=CC=CS1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001379498	0	44	0.0	-43.44	350.81	9.64	-33.80
C=CCN(CC1=CC=CS1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001379498	1	44	0.0	-44.00	348.95	9.58	-34.42
COCCN(CC1=CC=CS1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001379597	0	47	0.0	-41.32	363.58	8.60	-32.72
COCCN(CC1=CC=CS1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001379597	1	47	0.0	-42.95	367.92	8.95	-34.00
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=C(Cl)C=C2)C1	REAL300001379711	0	44	0.0	-49.95	363.33	7.56	-42.39
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=C(Cl)C=C2)C1	REAL300001379711	1	44	0.0	-49.24	357.13	7.54	-41.70
CC(C)(C)C1=CC=C(OCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001379839	0	56	0.0	-48.16	422.13	9.34	-38.82
CC(C)(C)C1=CC=C(OCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001379839	1	56	0.0	-48.35	422.77	9.36	-38.99
CCN(CC1=CC=C2OCOC2=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001380001	0	49	0.0	-50.05	379.25	9.06	-40.99
CCN(CC1=CC=C2OCOC2=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001380001	1	49	0.0	-47.67	371.75	8.59	-39.08
CN(CC1=CC=C2OCOC2=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001380139	0	46	0.0	-50.22	359.29	8.14	-42.08
CN(CC1=CC=C2OCOC2=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001380139	1	46	0.0	-48.22	352.27	7.67	-40.55
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)C1	REAL300001380263	0	50	0.0	-58.70	397.81	11.96	-46.74
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3C=NC4=CC=CC=C43)C=C2)C1	REAL300001380263	1	50	0.0	-57.92	397.61	11.96	-45.96
CC(=O)N1CCC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300001380387	0	48	0.0	-54.62	360.60	7.75	-46.87
CC(=O)N1CCC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300001380387	1	48	0.0	-56.29	363.72	8.34	-47.95
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CS2)CC2=CC=CS2)C1	REAL300001380504	0	47	0.0	-45.60	381.52	10.98	-34.62
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CS2)CC2=CC=CS2)C1	REAL300001380504	1	47	0.0	-44.80	391.24	11.52	-33.28
COCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300001380608	1	50	0.0	-61.94	378.20	4.24	-57.70
COCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCS(=O)(=O)C1	REAL300001380608	1	50	0.0	-60.50	381.42	5.14	-55.36
O=C([O-])C1CCC[N@H+](CC(=O)NCCSCC2=CC=CC=C2)C1	REAL300001380724	0	47	0.0	-51.40	382.90	9.54	-41.86
O=C([O-])C1CCC[N@@H+](CC(=O)NCCSCC2=CC=CC=C2)C1	REAL300001380724	1	47	0.0	-50.74	382.26	9.52	-41.22
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(N2C=NC=N2)C=C1	REAL300001380877	0	49	0.0	-57.09	386.83	10.77	-46.32
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(N2C=NC=N2)C=C1	REAL300001380877	1	49	0.0	-55.75	381.37	10.79	-44.96
CC1=CC=C(CSCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001381007	0	50	0.0	-50.73	403.66	10.20	-40.53
CC1=CC=C(CSCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001381007	1	50	0.0	-51.39	404.31	10.22	-41.17
O=C([O-])C1CCC[N@H+](CC(=O)NCCSCC2=CC=CC=C2F)C1	REAL300001381135	0	47	0.0	-52.17	388.21	9.58	-42.59
O=C([O-])C1CCC[N@@H+](CC(=O)NCCSCC2=CC=CC=C2F)C1	REAL300001381135	1	47	0.0	-51.72	387.57	9.55	-42.17
CC(C1=CC=C(N2C=NC=N2)C=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001381255	0	52	0.0	-55.50	398.78	12.93	-42.57
CC(C1=CC=C(N2C=NC=N2)C=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001381255	1	52	0.0	-54.71	400.07	12.98	-41.73
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(OC(F)F)C=C2)C1	REAL300001381440	0	47	0.0	-53.79	377.46	7.77	-46.02
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(OC(F)F)C=C2)C1	REAL300001381440	1	47	0.0	-53.88	371.25	7.75	-46.13
CCCCC1=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300001381663	0	58	0.0	-48.87	432.47	12.84	-36.03
CCCCC1=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300001381663	1	58	0.0	-49.46	437.43	12.78	-36.68
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2CCCCC2=C1	REAL300001381786	0	53	0.0	-47.79	396.25	10.75	-37.04
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2CCCCC2=C1	REAL300001381786	1	53	0.0	-48.29	397.46	10.78	-37.51
O=C([O-])C1CCC[N@H+](CC(=O)NCCSC2=CC=C(Cl)C=C2)C1	REAL300001381916	0	44	0.0	-52.06	373.72	9.16	-42.90
O=C([O-])C1CCC[N@@H+](CC(=O)NCCSC2=CC=C(Cl)C=C2)C1	REAL300001381916	1	44	0.0	-51.39	367.52	9.14	-42.25
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=CC3=CC=CC=C32)C1	REAL300001382046	0	50	0.0	-50.46	391.64	9.37	-41.09
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=CC3=CC=CC=C32)C1	REAL300001382046	1	50	0.0	-50.22	391.00	9.35	-40.87
CCOC1CC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C12CCCCC2	REAL300001382186	0	60	0.0	-44.97	411.95	10.52	-34.45
CCOC1CC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C12CCCCC2	REAL300001382186	1	60	0.0	-45.62	414.26	10.96	-34.66
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300001382291	0	49	0.0	-50.66	369.12	7.35	-43.31
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300001382291	1	49	0.0	-51.25	369.02	7.37	-43.88
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=CC=C2C2=CC=CC=C2)C1	REAL300001382407	0	54	0.0	-50.82	425.32	10.79	-40.03
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=CC=C2C2=CC=CC=C2)C1	REAL300001382407	1	54	0.0	-50.48	424.68	10.77	-39.71
CC1=CC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C(C)O1	REAL300001382494	0	46	0.0	-48.81	351.04	7.81	-41.00
CC1=CC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C(C)O1	REAL300001382494	1	46	0.0	-48.18	351.08	7.81	-40.37
CC(=O)NC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001382671	0	50	0.0	-55.57	388.36	7.06	-48.51
CC(=O)NC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001382671	1	50	0.0	-53.31	386.17	6.63	-46.68
CCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1S(N)(=O)=O	REAL300001382801	1	48	0.0	-58.50	373.66	3.78	-54.72
CCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1S(N)(=O)=O	REAL300001382801	1	48	0.0	-62.34	370.44	3.86	-58.48
COC1=CC=C(C(=O)N2CCCC2)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001382957	1	55	0.0	-56.44	413.65	7.70	-48.74
COC1=CC=C(C(=O)N2CCCC2)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001382957	1	55	0.0	-51.10	405.86	7.75	-43.35
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=NNC=C21	REAL300001383038	0	43	0.0	-49.66	330.77	6.28	-43.38
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=NNC=C21	REAL300001383038	1	43	0.0	-50.34	331.59	6.72	-43.62
CC(C)CC(=O)N1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001383152	0	56	0.0	-53.27	406.74	8.06	-45.21
CC(C)CC(=O)N1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001383152	1	56	0.0	-54.17	413.45	8.11	-46.06
CCNC(=O)C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001383273	0	50	0.0	-55.65	373.67	6.53	-49.12
CCNC(=O)C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001383273	1	50	0.0	-56.40	374.05	6.54	-49.86
CC(CC(C)(C)C1=CC=CC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001383393	0	55	0.0	-48.67	400.03	11.29	-37.38
CC(CC(C)(C)C1=CC=CC=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001383393	1	55	0.0	-48.11	394.61	11.32	-36.79
CCNC(=O)NC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001383522	0	49	0.0	-52.96	383.02	5.64	-47.32
CCNC(=O)NC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001383522	1	49	0.0	-54.67	377.29	5.69	-48.98
CCCN1C=CC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300001383653	0	50	0.0	-48.89	380.96	10.31	-38.58
CCCN1C=CC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300001383653	1	50	0.0	-53.49	382.05	10.73	-42.76
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCCC3=CC=CC=C32)C1	REAL300001383779	0	50	0.0	-49.07	363.68	10.27	-38.80
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCCC3=CC=CC=C32)C1	REAL300001383779	1	50	0.0	-48.69	363.35	10.68	-38.01
C#CCN(CC1=CC=C(F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001383889	0	45	0.0	-47.77	361.48	11.07	-36.70
C#CCN(CC1=CC=C(F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001383889	1	45	0.0	-47.46	359.11	10.54	-36.92
COCCN(CCCC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001383996	0	56	0.0	-44.30	426.17	11.38	-32.92
COCCN(CCCC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001383996	1	56	0.0	-45.92	420.70	11.40	-34.52
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(CN3CCC4=CC=CC=C43)C=C2)C1	REAL300001384102	0	56	0.0	-52.08	425.40	10.64	-41.44
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(CN3CCC4=CC=CC=C43)C=C2)C1	REAL300001384102	1	56	0.0	-51.18	419.08	10.67	-40.51
C#CCN(CC1=CC=CO1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001384161	0	42	0.0	-53.36	335.90	9.09	-44.27
C#CCN(CC1=CC=CO1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001384161	1	42	0.0	-45.43	335.88	8.68	-36.75
C#CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300001384214	0	48	0.0	-47.90	351.32	10.20	-37.70
C#CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300001384214	1	48	0.0	-43.16	350.52	9.74	-33.42
CC(C1=CC=CC(S(N)(=O)=O)=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001384303	0	51	0.0	-54.08	390.51	4.18	-49.90
CC(C1=CC=CC(S(N)(=O)=O)=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001384303	1	51	0.0	-53.17	389.58	4.16	-49.01
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C3OCCCOC3=C2)C1	REAL300001384414	0	49	0.0	-52.89	379.55	7.37	-45.52
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C3OCCCOC3=C2)C1	REAL300001384414	1	49	0.0	-50.33	373.34	7.35	-42.98
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(=O)NCC1=CC=CO1	REAL300001384542	0	47	0.0	-50.26	375.33	4.88	-45.38
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(=O)NCC1=CC=CO1	REAL300001384542	1	47	0.0	-50.64	376.51	4.91	-45.73
CCC(C)NC(=O)C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001384633	0	49	0.0	-48.85	375.93	5.52	-43.33
CCC(C)NC(=O)C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001384633	1	49	0.0	-49.51	377.09	5.55	-43.96
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=C1Cl	REAL300001385864	0	47	0.0	-85.61	382.64	11.10	-74.51
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1Cl	REAL300001386551	0	44	0.0	-76.68	367.00	10.56	-66.12
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1Cl	REAL300001386551	1	44	0.0	-74.66	359.27	10.01	-64.65
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C1Cl	REAL300001387457	0	41	0.0	-78.63	335.38	8.94	-69.69
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=C1Cl	REAL300001387485	0	38	0.0	-70.77	314.09	8.20	-62.57
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+]2C2CC2)C=C1Cl	REAL300001387485	1	38	0.0	-71.61	313.84	8.25	-63.36
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)CN12	REAL300001387491	1	39	0.0	-70.83	329.90	8.62	-62.21
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CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)CC2)=CS1	REAL300001387569	1	46	0.0	-84.47	389.66	8.80	-75.67
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)N1CC[NH+](C)CC1	REAL300001387570	1	42	0.0	-75.89	334.73	5.72	-70.17
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300001387652	0	50	0.0	-79.65	415.78	10.64	-69.01
CC1(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300001387665	0	50	0.0	-75.09	395.25	11.52	-63.57
C[N@H+](CCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1CCCCC1	REAL300001387753	0	46	0.0	-80.14	360.19	9.48	-70.66
C[N@@H+](CCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1CCCCC1	REAL300001387753	1	46	0.0	-80.13	360.19	9.46	-70.67
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C=C1Cl	REAL300001387774	1	44	0.0	-78.04	365.75	10.07	-67.97
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C=C1Cl	REAL300001387774	1	44	0.0	-80.64	371.94	10.60	-70.04
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C1Cl	REAL300001387827	0	40	0.0	-81.47	350.28	8.50	-72.97
O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1Cl	REAL300001387852	0	47	0.0	-71.63	358.74	9.65	-61.98
O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1Cl	REAL300001387852	1	47	0.0	-71.50	358.97	9.70	-61.80
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CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001387884	1	38	0.0	-75.26	332.74	8.79	-66.47
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CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1)C(C)C	REAL300001387887	0	49	0.0	-80.42	387.49	10.99	-69.43
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1)C(C)C	REAL300001387887	1	49	0.0	-80.51	379.54	10.56	-69.95
O=C([O-])C1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300001387915	0	44	0.0	-79.12	364.89	10.26	-68.86
O=C([O-])C1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300001387915	1	44	0.0	-79.82	366.84	10.36	-69.46
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C=C1Cl	REAL300001387916	0	45	0.0	-86.07	361.32	9.50	-76.57
C[NH+]1CCN(C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C2=CC=CC=C2)CC1	REAL300001387943	1	49	0.0	-67.82	387.62	8.29	-59.53
O=C([O-])C1=CC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C1Cl	REAL300001387944	0	48	0.0	-82.47	354.69	7.54	-74.93
CCC(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)[NH+](CC)CC	REAL300001387948	0	42	0.0	-70.71	323.06	8.01	-62.70
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001387950	1	43	0.0	-79.01	356.51	9.87	-69.14
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001387950	1	43	0.0	-78.70	356.44	9.86	-68.84
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C=C1Cl	REAL300001387960	0	50	0.0	-81.65	404.95	11.93	-69.72
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C=C1Cl	REAL300001387960	1	50	0.0	-73.86	399.09	12.15	-61.71
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300001387986	0	39	0.0	-81.54	335.31	7.90	-73.64
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001387996	0	48	0.0	-79.05	379.92	9.81	-69.24
O=C([O-])C1=CC=C(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C=C1Cl	REAL300001387997	1	48	0.0	-76.83	389.81	7.83	-69.00
CC[N@H+](C)C(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1=CC=CC=C1	REAL300001387998	1	43	0.0	-74.34	348.78	9.81	-64.53
CC[N@@H+](C)C(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1=CC=CC=C1	REAL300001387998	1	43	0.0	-74.83	349.99	9.82	-65.01
CC[NH+](CC)C(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1=CC=CC=C1	REAL300001388003	0	46	0.0	-75.03	360.22	10.12	-64.91
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388011	1	38	0.0	-72.01	327.41	8.61	-63.40
C[NH+](C)C(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1=CC=C(Cl)C=C1	REAL300001388015	1	40	0.0	-78.08	353.25	9.89	-68.19
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1Cl	REAL300001388028	0	44	0.0	-83.39	364.66	10.51	-72.88
O=C([O-])C1=CC=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=C1Cl	REAL300001388035	0	47	0.0	-77.27	381.42	11.21	-66.06
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)CC2)CC1	REAL300001388041	0	55	0.0	-81.93	412.20	8.60	-73.33
O=C([O-])C1=CC=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1Cl	REAL300001388060	1	48	0.0	-88.83	389.02	10.31	-78.52
O=C([O-])C1=CC=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1Cl	REAL300001388060	1	48	0.0	-89.80	389.39	10.30	-79.50
O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=C1Cl	REAL300001388073	0	47	0.0	-75.53	370.78	10.85	-64.68
O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=C1Cl	REAL300001388073	1	47	0.0	-75.86	370.96	10.86	-65.00
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=NN1C1=CC=[NH+]C=C1	REAL300001388075	1	38	0.0	-82.99	337.23	7.78	-75.21
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1Cl	REAL300001388083	0	47	0.0	-83.47	381.40	11.22	-72.25
O=C([O-])C1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1Cl	REAL300001388096	1	40	0.0	-80.52	345.12	7.98	-72.54
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300001388097	0	43	0.0	-84.77	362.34	10.21	-74.56
O=C([O-])C1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1Cl	REAL300001388109	1	45	0.0	-87.28	376.16	9.81	-77.47
O=C([O-])C1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1Cl	REAL300001388109	1	45	0.0	-82.97	369.18	9.65	-73.32
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)CC(C)(C)C	REAL300001388169	0	42	0.0	-78.20	330.49	8.30	-69.90
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)CC(C)(C)C	REAL300001388169	1	42	0.0	-77.53	332.33	8.47	-69.06
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388171	0	43	0.0	-81.95	360.90	10.32	-71.63
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388171	1	43	0.0	-82.46	360.92	10.33	-72.13
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388172	0	47	0.0	-79.39	389.66	6.49	-72.90
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388172	1	47	0.0	-80.55	389.95	6.51	-74.04
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388193	0	45	0.0	-79.40	365.49	9.64	-69.76
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388193	1	45	0.0	-80.03	365.51	9.65	-70.38
O=C([O-])C1=CC=C(NC(=O)C23CCC[NH+]2CCC3)C=C1Cl	REAL300001388203	0	38	0.0	-76.31	306.01	7.82	-68.49
O=C([O-])C1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C1Cl	REAL300001388211	1	32	0.0	-81.85	291.80	9.41	-72.44
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1CCSC1	REAL300001388228	1	38	0.0	-83.25	321.26	8.12	-75.13
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1CCSC1	REAL300001388228	1	38	0.0	-82.61	321.04	8.12	-74.49
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300001388241	0	48	0.0	-77.45	377.14	7.05	-70.40
CC(C)N1CC[NH+](CCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300001388241	1	48	0.0	-80.62	373.61	6.85	-73.77
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300001388242	0	51	0.0	-73.94	398.63	7.86	-66.08
CC(C)N1CC[NH+](CCCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300001388242	1	51	0.0	-79.11	394.93	7.65	-71.46
O=C([O-])C1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C=C1Cl	REAL300001388243	0	41	0.0	-74.45	318.04	8.44	-66.01
O=C([O-])C1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C=C1Cl	REAL300001388243	1	41	0.0	-70.09	326.42	8.70	-61.39
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300001388245	0	40	0.0	-83.36	345.69	7.39	-75.97
O=C([O-])C1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C1Cl	REAL300001388253	0	49	0.0	-85.04	394.57	9.22	-75.82
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C=C1Cl	REAL300001388254	0	46	0.0	-81.69	371.40	9.49	-72.20
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C=C1Cl	REAL300001388254	1	46	0.0	-81.34	371.43	9.52	-71.82
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001388259	1	44	0.0	-77.12	357.46	10.38	-66.74
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001388259	1	44	0.0	-77.84	359.90	10.27	-67.57
O=C([O-])C1=CC=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300001388282	0	47	0.0	-82.97	386.91	11.10	-71.87
O=C([O-])C1=CC=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300001388282	1	47	0.0	-84.36	387.35	11.10	-73.26
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=N1	REAL300001388297	0	40	0.0	-87.03	346.38	7.39	-79.64
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388298	0	40	0.0	-80.78	335.49	7.78	-73.00
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388304	1	41	0.0	-71.78	347.74	9.08	-62.70
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC[N@@H+]1C	REAL300001388307	0	40	0.0	-79.34	318.72	7.51	-71.83
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC[N@H+]1C	REAL300001388307	1	40	0.0	-77.97	323.79	7.92	-70.05
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1	REAL300001388310	1	41	0.0	-82.99	347.22	6.96	-76.03
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=NN1	REAL300001388310	1	41	0.0	-81.74	347.93	6.93	-74.81
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300001388319	1	38	0.0	-86.82	313.31	6.97	-79.85
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300001388319	1	38	0.0	-90.88	312.78	6.56	-84.32
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C=C1Cl	REAL300001388325	0	47	0.0	-81.41	389.26	11.14	-70.27
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C=C1Cl	REAL300001388325	1	47	0.0	-77.24	382.91	11.35	-65.89
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388331	1	41	0.0	-80.01	333.33	6.60	-73.41
O=C([O-])C1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C=C1Cl	REAL300001388332	0	48	0.0	-85.07	392.32	8.63	-76.44
CC1CC[NH+](CC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300001388342	1	40	0.0	-79.34	324.67	8.37	-70.97
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300001388357	1	38	0.0	-85.82	316.61	6.91	-78.91
CC[N@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300001388357	1	38	0.0	-78.70	309.51	6.71	-71.99
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300001388396	1	47	0.0	-85.43	383.37	9.43	-76.00
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388403	0	40	0.0	-80.18	328.87	8.39	-71.79
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388403	1	40	0.0	-76.94	323.71	7.90	-69.04
O=C([O-])C1=CC=C(NC(=O)C23CCC[NH+](CCC2)C3)C=C1Cl	REAL300001388416	0	41	0.0	-76.71	319.26	8.06	-68.65
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388420	1	38	0.0	-81.72	309.71	4.00	-77.72
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388420	1	38	0.0	-83.70	308.69	3.83	-79.87
O=C([O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=C1Cl	REAL300001388421	0	41	0.0	-73.28	322.45	8.37	-64.91
O=C([O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C=C1Cl	REAL300001388421	1	41	0.0	-72.19	329.57	8.81	-63.38
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388429	0	44	0.0	-75.72	342.48	6.94	-68.78
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300001388434	0	47	0.0	-88.92	378.43	8.25	-80.67
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=N1	REAL300001388434	1	47	0.0	-87.51	375.89	8.45	-79.06
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)=C2)CC1	REAL300001388439	0	49	0.0	-74.65	398.15	8.79	-65.86
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)CC1	REAL300001388440	0	49	0.0	-80.89	398.49	8.79	-72.10
CN1CC[NH+](CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)CC1	REAL300001388440	1	49	0.0	-84.46	397.93	8.67	-75.79
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388581	0	40	0.0	-73.37	319.07	7.76	-65.61
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300001388582	0	40	0.0	-78.39	339.53	9.37	-69.02
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300001388583	0	47	0.0	-75.33	376.47	11.24	-64.09
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300001388583	1	47	0.0	-75.38	376.54	11.28	-64.10
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300001388651	0	39	0.0	-83.29	330.81	8.68	-74.61
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388653	0	43	0.0	-72.02	342.33	8.91	-63.11
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388653	1	43	0.0	-73.96	333.28	8.69	-65.27
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388654	0	40	0.0	-63.90	332.27	9.60	-54.30
CC(C)C(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)[NH+]1CCCCC1	REAL300001388657	0	46	0.0	-74.16	351.28	9.90	-64.26
C[NH+](C)C(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)C1=CC=CC=C1	REAL300001388658	1	40	0.0	-73.81	336.51	9.37	-64.44
O=C([O-])C1=CC=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300001388662	0	45	0.0	-76.47	375.56	7.34	-69.13
O=C([O-])C1=CC=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=C1Cl	REAL300001388662	1	45	0.0	-75.97	374.63	7.30	-68.67
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388668	1	41	0.0	-71.36	347.17	9.03	-62.33
C[NH+](C)CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)OC2=CC=CC=C21	REAL300001388669	0	43	0.0	-68.12	366.69	9.73	-58.39
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1Cl	REAL300001388675	0	44	0.0	-78.21	338.20	8.98	-69.23
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1Cl	REAL300001388675	1	44	0.0	-77.22	340.18	9.18	-68.04
CC(C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)[NH+]1CCCCCC1	REAL300001388705	0	43	0.0	-73.59	331.24	8.31	-65.28
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C1N2	REAL300001388742	1	45	0.0	-81.86	374.66	9.79	-72.07
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)=CC=C1N2	REAL300001388742	1	45	0.0	-81.65	374.55	9.79	-71.86
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300001388797	0	43	0.0	-81.08	360.72	9.07	-72.01
O=C([O-])C1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C=C1Cl	REAL300001388798	0	43	0.0	-78.50	353.10	9.19	-69.31
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)CC2)[NH+]=C1	REAL300001388800	1	46	0.0	-75.34	375.58	8.94	-66.40
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)CC1=CC=CC=C1	REAL300001388801	1	40	0.0	-82.98	338.42	9.48	-73.50
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1)CC1=CC=CC=C1	REAL300001388801	1	40	0.0	-83.74	338.50	9.48	-74.26
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=NO1	REAL300001388853	1	36	0.0	-81.92	319.79	6.85	-75.07
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388857	0	47	0.0	-85.27	386.49	10.85	-74.42
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388857	1	47	0.0	-80.73	382.34	10.97	-69.76
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388874	0	40	0.0	-74.85	313.79	7.95	-66.90
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001388874	1	40	0.0	-72.00	320.46	8.00	-64.00
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300001388881	0	48	0.0	-84.15	404.17	10.33	-73.82
C[NH+]1CCC(OCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300001388901	0	41	0.0	-83.94	341.72	7.89	-76.05
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1Cl	REAL300001388906	0	44	0.0	-81.19	366.77	9.47	-71.72
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)[C@@H](C(F)(F)F)C1	REAL300001388950	0	46	0.0	-81.03	375.82	9.07	-71.96
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)[C@@H](C(F)(F)F)C1	REAL300001388950	1	46	0.0	-78.89	374.15	9.12	-69.77
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300001389101	0	43	0.0	-70.85	339.53	9.10	-61.75
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300001389101	1	43	0.0	-76.54	345.77	8.89	-67.65
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001389134	0	43	0.0	-75.67	340.51	8.55	-67.12
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300001389134	1	43	0.0	-72.57	346.12	8.97	-63.60
O=C([O-])C1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1Cl	REAL300001389135	1	41	0.0	-80.25	335.50	5.06	-75.19
O=C([O-])C1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C1Cl	REAL300001389234	0	48	0.0	-86.45	390.18	11.34	-75.11
O=C([O-])C1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C1Cl	REAL300001389234	1	48	0.0	-82.94	391.68	11.39	-71.55
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300001389363	0	43	0.0	-69.91	334.68	8.86	-61.05
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300001389363	1	43	0.0	-69.73	334.18	8.86	-60.87
C[N@@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(F)(F)F)C1	REAL300001389364	0	37	0.0	-86.51	325.41	7.63	-78.88
C[N@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C(C(F)(F)F)C1	REAL300001389364	1	37	0.0	-83.18	318.21	7.52	-75.66
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)N1	REAL300001389387	1	38	0.0	-73.36	332.00	7.17	-66.19
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300001389879	0	43	0.0	-78.95	362.01	10.21	-68.74
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300001389886	0	44	0.0	-81.80	369.64	9.14	-72.66
O=C([O-])C1=CC=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1Cl	REAL300001389987	0	50	0.0	-75.96	401.47	11.81	-64.15
CC1CN(CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)CCO1	REAL300001389989	0	48	0.0	-86.05	386.90	9.54	-76.51
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)CCO1	REAL300001389989	1	48	0.0	-86.08	387.28	9.53	-76.55
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C(Cl)=C3)C=C2)CCO1	REAL300001389989	1	48	0.0	-86.08	387.28	9.53	-76.55
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300001390034	0	43	0.0	-70.60	334.00	8.58	-62.02
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300001390100	0	46	0.0	-76.69	363.04	9.60	-67.09
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300001390100	1	46	0.0	-76.69	363.04	9.60	-67.09
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300001390101	0	40	0.0	-70.25	317.53	8.34	-61.91
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300001390101	1	40	0.0	-70.25	317.53	8.34	-61.91
CN(C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300001390107	0	37	0.0	-83.93	324.88	7.60	-76.33
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)O1	REAL300001390107	1	37	0.0	-83.93	324.88	7.60	-76.33
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300001390113	0	46	0.0	-78.84	351.82	8.99	-69.85
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300001390113	1	46	0.0	-78.84	351.82	8.99	-69.85
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)CN3C2CC2)C=C1Cl	REAL300001390116	0	39	0.0	-73.69	319.52	8.61	-65.08
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1Cl	REAL300001390116	1	39	0.0	-78.17	318.34	8.89	-69.28
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1Cl	REAL300001390116	1	39	0.0	-78.17	318.34	8.89	-69.28
O=C([O-])CCNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300001391881	1	40	0.0	-66.83	337.58	7.92	-58.91
O=C([O-])CCNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300001391881	1	40	0.0	-66.89	337.92	7.94	-58.95
CC1=NC(C[NH+]2CCC(C(=O)NCCC(=O)[O-])CC2)=CS1	REAL300001391935	1	42	0.0	-74.58	344.47	5.70	-68.88
C[NH+](C)CCOC1=CC=C(CCC(=O)NCCC(=O)[O-])C=C1	REAL300001391957	0	46	0.0	-75.50	370.01	7.45	-68.05
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCC(=O)[O-])=C1	REAL300001391962	0	46	0.0	-77.00	370.80	9.77	-67.23
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCC(=O)[O-])=C1	REAL300001391962	1	46	0.0	-76.22	370.81	9.78	-66.44
CC1(C(=O)NCCC(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300001391963	0	46	0.0	-65.31	349.69	8.35	-56.96
O=C([O-])CCNC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001391982	0	43	0.0	-64.68	352.79	8.23	-56.45
O=C([O-])CCNC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001391982	1	43	0.0	-63.62	351.49	8.08	-55.54
O=C([O-])CCNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300001392003	1	43	0.0	-64.59	341.02	7.93	-56.66
O=C([O-])CCNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300001392003	1	43	0.0	-64.57	340.99	7.91	-56.66
C[NH+](C)CCN1N=CC(C(=O)NCCC(=O)[O-])=C1C1=CC=CC=C1	REAL300001392035	0	46	0.0	-78.02	369.23	7.45	-70.57
C[NH+]1CCN(C(C(=O)NCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300001392072	1	45	0.0	-66.76	349.35	5.99	-60.77
O=C([O-])CCNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001392077	0	46	0.0	-71.70	359.59	8.76	-62.94
O=C([O-])CCNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001392077	1	46	0.0	-71.71	359.57	8.76	-62.95
O=C([O-])CCNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300001392101	1	44	0.0	-61.31	343.85	4.64	-56.67
CCN1CCC([NH+]2CCC(C(=O)NCCC(=O)[O-])CC2)CC1	REAL300001392109	0	51	0.0	-72.51	370.80	5.65	-66.86
O=C([O-])CCNC(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300001392110	0	50	0.0	-75.03	412.21	11.28	-63.75
O=C([O-])CCNC(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300001392110	1	50	0.0	-78.79	413.95	11.25	-67.54
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCCC(=O)[O-])=C1	REAL300001392111	0	53	0.0	-75.89	418.65	11.40	-64.49
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCCC(=O)[O-])=C1	REAL300001392111	1	53	0.0	-76.86	420.07	11.26	-65.60
CC1C[NH+](CC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)CC(C)O1	REAL300001392115	1	47	0.0	-81.16	368.93	7.07	-74.09
O=C([O-])CCNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001392122	1	44	0.0	-79.51	343.48	7.19	-72.32
O=C([O-])CCNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001392122	1	44	0.0	-77.52	350.28	7.24	-70.28
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCCC(=O)[O-]	REAL300001392134	0	53	0.0	-72.26	410.59	10.77	-61.49
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCCC(=O)[O-]	REAL300001392134	1	53	0.0	-70.65	410.19	10.92	-59.73
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCCC(=O)[O-]	REAL300001392136	0	50	0.0	-63.26	380.13	9.53	-53.73
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCCC(=O)[O-]	REAL300001392136	1	50	0.0	-61.09	372.95	9.26	-51.83
CC(C(=O)NCCC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001392141	0	49	0.0	-62.29	368.79	9.05	-53.24
O=C([O-])CCNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001392154	0	48	0.0	-74.45	370.24	6.84	-67.61
CC1=CC=CC(N2CC[NH+](CCC(=O)NCCC(=O)[O-])CC2)=C1	REAL300001392164	0	48	0.0	-72.64	370.14	6.70	-65.94
O=C([O-])CCNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001392165	0	45	0.0	-72.72	348.74	6.04	-66.68
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CC[NH+](CC)C(C(=O)NC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001396481	1	49	0.0	-79.07	386.80	10.74	-68.33
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CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001396582	0	43	0.0	-82.82	344.95	8.37	-74.45
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(C(=O)[O-])C=C3)CC2)[NH+]=C1	REAL300001396583	1	46	0.0	-77.66	363.10	8.54	-69.12
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)C=C2)CC1	REAL300001396586	0	52	0.0	-84.75	395.36	9.33	-75.42
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300001396627	0	47	0.0	-83.32	371.32	10.52	-72.80
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300001396627	1	47	0.0	-83.22	370.51	10.34	-72.88
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300001396645	0	48	0.0	-85.06	391.65	9.92	-75.14
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CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2)[C@@H](C(F)(F)F)C1	REAL300001396692	0	46	0.0	-83.88	362.96	8.68	-75.20
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2)[C@@H](C(F)(F)F)C1	REAL300001396692	1	46	0.0	-78.69	361.77	8.78	-69.91
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O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C=C1	REAL300001396941	1	47	0.0	-82.57	373.80	10.71	-71.86
O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C=C1	REAL300001396941	1	47	0.0	-76.92	374.04	10.67	-66.25
C[N@@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300001397019	0	37	0.0	-88.29	312.91	7.22	-81.07
C[N@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300001397019	1	37	0.0	-87.58	301.09	7.24	-80.34
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300001397412	0	43	0.0	-81.34	349.83	9.78	-71.56
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300001397416	0	44	0.0	-85.62	356.83	8.76	-76.86
O=C([O-])C1=CC=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300001397485	0	50	0.0	-81.07	388.92	11.39	-69.68
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)C=C2)CCO1	REAL300001397487	1	48	0.0	-88.52	374.71	9.12	-79.40
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)C=C2)CCO1	REAL300001397487	1	48	0.0	-88.60	374.75	9.12	-79.48
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001397558	0	46	0.0	-77.54	349.91	9.19	-68.35
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001397558	1	46	0.0	-77.54	349.91	9.19	-68.35
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001397563	0	46	0.0	-81.08	339.33	8.59	-72.49
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001397563	1	46	0.0	-81.08	339.33	8.59	-72.49
CC1=C(C(=O)[O-])SC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300001398884	0	47	0.0	-88.62	377.45	10.47	-78.15
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300001399640	1	44	0.0	-76.43	354.23	9.37	-67.06
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300001399640	1	44	0.0	-76.46	354.06	9.36	-67.10
CC1=C(C(=O)[O-])SC(NC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300001400574	0	41	0.0	-82.84	325.75	8.10	-74.74
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)=C1	REAL300001400604	1	39	0.0	-74.31	324.71	7.99	-66.32
CC1=C(C(=O)[O-])SC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=C1	REAL300001400605	0	47	0.0	-78.11	370.91	9.86	-68.25
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC(C)=C(C(=O)[O-])S3)CC2)=CS1	REAL300001400679	1	46	0.0	-88.01	384.85	8.23	-79.78
CC1=C(C(=O)[O-])SC(NC(=O)C(C)N2CC[NH+](C)CC2)=C1	REAL300001400680	1	42	0.0	-79.61	329.62	5.07	-74.54
CC1=C(C(=O)[O-])SC(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)=C1	REAL300001400766	0	50	0.0	-84.60	410.42	9.98	-74.62
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)=C1	REAL300001400778	0	50	0.0	-85.72	411.19	12.33	-73.39
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)=C1	REAL300001400778	1	50	0.0	-85.75	411.08	12.33	-73.42
CC1=C(C(=O)[O-])SC(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300001400780	0	50	0.0	-76.39	390.15	10.86	-65.53
CC1=C(C(=O)[O-])SC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=C1	REAL300001400839	0	32	0.0	-80.80	286.48	8.75	-72.05
CC1=C(C(=O)[O-])SC(NC(=O)C2(C[NH+](C)C)CCCCC2)=C1	REAL300001400869	0	46	0.0	-84.25	340.69	8.82	-75.43
CC1=C(C(=O)[O-])SC(NC(=O)CC[N@@H+](C)C2CCCCC2)=C1	REAL300001400873	0	46	0.0	-83.46	354.77	8.83	-74.63
CC1=C(C(=O)[O-])SC(NC(=O)CC[N@H+](C)C2CCCCC2)=C1	REAL300001400873	1	46	0.0	-83.45	354.77	8.83	-74.62
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C1	REAL300001400953	0	40	0.0	-87.81	345.53	7.87	-79.94
CC1=C(C(=O)[O-])SC(NC(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)=C1	REAL300001400958	0	50	0.0	-86.42	413.76	10.07	-76.35
CC1=C(C(=O)[O-])SC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=C1	REAL300001400982	0	47	0.0	-75.36	348.99	9.16	-66.20
CC1=C(C(=O)[O-])SC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=C1	REAL300001400982	1	47	0.0	-73.22	353.89	9.05	-64.17
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=C1	REAL300001400983	0	48	0.0	-74.97	361.54	7.35	-67.62
CC1=C(C(=O)[O-])SC(NC(=O)CCCN2C=C[NH+]=C2C)=C1	REAL300001401015	1	38	0.0	-77.98	327.32	8.15	-69.83
CC1=C(C(=O)[O-])SC(NC(=O)CCCC[NH+]2CCOCC2)=C1	REAL300001401016	1	44	0.0	-85.00	354.61	6.82	-78.18
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300001401018	0	49	0.0	-85.69	379.45	10.18	-75.51
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300001401018	1	49	0.0	-85.92	373.83	9.92	-76.00
CC1=C(C(=O)[O-])SC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300001401042	0	44	0.0	-82.33	361.06	9.67	-72.66
CC1=C(C(=O)[O-])SC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300001401042	1	44	0.0	-82.42	361.16	9.70	-72.72
CC1=C(C(=O)[O-])SC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=C1	REAL300001401043	0	45	0.0	-91.15	360.14	9.12	-82.03
CC1=C(C(=O)[O-])SC(NC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)=C1	REAL300001401071	1	49	0.0	-79.49	392.91	8.40	-71.09
CC1=C(C(=O)[O-])SC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=C1	REAL300001401072	0	48	0.0	-83.64	353.08	7.08	-76.56
CC1=C(C(=O)[O-])SC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=C1	REAL300001401077	1	43	0.0	-81.15	351.27	9.23	-71.92
CC1=C(C(=O)[O-])SC(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300001401077	1	43	0.0	-80.58	351.09	9.23	-71.35
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=C1	REAL300001401088	0	50	0.0	-85.26	400.01	11.28	-73.98
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=C1	REAL300001401088	1	50	0.0	-76.38	393.75	11.50	-64.88
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)=C1	REAL300001401116	0	39	0.0	-85.92	330.27	6.87	-79.05
CCC[NH+](CCC)CCCC(=O)NC1=CC(C)=C(C(=O)[O-])S1	REAL300001401127	0	48	0.0	-81.83	374.42	9.16	-72.67
CC[N@H+](C)C(C(=O)NC1=CC(C)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300001401129	1	43	0.0	-77.37	343.77	9.16	-68.21
CC[N@@H+](C)C(C(=O)NC1=CC(C)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300001401129	1	43	0.0	-75.16	349.65	9.35	-65.81
CC[NH+](CC)C(C(=O)NC1=CC(C)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300001401134	0	46	0.0	-77.65	355.70	9.65	-68.00
CC1=C(C(=O)[O-])SC(NC(=O)CN2C=C[NH+]=C2C(C)C)=C1	REAL300001401140	1	38	0.0	-74.74	322.01	7.97	-66.77
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=C1	REAL300001401156	0	44	0.0	-88.92	359.27	9.88	-79.04
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=C1	REAL300001401163	0	47	0.0	-81.58	376.04	10.58	-71.00
CCN1CCC([NH+]2CCC(C(=O)NC3=CC(C)=C(C(=O)[O-])S3)CC2)CC1	REAL300001401170	0	55	0.0	-85.94	410.12	8.05	-77.89
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)=C1	REAL300001401177	1	51	0.0	-92.19	409.33	9.62	-82.57
CC1=C(C(=O)[O-])SC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300001401188	1	48	0.0	-93.10	383.90	9.64	-83.46
CC1=C(C(=O)[O-])SC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300001401188	1	48	0.0	-89.85	390.68	9.69	-80.16
CC1=C(C(=O)[O-])SC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300001401204	1	47	0.0	-77.07	375.02	10.37	-66.70
CC1=C(C(=O)[O-])SC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300001401204	1	47	0.0	-78.08	365.54	10.21	-67.87
CC1=C(C(=O)[O-])SC(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)=C1	REAL300001401206	1	38	0.0	-86.97	332.08	7.13	-79.84
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=C1	REAL300001401214	0	47	0.0	-89.25	376.02	10.59	-78.66
CC1=C(C(=O)[O-])SC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=C1	REAL300001401226	1	40	0.0	-84.09	340.84	7.42	-76.67
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=C1	REAL300001401227	0	43	0.0	-90.80	356.95	9.57	-81.23
CC1=C(C(=O)[O-])SC(NC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)=C1	REAL300001401253	1	53	0.0	-78.10	414.57	11.71	-66.39
CC1=C(C(=O)[O-])SC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)=C1	REAL300001401300	1	43	0.0	-84.04	355.49	9.68	-74.36
CC1=C(C(=O)[O-])SC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=C1	REAL300001401300	1	43	0.0	-84.05	355.47	9.67	-74.38
COCCOCC[N@H+](C)CCC(=O)NC1=CC(C)=C(C(=O)[O-])S1	REAL300001401301	0	47	0.0	-82.67	384.48	5.86	-76.81
COCCOCC[N@@H+](C)CCC(=O)NC1=CC(C)=C(C(=O)[O-])S1	REAL300001401301	1	47	0.0	-83.94	384.53	5.86	-78.08
CC1=C(C(=O)[O-])SC(NC(=O)CC2(O)CCC[N@@H+](C)C2)=C1	REAL300001401305	0	41	0.0	-75.13	316.96	5.30	-69.83
CC1=C(C(=O)[O-])SC(NC(=O)CC2(O)CCC[N@H+](C)C2)=C1	REAL300001401305	1	41	0.0	-74.51	326.65	5.50	-69.01
CC1=C(C(=O)[O-])SC(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)=C1	REAL300001401315	0	52	0.0	-87.06	410.65	9.38	-77.68
CCCCCC[N@H+](C)CC(=O)NC1=CC(C)=C(C(=O)[O-])S1	REAL300001401319	0	45	0.0	-81.86	360.07	9.00	-72.86
CCCCCC[N@@H+](C)CC(=O)NC1=CC(C)=C(C(=O)[O-])S1	REAL300001401319	1	45	0.0	-81.80	360.06	9.00	-72.80
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=C1	REAL300001401331	1	32	0.0	-86.89	286.75	8.75	-78.14
CC1=C(C(=O)[O-])SC(NC(=O)C[N@@H+](C)C2CCSC2)=C1	REAL300001401349	1	38	0.0	-85.39	315.83	7.47	-77.92
CC1=C(C(=O)[O-])SC(NC(=O)C[N@H+](C)C2CCSC2)=C1	REAL300001401349	1	38	0.0	-84.45	315.61	7.49	-76.96
CC1=C(C(=O)[O-])SC(NC(=O)CCN2CC[NH+](C(C)C)CC2)=C1	REAL300001401364	0	48	0.0	-81.42	366.59	6.03	-75.39
CC1=C(C(=O)[O-])SC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)=C1	REAL300001401365	0	51	0.0	-78.08	393.20	7.22	-70.86
CC1=C(C(=O)[O-])SC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)=C1	REAL300001401365	1	51	0.0	-82.72	390.01	7.05	-75.67
CC1=C(C(=O)[O-])SC(NC(=O)C2CCCC3CCC[N@@H+]32)=C1	REAL300001401366	0	41	0.0	-76.92	312.95	7.78	-69.14
CC1=C(C(=O)[O-])SC(NC(=O)C2CCCC3CCC[N@H+]32)=C1	REAL300001401366	1	41	0.0	-76.86	313.13	7.80	-69.06
CC1=C(C(=O)[O-])SC(NC(=O)C2=CN(CC[NH+](C)C)N=C2)=C1	REAL300001401368	0	40	0.0	-87.50	340.63	6.74	-80.76
CC1=C(C(=O)[O-])SC(NC(=O)CC[NH+]2CCN(C3=CC(C)=CC=C3)CC2)=C1	REAL300001401375	0	52	0.0	-87.40	410.55	9.24	-78.16
CC1=C(C(=O)[O-])SC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=C1	REAL300001401377	0	49	0.0	-87.39	388.64	8.54	-78.85
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=C1	REAL300001401380	0	46	0.0	-84.51	366.15	8.87	-75.64
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=C1	REAL300001401380	1	46	0.0	-79.97	366.06	8.78	-71.19
CC1=C(C(=O)[O-])SC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300001401413	0	47	0.0	-86.22	379.24	10.40	-75.82
CC1=C(C(=O)[O-])SC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300001401413	1	47	0.0	-86.91	381.41	10.48	-76.43
CC1=C(C(=O)[O-])SC(NC(=O)C2=NN(CC[NH+](C)C)C=C2)=C1	REAL300001401428	0	40	0.0	-92.58	340.99	6.75	-85.83
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=NN2CC[NH+](C)C)=C1	REAL300001401429	0	40	0.0	-69.21	336.07	6.72	-62.49
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(C)=C(C(=O)[O-])S1	REAL300001401435	1	41	0.0	-75.25	342.30	8.45	-66.80
CC1=C(C(=O)[O-])SC(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)=C1	REAL300001401439	1	41	0.0	-86.26	342.10	6.32	-79.94
CC1=C(C(=O)[O-])SC(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)=C1	REAL300001401439	1	41	0.0	-86.09	342.53	6.30	-79.79
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)=C1	REAL300001401451	0	47	0.0	-84.98	377.64	10.70	-74.28
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)=C1	REAL300001401451	1	47	0.0	-79.26	377.61	10.69	-68.57
CC1=C(C(=O)[O-])SC(NC(=O)C(C)C[NH+]2CCOCC2)=C1	REAL300001401456	1	41	0.0	-82.36	327.68	5.99	-76.37
CC1=C(C(=O)[O-])SC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)=C1	REAL300001401457	0	48	0.0	-86.43	386.90	7.99	-78.44
CC1=C(C(=O)[O-])SC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=C1	REAL300001401512	0	47	0.0	-79.90	361.82	9.16	-70.74
CC1=C(C(=O)[O-])SC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)=C1	REAL300001401512	1	47	0.0	-80.70	361.04	9.10	-71.60
CC1=C(C(=O)[O-])SC(NC(=O)C23CCC[NH+](CCC2)C3)=C1	REAL300001401531	0	41	0.0	-80.28	313.74	7.43	-72.85
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC3CCCC[N@@H+]32)=C1	REAL300001401535	0	41	0.0	-73.79	324.23	8.21	-65.58
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC3CCCC[N@H+]32)=C1	REAL300001401535	1	41	0.0	-76.49	317.24	7.73	-68.76
CC1=C(C(=O)[O-])SC(NC(=O)C(C)(C)C[NH+]2CCOCC2)=C1	REAL300001401543	1	44	0.0	-77.37	337.15	6.32	-71.05
CC1=C(C(=O)[O-])SC(NC(=O)C2CC[N@@H+](C(C)C)CC2C2=CN(C)N=C2)=C1	REAL300001401548	0	53	0.0	-90.88	407.57	8.72	-82.16
CC1=C(C(=O)[O-])SC(NC(=O)C2CC[N@H+](C(C)C)CC2C2=CN(C)N=C2)=C1	REAL300001401548	1	53	0.0	-83.19	404.25	8.89	-74.30
CC1=C(C(=O)[O-])SC(NC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)=C1	REAL300001401549	0	47	0.0	-93.18	372.75	7.61	-85.57
CC1=C(C(=O)[O-])SC(NC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)=C1	REAL300001401549	1	47	0.0	-90.18	371.68	7.79	-82.39
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)=C1	REAL300001401554	0	49	0.0	-83.68	393.10	8.15	-75.53
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)=C1	REAL300001401555	0	49	0.0	-85.01	393.08	8.16	-76.85
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)=C1	REAL300001401555	1	49	0.0	-90.20	392.54	8.04	-82.16
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)C=C1	REAL300001401556	0	50	0.0	-87.43	399.45	9.87	-77.56
CC1=C(C(=O)[O-])SC(NC(=O)C2CC[NH+](C(C)C)CC2)=C1	REAL300001401563	0	43	0.0	-82.96	331.62	7.85	-75.11
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)=C1	REAL300001401680	0	51	0.0	-91.76	407.69	7.90	-83.86
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)=C1	REAL300001401684	0	40	0.0	-82.49	334.47	8.72	-73.77
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300001401685	0	47	0.0	-78.27	371.23	10.63	-67.64
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300001401685	1	47	0.0	-80.21	377.44	10.42	-69.79
C#CC[NH+]1CCC(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)CC1	REAL300001401752	0	39	0.0	-86.17	325.57	8.04	-78.13
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(C)=C(C(=O)[O-])S1	REAL300001401754	0	43	0.0	-77.32	328.20	8.04	-69.28
CCC[N@H+]1CCCCC1C(=O)NC1=CC(C)=C(C(=O)[O-])S1	REAL300001401754	1	43	0.0	-77.32	328.19	8.05	-69.27
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC=C2C[NH+](C)C)=C1	REAL300001401756	0	40	0.0	-65.35	327.16	8.96	-56.39
CC[NH+]1CCN(CCC(=O)NC2=CC(C)=C(C(=O)[O-])S2)CC1	REAL300001401758	0	45	0.0	-82.69	353.79	5.74	-76.95
CC1=C(C(=O)[O-])SC(NC(=O)C(C(C)C)[NH+]2CCCCC2)=C1	REAL300001401760	0	46	0.0	-75.98	348.11	9.02	-66.96
CC1=C(C(=O)[O-])SC(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)=C1	REAL300001401761	1	40	0.0	-75.75	331.08	8.72	-67.03
CC1=C(C(=O)[O-])SC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300001401765	0	45	0.0	-78.61	370.22	6.68	-71.93
CC1=C(C(=O)[O-])SC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300001401765	1	45	0.0	-79.59	369.68	6.71	-72.88
CC1=C(C(=O)[O-])SC(NC(=O)CCN2C=C[NH+]=C2C(C)C)=C1	REAL300001401771	1	41	0.0	-74.73	341.75	8.39	-66.34
CC1=C(C(=O)[O-])SC(NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)=C1	REAL300001401772	0	43	0.0	-68.48	355.55	9.06	-59.42
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=C1	REAL300001401777	0	44	0.0	-80.35	333.15	8.44	-71.91
CC1=C(C(=O)[O-])SC(NC(=O)C2CCC[N@H+]2C2CCCC2)=C1	REAL300001401777	1	44	0.0	-77.50	342.27	8.62	-68.88
CC1=C(C(=O)[O-])SC(NC(=O)C(C)[NH+]2CCCCCC2)=C1	REAL300001401806	0	43	0.0	-74.95	325.36	7.69	-67.26
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)=C1	REAL300001401841	1	45	0.0	-86.21	369.26	9.17	-77.04
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)=C1	REAL300001401841	1	45	0.0	-86.04	369.46	9.14	-76.90
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)O1	REAL300001401899	0	43	0.0	-85.36	352.12	8.15	-77.21
CC1=C(C(=O)[O-])SC(NC(=O)CCCC[NH+]2CCCC2)=C1	REAL300001401900	0	43	0.0	-81.61	347.67	8.55	-73.06
CC1=C(C(=O)[O-])SC(NC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)=C1	REAL300001401902	1	46	0.0	-80.11	370.38	8.31	-71.80
CC1=C(C(=O)[O-])SC(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300001401903	1	40	0.0	-85.49	332.99	8.84	-76.65
CC1=C(C(=O)[O-])SC(NC(=O)C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300001401903	1	40	0.0	-85.51	333.01	8.84	-76.67
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)=C1	REAL300001401907	0	52	0.0	-88.00	402.48	9.09	-78.91
CC1=C(C(=O)[O-])SC(NC(=O)C2=NOC(C[NH+](C)C)=C2)=C1	REAL300001401951	1	36	0.0	-85.80	315.43	6.28	-79.52
CC1=C(C(=O)[O-])SC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)=C1	REAL300001401956	0	47	0.0	-84.96	377.81	10.21	-74.75
CC1=C(C(=O)[O-])SC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)=C1	REAL300001401956	1	47	0.0	-84.94	378.01	10.20	-74.74
CC1=C(C(=O)[O-])SC(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)=C1	REAL300001401980	0	48	0.0	-87.97	398.80	9.71	-78.26
CC1=C(C(=O)[O-])SC(NC(=O)COC2CC[NH+](C)CC2)=C1	REAL300001401997	0	41	0.0	-87.20	336.30	7.24	-79.96
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=C1	REAL300001402003	0	44	0.0	-86.29	361.37	8.83	-77.46
CC1=C(C(=O)[O-])SC(NC(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)=C1	REAL300001402044	0	46	0.0	-85.05	370.35	8.42	-76.63
CC1=C(C(=O)[O-])SC(NC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)=C1	REAL300001402044	1	46	0.0	-79.52	369.07	8.53	-70.99
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)C1	REAL300001402189	0	43	0.0	-73.04	333.84	8.46	-64.58
CCC[N@H+]1CCCC(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)C1	REAL300001402189	1	43	0.0	-79.79	340.08	8.25	-71.54
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CC[NH+](CC)C(C(=O)NC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001407065	1	49	0.0	-79.07	386.80	10.74	-68.33
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300001407211	0	47	0.0	-83.32	371.32	10.52	-72.80
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300001407211	1	47	0.0	-83.22	370.51	10.34	-72.88
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C[N@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300001407603	1	37	0.0	-87.58	301.09	7.24	-80.34
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300001407996	0	43	0.0	-81.34	349.83	9.78	-71.56
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300001408000	0	44	0.0	-85.62	356.83	8.76	-76.86
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CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)C=C2)CCO1	REAL300001408071	1	48	0.0	-88.52	374.71	9.12	-79.40
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)C=C2)CCO1	REAL300001408071	1	48	0.0	-88.60	374.75	9.12	-79.48
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001408142	0	46	0.0	-77.54	349.91	9.19	-68.35
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001408142	1	46	0.0	-77.54	349.91	9.19	-68.35
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001408147	0	46	0.0	-81.08	339.33	8.59	-72.49
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001408147	1	46	0.0	-81.08	339.33	8.59	-72.49
O=C([O-])C1CCCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001409150	0	50	0.0	-86.21	368.10	11.95	-74.26
CC1=NC(C[NH+]2CCC(C(=O)N3CCCCC3C(=O)[O-])CC2)=CS1	REAL300001410380	1	49	0.0	-86.48	373.10	9.54	-76.94
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300001410425	0	53	0.0	-89.03	401.60	11.55	-77.48
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O=C([O-])C1CCCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300001410559	0	51	0.0	-88.98	355.40	8.71	-80.27
CC[N@H+](CC1=CC=C(C(=O)N2CCCCC2C(=O)[O-])C=C1)C(C)C	REAL300001410577	0	52	0.0	-96.92	363.46	11.25	-85.67
CC[N@@H+](CC1=CC=C(C(=O)N2CCCCC2C(=O)[O-])C=C1)C(C)C	REAL300001410577	1	52	0.0	-78.29	372.22	11.36	-66.93
O=C([O-])C1CCCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001410592	0	47	0.0	-73.72	346.81	10.99	-62.73
O=C([O-])C1CCCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001410592	1	47	0.0	-74.07	351.29	11.17	-62.90
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CC(C(=O)N1CCCCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300001410617	0	46	0.0	-58.45	334.20	10.46	-47.99
CC(C(=O)N1CCCCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300001410617	1	46	0.0	-65.12	339.69	10.44	-54.68
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O=C([O-])C1CCCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001410662	0	50	0.0	-90.99	369.65	12.00	-78.99
CCN1CCC([NH+]2CCC(C(=O)N3CCCCC3C(=O)[O-])CC2)CC1	REAL300001410668	0	58	0.0	-82.44	400.70	9.53	-72.91
CC1C[NH+](CC2=CC=C(C(=O)N3CCCCC3C(=O)[O-])C=C2)CC(C)O1	REAL300001410674	1	54	0.0	-98.88	399.89	10.93	-87.95
O=C([O-])C1CCCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001410684	1	51	0.0	-90.16	375.11	10.90	-79.26
O=C([O-])C1CCCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001410684	1	51	0.0	-86.12	381.94	10.96	-75.16
CC1=C(C(=O)N2CCCCC2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300001410698	1	41	0.0	-88.00	318.14	8.31	-79.69
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C[NH+](C)CCC1=CC=C(C(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300001410712	0	46	0.0	-99.83	347.50	10.89	-88.94
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CC(C(=O)N1CCCCC1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001410723	0	56	0.0	-46.05	400.27	12.62	-33.43
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCCC1C(=O)[O-]	REAL300001410749	0	46	0.0	-67.95	346.64	11.12	-56.83
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCCC1C(=O)[O-]	REAL300001410749	1	46	0.0	-67.83	346.59	11.10	-56.73
COCCOCC[N@H+](C)CCC(=O)N1CCCCC1C(=O)[O-]	REAL300001410750	0	50	0.0	-72.41	374.95	7.24	-65.17
COCCOCC[N@@H+](C)CCC(=O)N1CCCCC1C(=O)[O-]	REAL300001410750	1	50	0.0	-75.21	375.77	7.43	-67.78
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CC(C)[NH+]1CCN(CCC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300001410780	0	51	0.0	-80.45	362.88	7.98	-72.47
CC(C)N1CC[NH+](CCC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300001410780	1	51	0.0	-73.31	362.27	7.96	-65.35
CC(C)[NH+]1CCN(CCCC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300001410781	0	54	0.0	-79.54	384.43	8.78	-70.76
CC(C)N1CC[NH+](CCCC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300001410781	1	54	0.0	-77.29	380.88	8.58	-68.71
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCCC3C(=O)[O-])CC2)=C1	REAL300001410785	0	55	0.0	-76.97	401.22	10.77	-66.20
O=C([O-])C1CCCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001410786	0	52	0.0	-76.62	380.33	10.15	-66.47
O=C([O-])C1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300001410789	0	49	0.0	-71.90	355.43	10.18	-61.72
O=C([O-])C1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300001410789	1	49	0.0	-63.68	353.58	9.83	-53.85
CC(C(=O)N1CCCCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300001410793	1	47	0.0	-51.05	338.01	10.08	-40.97
CC(C(=O)N1CCCCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300001410793	1	47	0.0	-53.47	343.87	10.55	-42.92
O=C([O-])C1CCCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001410809	0	50	0.0	-81.73	370.48	11.92	-69.81
O=C([O-])C1CCCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001410809	1	50	0.0	-82.56	372.13	12.03	-70.53
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCCC2C(=O)[O-])=NN1	REAL300001410819	1	44	0.0	-90.06	329.96	8.13	-81.93
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCCC2C(=O)[O-])=NN1	REAL300001410819	1	44	0.0	-88.03	329.94	7.94	-80.09
O=C([O-])C1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300001410826	0	50	0.0	-70.62	364.84	11.67	-58.95
O=C([O-])C1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300001410826	1	50	0.0	-75.80	371.45	11.78	-64.02
O=C([O-])C1CCCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300001410828	0	51	0.0	-75.44	378.08	9.57	-65.87
O=C([O-])C1CCCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300001410849	0	50	0.0	-72.59	349.62	10.56	-62.03
O=C([O-])C1CCCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300001410849	1	50	0.0	-76.81	350.87	10.60	-66.21
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)CC1	REAL300001410865	0	52	0.0	-96.11	386.79	9.59	-86.52
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300001410866	0	52	0.0	-94.19	381.69	9.40	-84.79
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300001410866	1	52	0.0	-98.38	381.27	9.26	-89.12
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300001410867	0	53	0.0	-94.80	386.22	11.00	-83.80
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001410917	0	54	0.0	-99.89	396.42	9.12	-90.77
O=C([O-])C1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001410919	0	50	0.0	-64.59	357.73	11.76	-52.83
O=C([O-])C1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001410919	1	50	0.0	-71.85	368.65	11.87	-59.98
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCCC3C(=O)[O-])=CC=C1N2	REAL300001410997	1	48	0.0	-84.74	367.23	10.44	-74.30
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCCC3C(=O)[O-])=CC=C1N2	REAL300001410997	1	48	0.0	-91.80	357.89	10.37	-81.43
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCCC2C(=O)[O-])O1	REAL300001411035	0	46	0.0	-90.67	340.28	9.76	-80.91
CC1=CC=C(N2CCC(C(=O)N3CCCCC3C(=O)[O-])CC2)[NH+]=C1	REAL300001411037	1	49	0.0	-83.13	361.04	9.82	-73.31
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300001411040	0	55	0.0	-95.05	392.65	10.42	-84.63
O=C([O-])C1CCCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300001411047	1	38	0.0	-86.24	304.86	8.04	-78.20
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCC1C(=O)[O-]	REAL300001411071	0	50	0.0	-71.59	365.92	11.56	-60.03
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCC1C(=O)[O-]	REAL300001411071	1	50	0.0	-80.82	370.24	11.74	-69.08
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300001411086	0	51	0.0	-96.03	388.81	11.28	-84.75
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001411098	0	47	0.0	-91.06	349.45	10.43	-80.63
C[N@@H+]1CC(C(=O)N2CCCCC2C(=O)[O-])C(C(F)(F)F)C1	REAL300001411332	0	40	0.0	-70.60	290.12	8.03	-62.57
C[N@H+]1CC(C(=O)N2CCCCC2C(=O)[O-])C(C(F)(F)F)C1	REAL300001411332	1	40	0.0	-69.65	290.41	7.93	-61.72
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001411608	0	46	0.0	-94.18	350.58	10.99	-83.19
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300001411611	0	47	0.0	-97.64	352.97	9.76	-87.88
O=C([O-])C1CCCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001411669	0	53	0.0	-78.98	387.26	12.64	-66.34
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCCC3C(=O)[O-])C=C2)CCO1	REAL300001411671	1	51	0.0	-81.49	377.41	10.47	-71.02
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCCC3C(=O)[O-])C=C2)CCO1	REAL300001411671	1	51	0.0	-83.40	379.35	10.19	-73.21
CC(C)C1=CC=C(CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1	REAL300001411794	0	56	0.0	-44.90	416.18	12.65	-32.25
CC(C)C1=CC=C(CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)C=C1	REAL300001411794	1	56	0.0	-45.38	405.02	12.44	-32.94
CN(CC1=CN(CC2=CC=CC=C2)N=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001411914	0	53	0.0	-51.36	418.40	11.15	-40.21
CN(CC1=CN(CC2=CC=CC=C2)N=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001411914	1	53	0.0	-50.46	419.56	11.19	-39.27
CSCCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NN=C2C=CC=CN21	REAL300001412022	0	52	0.0	-56.37	409.27	9.84	-46.53
CSCCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NN=C2C=CC=CN21	REAL300001412022	1	52	0.0	-51.25	409.97	10.30	-40.95
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1CC1=CC=CC=C1	REAL300001412128	0	54	0.0	-52.25	419.19	11.13	-41.12
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1CC1=CC=CC=C1	REAL300001412128	1	54	0.0	-52.42	413.71	11.15	-41.27
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(COCC(F)(F)F)C=C2)C1	REAL300001412246	0	50	0.0	-51.85	413.20	8.58	-43.27
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(COCC(F)(F)F)C=C2)C1	REAL300001412246	1	50	0.0	-50.82	406.99	8.56	-42.26
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC=C([N+](=O)[O-])C=C32)C1	REAL300001412354	0	43	0.0	-53.82	335.15	9.69	-44.13
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=C([N+](=O)[O-])C=C32)C1	REAL300001412354	1	43	0.0	-62.50	337.05	10.14	-52.36
CC(C1=CC2=CC=CC=C2O1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001412459	0	49	0.0	-48.93	375.94	10.51	-38.42
CC(C1=CC2=CC=CC=C2O1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001412459	1	49	0.0	-49.04	377.25	10.62	-38.42
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=CC=C2Cl)C1	REAL300001412568	0	43	0.0	-46.36	342.76	8.10	-38.26
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=CC=C2Cl)C1	REAL300001412568	1	43	0.0	-48.77	345.72	8.59	-40.18
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1NS(C)(=O)=O	REAL300001412772	0	48	0.0	-55.90	381.32	4.77	-51.13
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1NS(C)(=O)=O	REAL300001412772	1	48	0.0	-56.18	375.87	4.79	-51.39
NC(=O)C1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300001412897	1	41	0.0	-60.74	337.01	4.60	-56.14
NC(=O)C1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300001412897	1	41	0.0	-59.77	331.80	4.60	-55.17
NC(=O)CC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001412994	0	44	0.0	-51.89	339.01	4.50	-47.39
NC(=O)CC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001412994	1	44	0.0	-53.43	340.72	4.99	-48.44
CCCCOC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001413105	0	53	0.0	-46.87	404.85	9.21	-37.66
CCCCOC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001413105	1	53	0.0	-48.65	411.06	9.23	-39.42
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3CCCC3)C=C2)C1	REAL300001413235	0	51	0.0	-51.68	385.90	9.55	-42.13
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3CCCC3)C=C2)C1	REAL300001413235	1	51	0.0	-51.63	379.59	9.59	-42.04
CC1CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(=O)N1C1=CC=CC=C1	REAL300001413368	0	51	0.0	-56.14	386.42	8.57	-47.57
CC1CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(=O)N1C1=CC=CC=C1	REAL300001413368	1	51	0.0	-57.05	393.99	8.65	-48.40
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC=C1Cl	REAL300001413496	0	47	0.0	-49.54	374.36	8.14	-41.40
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC=C1Cl	REAL300001413496	1	47	0.0	-49.28	380.26	8.23	-41.05
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=C(C(F)(F)F)C=C2)C2CC2)C1	REAL300001413613	0	50	0.0	-49.10	388.85	11.74	-37.36
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=C(C(F)(F)F)C=C2)C2CC2)C1	REAL300001413613	1	50	0.0	-49.06	388.81	11.50	-37.56
COCC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001413784	0	47	0.0	-48.26	365.56	7.12	-41.14
COCC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001413784	1	47	0.0	-49.60	371.76	7.14	-42.46
CCOC1=CC(F)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001413886	1	44	0.0	-47.18	339.94	7.30	-39.88
CCOC1=CC(F)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001413886	1	44	0.0	-47.61	340.75	7.74	-39.87
CCCOC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001413996	0	57	0.0	-52.79	435.64	9.17	-43.62
CCCOC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001413996	1	57	0.0	-53.53	436.78	9.21	-44.32
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300001414120	0	51	0.0	-50.83	405.42	10.28	-40.55
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300001414120	1	51	0.0	-49.27	399.22	10.26	-39.01
CC1=CC=CC(C)=C1NC(=O)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001414245	0	50	0.0	-48.20	380.02	7.38	-40.82
CC1=CC=CC(C)=C1NC(=O)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001414245	1	50	0.0	-51.51	386.20	7.43	-44.08
CC(C)C(=O)N1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001414365	0	50	0.0	-56.42	368.62	7.67	-48.75
CC(C)C(=O)N1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001414365	1	50	0.0	-51.84	361.12	7.21	-44.63
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001414475	0	53	0.0	-51.53	409.05	12.46	-39.07
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001414475	1	53	0.0	-49.76	414.56	12.42	-37.34
CN(CC1=CC=C(C(=O)NC2CC2)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001414592	0	54	0.0	-53.62	422.03	9.47	-44.15
CN(CC1=CC=C(C(=O)NC2CC2)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001414592	1	54	0.0	-51.38	414.57	9.01	-42.37
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3=CC=C(F)C=C3)C2)C1	REAL300001414717	0	48	0.0	-47.42	364.61	8.57	-38.85
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3=CC=C(F)C=C3)C2)C1	REAL300001414717	1	48	0.0	-50.74	372.08	9.01	-41.73
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C(=O)NCC(F)(F)F)C1	REAL300001414837	0	47	0.0	-51.38	376.26	7.45	-43.93
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C(=O)NCC(F)(F)F)C1	REAL300001414837	1	47	0.0	-48.97	370.80	7.35	-41.62
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=C(F)C=C2)C1	REAL300001415047	0	50	0.0	-51.56	391.90	11.54	-40.02
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=C(F)C=C2)C1	REAL300001415047	1	50	0.0	-51.97	397.36	11.52	-40.45
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(=CC3=CC=CC(F)=C3)CC2)C1	REAL300001415166	0	51	0.0	-46.38	379.65	11.16	-35.22
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(=CC3=CC=CC(F)=C3)CC2)C1	REAL300001415166	1	51	0.0	-49.77	387.12	11.62	-38.15
CCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300001415355	1	44	0.0	-53.49	347.55	7.59	-45.90
CCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300001415355	1	44	0.0	-57.63	342.33	7.60	-50.03
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CS1	REAL300001415431	0	43	0.0	-44.54	332.72	7.52	-37.02
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CS1	REAL300001415431	1	43	0.0	-45.50	333.45	7.97	-37.53
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=C3CCCC3=C2)C1	REAL300001415537	0	51	0.0	-49.09	392.13	8.95	-40.14
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=C3CCCC3=C2)C1	REAL300001415537	1	51	0.0	-48.90	391.49	8.93	-39.97
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2)CC2CCCO2)C1	REAL300001415658	0	54	0.0	-48.15	402.90	10.71	-37.44
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2)CC2CCCO2)C1	REAL300001415658	1	54	0.0	-43.81	401.48	10.37	-33.44
CC(C1=CC=CO1)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300001415755	0	47	0.0	-48.69	356.33	9.57	-39.12
CC(C1=CC=CO1)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300001415755	1	47	0.0	-48.76	355.51	9.67	-39.09
COC1=CC=CC(C2=NOC(C(C)NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=N2)=C1	REAL300001415863	0	52	0.0	-52.77	410.44	5.71	-47.06
COC1=CC=CC(C2=NOC(C(C)NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=N2)=C1	REAL300001415863	1	52	0.0	-51.07	411.28	6.17	-44.90
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC(C(C)(C)C)=NO1	REAL300001415982	0	50	0.0	-48.19	384.14	5.42	-42.77
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC(C(C)(C)C)=NO1	REAL300001415982	1	50	0.0	-48.24	384.21	5.42	-42.82
CCSCCC(C)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001416071	0	49	0.0	-44.67	370.77	9.75	-34.92
CCSCCC(C)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001416071	1	49	0.0	-46.80	371.56	10.20	-36.60
O=C([O-])C1CCC[N@H+](CC(=O)N2CC(OCC3=CC=CC4=CC=CC=C43)C2)C1	REAL300001416178	0	54	0.0	-49.88	415.41	11.45	-38.43
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC(OCC3=CC=CC4=CC=CC=C43)C2)C1	REAL300001416178	1	54	0.0	-50.21	420.88	11.43	-38.78
COC1(C)CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300001416264	0	50	0.0	-45.59	358.07	6.04	-39.55
COC1(C)CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300001416264	1	50	0.0	-47.11	358.89	6.48	-40.63
CC1=CC(=O)N(C)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001416339	0	43	0.0	-59.06	327.21	6.38	-52.68
CC1=CC(=O)N(C)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001416339	1	43	0.0	-60.94	328.89	6.80	-54.14
CC(C1=CC=C(S(C)=O)C=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001416439	0	51	0.0	-61.80	396.79	8.51	-53.29
CC(C1=CC=C(S(C)=O)C=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001416439	1	51	0.0	-57.79	399.03	9.06	-48.73
COC1=CC=C(C2=CSC(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)C=C1	REAL300001416552	0	51	0.0	-48.92	406.00	9.27	-39.65
COC1=CC=C(C2=CSC(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)C=C1	REAL300001416552	1	51	0.0	-51.05	412.20	9.29	-41.76
CCCCOC1CC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300001416661	0	59	0.0	-43.79	419.65	9.85	-33.94
CCCCOC1CC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300001416661	1	59	0.0	-49.90	419.46	10.36	-39.54
NC(=O)CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCOCC1	REAL300001416765	0	51	0.0	-54.84	376.76	2.99	-51.85
NC(=O)CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCOCC1	REAL300001416765	1	51	0.0	-52.21	369.24	2.55	-49.66
O=C([O-])C1CCC[N@H+](CC(=O)NCC#CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300001416881	0	45	0.0	-51.10	383.06	9.91	-41.19
O=C([O-])C1CCC[N@@H+](CC(=O)NCC#CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300001416881	1	45	0.0	-49.11	376.84	9.89	-39.22
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC(Cl)=C1	REAL300001417005	0	47	0.0	-48.17	380.30	8.17	-40.00
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC(Cl)=C1	REAL300001417005	1	47	0.0	-48.92	380.95	8.19	-40.73
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCCC3=CC=CC=C32)C1	REAL300001417122	0	50	0.0	-41.56	354.07	11.67	-29.89
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCCC3=CC=CC=C32)C1	REAL300001417122	1	50	0.0	-41.59	359.53	11.63	-29.96
COC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300001417235	0	47	0.0	-48.60	380.13	7.86	-40.74
COC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1	REAL300001417235	1	47	0.0	-50.70	386.71	7.79	-42.91
CN(CC1=CC2=CC=CC=C2O1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001417362	0	46	0.0	-50.51	362.79	10.02	-40.49
CN(CC1=CC2=CC=CC=C2O1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001417362	1	46	0.0	-49.63	362.68	10.03	-39.60
CC1C(C2=CC=CC=C2)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001417481	0	50	0.0	-47.68	367.10	10.59	-37.09
CC1C(C2=CC=CC=C2)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001417481	1	50	0.0	-48.29	366.87	10.59	-37.70
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2CCC2)C2=CC=CC=C2)C1	REAL300001417590	0	50	0.0	-43.04	382.48	11.95	-31.09
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2CCC2)C2=CC=CC=C2)C1	REAL300001417590	1	50	0.0	-47.19	380.65	11.91	-35.28
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC2C2=CC=CC=C2)C1	REAL300001417692	0	48	0.0	-44.69	348.84	7.97	-36.72
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC2C2=CC=CC=C2)C1	REAL300001417692	1	48	0.0	-49.48	350.50	8.40	-41.08
COCCOC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001417758	0	45	0.0	-49.21	352.85	5.27	-43.94
COCCOC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001417758	1	45	0.0	-49.62	347.34	5.30	-44.32
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2)CC(F)F)C1	REAL300001417846	0	46	0.0	-47.81	354.74	10.54	-37.27
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2)CC(F)F)C1	REAL300001417846	1	46	0.0	-47.75	360.16	10.50	-37.25
CC1=NC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C2N1C	REAL300001417958	0	46	0.0	-53.09	351.56	7.99	-45.10
CC1=NC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C2N1C	REAL300001417958	1	46	0.0	-53.47	352.64	8.42	-45.05
CCC(CC)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001418081	0	55	0.0	-49.07	392.05	10.22	-38.85
CCC(CC)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001418081	1	55	0.0	-45.93	390.14	9.77	-36.16
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NOC(C)=N1	REAL300001418175	0	44	0.0	-47.40	335.33	3.78	-43.62
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NOC(C)=N1	REAL300001418175	1	44	0.0	-49.59	342.15	4.22	-45.37
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(N2C=CC=N2)C=C1	REAL300001418285	0	50	0.0	-55.11	391.87	9.45	-45.66
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(N2C=CC=N2)C=C1	REAL300001418285	1	50	0.0	-55.66	386.40	9.48	-46.18
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C(F)=C1	REAL300001418403	0	46	0.0	-51.00	355.80	8.81	-42.19
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C(F)=C1	REAL300001418403	1	46	0.0	-53.86	355.69	8.83	-45.03
CSC1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001418563	0	44	0.0	-47.89	343.98	7.71	-40.18
CSC1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001418563	1	44	0.0	-48.66	344.60	7.61	-41.05
CCOC(C)C1=NOC(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001418662	0	51	0.0	-50.87	395.98	5.63	-45.24
CCOC(C)C1=NOC(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001418662	1	51	0.0	-53.90	402.14	5.62	-48.28
CC1CC(C)(C)CCC1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001418799	0	52	0.0	-46.76	371.70	8.83	-37.93
CC1CC(C)(C)CCC1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001418799	1	52	0.0	-47.54	372.90	8.87	-38.67
O=C([O-])C1CCC[N@H+](CC(=O)N2CC(OCCCOC3=CC=CC=C3)C2)C1	REAL300001418903	0	55	0.0	-50.14	425.09	9.45	-40.69
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC(OCCCOC3=CC=CC=C3)C2)C1	REAL300001418903	1	55	0.0	-50.10	430.62	9.34	-40.76
CCNC(=O)COC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001419025	0	54	0.0	-54.73	422.00	7.09	-47.64
CCNC(=O)COC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001419025	1	54	0.0	-56.69	428.21	7.12	-49.57
CC(C)N1C(=O)CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1=O	REAL300001419139	0	46	0.0	-53.95	350.04	5.04	-48.91
CC(C)N1C(=O)CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1=O	REAL300001419139	1	46	0.0	-53.66	350.93	5.48	-48.18
O=C([O-])C1CCC[N@H+](CC(=O)N2CC(OCCCC3=CC=CC=C3)C2)C1	REAL300001419262	0	54	0.0	-48.66	416.61	10.65	-38.01
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC(OCCCC3=CC=CC=C3)C2)C1	REAL300001419262	1	54	0.0	-48.74	422.13	10.52	-38.22
CN(C)C(=O)COC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001419385	0	48	0.0	-56.97	375.24	6.54	-50.43
CN(C)C(=O)COC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001419385	1	48	0.0	-59.86	370.16	6.59	-53.27
COC1=CC(CC2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300001419503	0	55	0.0	-49.60	425.18	9.10	-40.50
COC1=CC(CC2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)=CC(OC)=C1	REAL300001419503	1	55	0.0	-51.06	419.66	9.03	-42.03
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)S(C)(=O)=O	REAL300001419613	1	45	0.0	-52.59	346.39	3.63	-48.96
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)S(C)(=O)=O	REAL300001419613	1	45	0.0	-50.66	339.67	3.20	-47.46
CN1C2=CC=CC=C2N=C1C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001419831	0	53	0.0	-61.81	406.55	11.23	-50.58
CN1C2=CC=CC=C2N=C1C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001419831	1	53	0.0	-61.03	413.13	11.17	-49.86
NC1=C(Cl)C=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001419946	0	39	0.0	-50.48	328.40	6.35	-44.13
NC1=C(Cl)C=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001419946	1	39	0.0	-47.77	327.11	5.87	-41.90
CCN(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001420151	0	46	0.0	-45.53	353.23	10.39	-35.14
CCN(CC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001420151	1	46	0.0	-44.97	342.02	10.21	-34.76
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(I)=C2)C1	REAL300001420263	0	37	0.0	-48.58	312.54	8.41	-40.17
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(I)=C2)C1	REAL300001420263	1	37	0.0	-49.81	318.02	8.39	-41.42
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C3=NC=CC=N3)CC2)C1	REAL300001420382	0	47	0.0	-48.27	349.59	7.63	-40.64
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C3=NC=CC=N3)CC2)C1	REAL300001420382	1	47	0.0	-51.63	357.11	8.10	-43.53
CC(=O)N(C)C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001420525	0	47	0.0	-59.96	352.18	7.56	-52.40
CC(=O)N(C)C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001420525	1	47	0.0	-58.00	357.46	7.56	-50.44
CN(CC1=CC=CC(F)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001420635	0	43	0.0	-48.96	339.67	9.55	-39.41
CN(CC1=CC=CC(F)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001420635	1	43	0.0	-48.90	340.82	9.58	-39.32
O=C([O-])C1CCC[N@H+](CC(=O)NCC(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001420816	0	53	0.0	-46.16	399.47	10.95	-35.21
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(C2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001420816	1	53	0.0	-47.81	401.38	11.39	-36.42
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C3OCOC3=C2)C1	REAL300001420978	0	46	0.0	-51.19	356.16	6.39	-44.80
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C3OCOC3=C2)C1	REAL300001420978	1	46	0.0	-54.66	358.06	6.83	-47.83
CC1=CN(C2=CC=C(C(C)NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2F)N=C1	REAL300001421100	0	53	0.0	-59.49	418.20	10.28	-49.21
CC1=CN(C2=CC=C(C(C)NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2F)N=C1	REAL300001421100	1	53	0.0	-54.60	418.30	10.15	-44.45
CCOC(C)C1=NC(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CS1	REAL300001421221	0	52	0.0	-48.67	410.69	7.93	-40.74
CCOC(C)C1=NC(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CS1	REAL300001421221	1	52	0.0	-46.13	408.78	7.47	-38.66
NC(=O)C1=CC=CC=C1OC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001421350	0	52	0.0	-58.49	405.34	8.12	-50.37
NC(=O)C1=CC=CC=C1OC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001421350	1	52	0.0	-62.52	411.19	8.15	-54.37
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(N3CCCNC3=O)=C2)C1	REAL300001421464	0	50	0.0	-58.61	379.60	7.00	-51.61
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(N3CCCNC3=O)=C2)C1	REAL300001421464	1	50	0.0	-58.05	386.33	7.03	-51.02
CCCC1C(C)CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001421550	0	52	0.0	-45.00	354.36	10.15	-34.85
CCCC1C(C)CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001421550	1	52	0.0	-42.49	352.17	9.31	-33.18
CC(C)(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(F)(F)F	REAL300001421638	1	45	0.0	-48.83	338.18	7.54	-41.29
CC(C)(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(F)(F)F	REAL300001421638	1	45	0.0	-50.84	332.65	7.56	-43.28
CCC1=CN=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001421740	0	45	0.0	-50.78	360.18	6.87	-43.91
CCC1=CN=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001421740	1	45	0.0	-51.75	366.39	6.89	-44.86
CCC1=CN=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001421824	1	42	0.0	-48.50	345.00	6.12	-42.38
CCC1=CN=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001421824	1	42	0.0	-48.89	345.43	6.15	-42.74
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(CO)CC2=CC=CC=C2F)C1	REAL300001421933	0	50	0.0	-48.06	388.04	6.83	-41.23
O=C([O-])C1CCC[N@H+](CC(=O)NCC(CO)CC2=CC=CC=C2F)C1	REAL300001421933	1	50	0.0	-48.25	388.69	6.85	-41.40
COCCOCC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001422055	0	51	0.0	-46.12	383.71	6.28	-39.84
COCCOCC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001422055	1	51	0.0	-48.94	390.66	6.70	-42.24
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3(C2)CCCCCC3)C1	REAL300001422173	0	56	0.0	-46.28	372.06	10.83	-35.45
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3(C2)CCCCCC3)C1	REAL300001422173	1	56	0.0	-45.83	374.16	11.11	-34.72
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CSC3=CC=CC=C3)C2)C1	REAL300001422301	0	51	0.0	-49.09	401.79	11.63	-37.46
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CSC3=CC=CC=C3)C2)C1	REAL300001422301	1	51	0.0	-48.32	401.34	11.60	-36.72
CC1(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)NC(=O)NC1=O	REAL300001422424	0	52	0.0	-53.64	382.94	3.82	-49.82
CC1(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)NC(=O)NC1=O	REAL300001422424	1	52	0.0	-51.68	379.49	3.73	-47.95
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2CC2)C2=CC=CC=C2)C1	REAL300001422513	0	47	0.0	-46.21	357.52	11.40	-34.81
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2CC2)C2=CC=CC=C2)C1	REAL300001422513	1	47	0.0	-46.36	363.01	11.37	-34.99
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(CC1=CC=C(F)C=C1)C(C)C	REAL300001422610	0	58	0.0	-47.59	416.83	12.86	-34.73
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(CC1=CC=C(F)C=C1)C(C)C	REAL300001422610	1	58	0.0	-48.15	417.12	12.75	-35.40
CC1(CCC2=CC=CC=C2)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001422726	0	56	0.0	-47.54	416.63	12.16	-35.38
CC1(CCC2=CC=CC=C2)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001422726	1	56	0.0	-44.39	409.27	11.71	-32.68
CC(C)(CC1=CC=C(Cl)C=C1Cl)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001422842	0	49	0.0	-49.83	386.37	9.82	-40.01
CC(C)(CC1=CC=C(Cl)C=C1Cl)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001422842	1	49	0.0	-50.42	381.67	9.87	-40.55
CC(COC1CCOC1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001423012	0	48	0.0	-48.52	366.20	4.88	-43.64
CC(COC1CCOC1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001423012	1	48	0.0	-46.02	360.49	4.90	-41.12
COC1=CC=CC=C1CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)C	REAL300001423128	0	56	0.0	-45.34	410.49	10.13	-35.21
COC1=CC=CC=C1CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)C	REAL300001423128	1	56	0.0	-49.07	409.55	9.93	-39.14
CCC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC=C1Cl	REAL300001423246	0	50	0.0	-46.29	388.91	8.78	-37.51
CCC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC=C1Cl	REAL300001423246	1	50	0.0	-49.38	395.41	8.74	-40.64
CCC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC=C1F	REAL300001423371	0	50	0.0	-47.43	379.11	8.30	-39.13
CCC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC=C1F	REAL300001423371	1	50	0.0	-50.45	385.60	8.25	-42.20
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC2=CC=C(Cl)C=C2Cl)C1	REAL300001423531	0	46	0.0	-46.78	382.08	9.42	-37.36
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC2=CC=C(Cl)C=C2Cl)C1	REAL300001423531	1	46	0.0	-47.90	382.85	9.83	-38.07
CC1=NC(C2=CC=C(C)C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)=NN1	REAL300001423648	0	49	0.0	-56.65	385.84	8.91	-47.74
CC1=NC(C2=CC=C(C)C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)=NN1	REAL300001423648	1	49	0.0	-57.71	380.37	8.93	-48.78
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC(C(F)(F)F)=CS1	REAL300001423766	1	45	0.0	-50.27	367.73	6.48	-43.79
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC(C(F)(F)F)=CS1	REAL300001423766	1	45	0.0	-54.24	368.86	6.98	-47.26
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(Cl)=CC=C2OC(F)F)C1	REAL300001423888	0	44	0.0	-50.90	372.16	7.56	-43.34
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(Cl)=CC=C2OC(F)F)C1	REAL300001423888	1	44	0.0	-48.41	365.42	7.52	-40.89
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(COC)CC1=CC=CC=C1	REAL300001424003	0	56	0.0	-45.59	406.64	11.39	-34.20
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(COC)CC1=CC=CC=C1	REAL300001424003	1	56	0.0	-45.25	414.47	12.18	-33.07
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=NC3=CC(F)=CC=C3N2)C1	REAL300001424120	0	46	0.0	-54.34	362.84	6.50	-47.84
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=NC3=CC(F)=CC=C3N2)C1	REAL300001424120	1	46	0.0	-59.93	364.75	6.94	-52.99
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=NC3=CC=C(F)C=C3N2)C1	REAL300001424120	1	46	0.0	-52.76	362.75	6.49	-46.27
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=NC3=CC=C(F)C=C3N2)C1	REAL300001424120	1	46	0.0	-57.55	364.66	6.94	-50.61
COC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)(C)C	REAL300001424229	0	49	0.0	-48.11	356.40	6.09	-42.02
COC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)(C)C	REAL300001424229	1	49	0.0	-47.90	361.21	6.01	-41.89
CN(C)C(=O)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001424318	1	50	0.0	-51.56	378.45	7.55	-44.01
CN(C)C(=O)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001424318	1	50	0.0	-51.64	386.77	7.64	-44.00
COC1=CC=C(Cl)C=C1NC(=O)CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001424423	0	51	0.0	-57.64	416.62	6.35	-51.29
COC1=CC=C(Cl)C=C1NC(=O)CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001424423	1	51	0.0	-58.28	417.26	6.36	-51.92
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN3C(=NN=C3C3=CC=CC=C3)C2)C1	REAL300001424534	0	50	0.0	-56.13	375.58	10.16	-45.97
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN3C(=NN=C3C3=CC=CC=C3)C2)C1	REAL300001424534	1	50	0.0	-53.80	376.53	10.60	-43.20
CC1=C(C2=CC=C(Cl)C=C2)OC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001424652	0	49	0.0	-49.22	403.91	7.03	-42.19
CC1=C(C2=CC=C(Cl)C=C2)OC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300001424652	1	49	0.0	-51.06	410.01	7.04	-44.02
CCC(CC)N(CC(C)C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001424725	0	54	0.0	-44.05	371.72	10.89	-33.16
CCC(CC)N(CC(C)C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001424725	1	54	0.0	-42.94	366.72	10.71	-32.23
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300001424821	0	51	0.0	-51.95	381.51	8.64	-43.31
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300001424821	1	51	0.0	-48.96	374.73	8.60	-40.36
CC(C)C(CC1=CC=C(F)C=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001424927	0	52	0.0	-50.12	390.49	10.65	-39.47
CC(C)C(CC1=CC=C(F)C=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001424927	1	52	0.0	-47.61	385.02	9.90	-37.71
CC1CC1N1CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1=O	REAL300001425036	0	48	0.0	-57.85	367.18	6.80	-51.05
CC1CC1N1CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1=O	REAL300001425036	1	48	0.0	-58.15	361.81	6.81	-51.34
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC(=O)N(C3CC3C3=CC=CC=C3)C2)C1	REAL300001425153	0	55	0.0	-58.12	417.82	9.70	-48.42
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CC(=O)N(C3CC3C3=CC=CC=C3)C2)C1	REAL300001425153	1	55	0.0	-57.64	423.19	9.69	-47.95
CCSC1CCC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001425267	0	50	0.0	-48.11	378.44	10.23	-37.88
CCSC1CCC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001425267	1	50	0.0	-48.71	373.52	10.26	-38.45
O=C([O-])C1CCC[N@H+](CC(=O)NCCNS(=O)(=O)CC2=NOC=C2)C1	REAL300001425387	0	47	0.0	-65.62	391.70	1.76	-63.86
O=C([O-])C1CCC[N@@H+](CC(=O)NCCNS(=O)(=O)CC2=NOC=C2)C1	REAL300001425387	1	47	0.0	-62.99	391.06	1.74	-61.25
CC(C)C1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCS1	REAL300001425478	0	47	0.0	-48.11	349.12	9.08	-39.03
CC(C)C1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCS1	REAL300001425478	1	47	0.0	-44.89	341.66	8.62	-36.27
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300001425587	0	48	0.0	-52.60	388.17	6.94	-45.66
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC(C2=CC=CC(F)=C2)=NO1	REAL300001425587	1	48	0.0	-50.35	388.21	6.94	-43.41
CC(O)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CO1	REAL300001425673	0	44	0.0	-49.91	346.20	3.80	-46.11
CC(O)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CO1	REAL300001425673	1	44	0.0	-50.56	346.09	3.82	-46.74
CCN(CC(=O)NC1=C(C)C=CC=C1C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001425866	0	56	0.0	-50.84	424.72	10.62	-40.22
CCN(CC(=O)NC1=C(C)C=CC=C1C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001425866	1	56	0.0	-47.93	417.24	10.15	-37.78
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CC1C1CCCCC1	REAL300001425957	0	50	0.0	-47.68	370.89	9.16	-38.52
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CC1C1CCCCC1	REAL300001425957	1	50	0.0	-46.84	369.75	9.11	-37.73
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1C(F)(F)F	REAL300001426070	0	46	0.0	-49.74	356.99	9.51	-40.23
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1C(F)(F)F	REAL300001426070	1	46	0.0	-45.80	357.06	9.50	-36.30
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(F)C=C2OC(F)F)C1	REAL300001426190	1	41	0.0	-51.78	328.65	7.09	-44.69
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(F)C=C2OC(F)F)C1	REAL300001426190	1	41	0.0	-50.96	328.67	6.64	-44.32
CC1=CSC(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)=N1	REAL300001426296	1	46	0.0	-50.49	363.82	7.88	-42.61
CC1=CSC(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)=N1	REAL300001426296	1	46	0.0	-50.34	361.25	7.38	-42.96
CCC(CC1=CC=CC=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001426399	0	52	0.0	-44.00	381.05	11.62	-32.38
CCC(CC1=CC=CC=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001426399	1	52	0.0	-47.72	391.03	12.16	-35.56
CC1=CN=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)S1	REAL300001426502	1	46	0.0	-46.98	364.89	8.16	-38.82
CC1=CN=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)S1	REAL300001426502	1	46	0.0	-44.63	362.31	7.65	-36.98
CCC(CC)C1=NOC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001426644	0	51	0.0	-48.39	384.90	8.05	-40.34
CCC(CC)C1=NOC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001426644	1	51	0.0	-51.85	392.78	8.17	-43.68
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)SC1=CC=CC=C1	REAL300001426768	0	47	0.0	-46.21	365.80	9.24	-36.97
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)SC1=CC=CC=C1	REAL300001426768	1	47	0.0	-48.73	372.08	9.27	-39.46
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=CC=C(F)C=C1	REAL300001426892	0	47	0.0	-47.73	364.42	7.71	-40.02
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=CC=C(F)C=C1	REAL300001426892	1	47	0.0	-50.17	370.94	7.66	-42.51
COC1=CC=CC(OC(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001427017	0	51	0.0	-49.24	393.05	6.94	-42.30
COC1=CC=CC(OC(C)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001427017	1	51	0.0	-50.49	393.70	6.97	-43.52
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC(Br)=C1	REAL300001427131	0	47	0.0	-48.17	384.87	8.27	-39.90
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC(Br)=C1	REAL300001427131	1	47	0.0	-48.91	385.51	8.29	-40.62
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=CC=C(Cl)C=C1	REAL300001427240	0	47	0.0	-47.07	374.74	8.17	-38.90
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=CC=C(Cl)C=C1	REAL300001427240	1	47	0.0	-49.39	381.25	8.12	-41.27
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC(F)=C1	REAL300001427369	0	47	0.0	-48.72	369.98	7.70	-41.02
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC(F)=C1	REAL300001427369	1	47	0.0	-49.48	370.62	7.73	-41.75
COC1=CC=CC=C1OC(C)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001427494	0	51	0.0	-50.05	387.58	7.47	-42.58
COC1=CC=CC=C1OC(C)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001427494	1	51	0.0	-49.74	393.48	7.55	-42.19
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC=C1F	REAL300001427622	0	47	0.0	-50.89	364.55	7.66	-43.23
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC=C1F	REAL300001427622	1	47	0.0	-50.43	370.46	7.73	-42.70
CC1=CC=CC(OC(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001427746	0	50	0.0	-48.17	385.29	8.26	-39.91
CC1=CC=CC(OC(C)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001427746	1	50	0.0	-48.58	385.62	8.34	-40.24
CC1=CC=CC=C1OC(C)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001427870	0	50	0.0	-47.87	378.38	8.34	-39.53
CC1=CC=CC=C1OC(C)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001427870	1	50	0.0	-48.47	384.28	8.42	-40.05
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC(C(F)(F)F)=C3)CCC2)C1	REAL300001427982	0	53	0.0	-50.32	418.45	10.87	-39.45
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC(C(F)(F)F)=C3)CCC2)C1	REAL300001427982	1	53	0.0	-51.69	410.09	10.75	-40.94
CCN(C1=CC=CC=C1)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001428089	0	58	0.0	-47.17	445.28	12.17	-35.00
CCN(C1=CC=CC=C1)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001428089	1	58	0.0	-48.56	451.67	12.21	-36.35
CSC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300001428196	0	48	0.0	-47.86	359.49	6.21	-41.65
CSC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300001428196	1	48	0.0	-48.49	359.29	6.22	-42.27
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCCC1=NN=C2CCCCCN12	REAL300001428320	0	55	0.0	-55.26	402.17	8.75	-46.51
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCCC1=NN=C2CCCCCN12	REAL300001428320	1	55	0.0	-55.13	405.04	9.22	-45.91
CCOC1CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C12CCCCC2	REAL300001428448	0	57	0.0	-44.95	404.75	8.76	-36.19
CCOC1CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C12CCCCC2	REAL300001428448	1	57	0.0	-48.79	404.99	9.34	-39.45
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC1C1=CC=CC=C1	REAL300001428579	0	53	0.0	-47.81	390.02	11.41	-36.40
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC1C1=CC=CC=C1	REAL300001428579	1	53	0.0	-44.67	383.32	10.95	-33.72
CS(=O)CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001428697	1	48	0.0	-47.48	375.93	8.42	-39.06
CS(=O)CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001428697	1	48	0.0	-40.47	366.43	8.56	-31.91
CC1=CC=C(CCN(CC2=CC=CO2)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001428802	0	56	0.0	-48.83	430.28	12.80	-36.03
CC1=CC=C(CCN(CC2=CC=CO2)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001428802	1	56	0.0	-45.34	426.51	12.89	-32.45
CC1=CC=C(CCN(CC2CCCO2)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001428910	0	60	0.0	-44.46	451.15	12.37	-32.09
CC1=CC=C(CCN(CC2CCCO2)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001428910	1	60	0.0	-41.69	439.18	12.18	-29.51
COC1=CC=C(C2=CC=C(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)C=C1	REAL300001429052	0	54	0.0	-49.49	414.15	10.12	-39.37
COC1=CC=C(C2=CC=C(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)C=C1	REAL300001429052	1	54	0.0	-48.19	412.24	9.67	-38.52
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=C3NC=NC3=C2)C1	REAL300001429155	0	53	0.0	-57.62	417.70	11.14	-46.48
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=C3NC=NC3=C2)C1	REAL300001429155	1	53	0.0	-56.89	416.49	11.10	-45.79
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=C3N=CNC3=C2)C1	REAL300001429155	1	53	0.0	-56.42	417.68	11.13	-45.29
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=C3N=CNC3=C2)C1	REAL300001429155	1	53	0.0	-55.63	416.52	11.09	-44.54
CC(CCC1=CC=CN1C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001429251	0	50	0.0	-50.12	383.53	9.35	-40.77
CC(CCC1=CC=CN1C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001429251	1	50	0.0	-51.84	378.03	9.38	-42.46
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=NN(C3=CC=C(F)C=C3)C=C2)C1	REAL300001429450	0	50	0.0	-51.07	395.34	8.90	-42.17
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=NN(C3=CC=C(F)C=C3)C=C2)C1	REAL300001429450	1	50	0.0	-56.20	397.25	9.34	-46.86
CC1=CC(C)=NN1C1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001429573	0	56	0.0	-53.81	434.14	10.46	-43.35
CC1=CC(C)=NN1C1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001429573	1	56	0.0	-51.53	428.67	10.49	-41.04
CCC(CC)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CS1	REAL300001429683	0	52	0.0	-44.27	380.60	9.98	-34.29
CCC(CC)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CS1	REAL300001429683	1	52	0.0	-46.54	390.81	10.09	-36.45
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(F)=CC3=C2OCOC3)C1	REAL300001429887	0	46	0.0	-49.32	366.54	6.59	-42.73
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(F)=CC3=C2OCOC3)C1	REAL300001429887	1	46	0.0	-47.97	360.37	6.57	-41.40
CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001430006	0	56	0.0	-50.07	427.42	10.63	-39.44
CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001430006	1	56	0.0	-55.73	416.71	10.57	-45.16
CC1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCS(=O)(=O)C1	REAL300001430169	1	43	0.0	-57.96	332.26	2.96	-55.00
CC1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCS(=O)(=O)C1	REAL300001430169	1	43	0.0	-54.71	326.76	2.98	-51.73
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300001430373	0	56	0.0	-48.97	416.55	11.92	-37.05
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300001430373	1	56	0.0	-45.54	415.44	11.48	-34.06
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=NNC=C2)CC2=CC=CC=C2)C1	REAL300001430518	0	50	0.0	-49.47	384.36	9.71	-39.76
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=NNC=C2)CC2=CC=CC=C2)C1	REAL300001430518	1	50	0.0	-49.13	391.17	9.71	-39.42
CC(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC2=CC=CC=C2N1	REAL300001430629	0	52	0.0	-51.91	382.34	8.41	-43.50
CC(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC2=CC=CC=C2N1	REAL300001430629	1	52	0.0	-47.05	389.73	7.65	-39.40
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C(=O)C3=CC(F)=CC=C3F)CC2)C1	REAL300001430787	0	52	0.0	-56.27	405.74	11.05	-45.22
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C(=O)C3=CC(F)=CC=C3F)CC2)C1	REAL300001430787	1	52	0.0	-54.99	398.84	11.02	-43.97
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=CC(Cl)=C2)C1	REAL300001430884	0	50	0.0	-49.77	408.88	12.00	-37.77
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=CC(Cl)=C2)C1	REAL300001430884	1	50	0.0	-49.43	407.72	11.96	-37.47
CN1C2=CC=C(F)C=C2N=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001430997	0	49	0.0	-57.45	384.90	8.54	-48.91
CN1C2=CC=C(F)C=C2N=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001430997	1	49	0.0	-55.37	383.84	8.12	-47.25
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC(=O)N2CCC3=CC=CC=C32)C1	REAL300001431126	0	54	0.0	-53.26	413.74	9.19	-44.07
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC(=O)N2CCC3=CC=CC=C32)C1	REAL300001431126	1	54	0.0	-52.63	413.10	9.16	-43.47
COC1CCC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001431258	0	50	0.0	-46.33	353.55	7.86	-38.47
COC1CCC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001431258	1	50	0.0	-46.88	353.44	7.86	-39.02
CC(C1=CC=CC(C(F)(F)F)=C1)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300001431347	0	53	0.0	-46.89	398.71	11.79	-35.10
CC(C1=CC=CC(C(F)(F)F)=C1)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300001431347	1	53	0.0	-49.02	404.51	11.74	-37.28
CC(C)C1CCC(C)CC1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001431432	0	55	0.0	-46.32	383.58	9.36	-36.96
CC(C)C1CCC(C)CC1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001431432	1	55	0.0	-46.04	370.01	10.31	-35.73
COC1=CC=CC(CN(CC2CCCO2)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001431528	0	58	0.0	-44.77	435.10	10.32	-34.45
COC1=CC=CC(CN(CC2CCCO2)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001431528	1	58	0.0	-50.62	432.34	10.01	-40.61
CCOC1=CC2=C(C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC(C)C2	REAL300001431628	1	52	0.0	-47.69	390.53	7.83	-39.86
CCOC1=CC2=C(C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC(C)C2	REAL300001431628	1	52	0.0	-51.29	391.17	8.26	-43.03
CCN1C2=CC=CC=C2N=C1C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001431749	0	52	0.0	-49.36	396.77	8.92	-40.44
CCN1C2=CC=CC=C2N=C1C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001431749	1	52	0.0	-47.37	398.98	9.41	-37.96
O=C([O-])C1CCC[N@H+](CC(=O)NCCCOC2=CC=C(F)C=C2)C1	REAL300001431878	0	47	0.0	-51.57	374.58	7.85	-43.72
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCOC2=CC=C(F)C=C2)C1	REAL300001431878	1	47	0.0	-51.01	373.94	7.83	-43.18
CCC(C)SC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001431994	0	53	0.0	-48.39	406.64	11.07	-37.32
CCC(C)SC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001431994	1	53	0.0	-50.12	398.80	11.24	-38.88
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(NC3CCCCC3)C=C2)C1	REAL300001432115	0	55	0.0	-49.08	408.21	9.49	-39.59
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(NC3CCCCC3)C=C2)C1	REAL300001432115	1	55	0.0	-49.12	401.87	9.51	-39.61
CCN1C2=CC=CC=C2N=C1C1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001432231	0	56	0.0	-49.07	421.42	11.35	-37.72
CCN1C2=CC=CC=C2N=C1C1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001432231	1	56	0.0	-52.32	427.11	11.37	-40.95
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(Cl)C=C3)CCCC2)C1	REAL300001432333	0	50	0.0	-46.64	376.94	10.03	-36.61
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C(Cl)C=C3)CCCC2)C1	REAL300001432333	1	50	0.0	-49.94	378.18	10.43	-39.51
CN1C=C(CCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300001432473	0	46	0.0	-52.32	361.87	6.73	-45.59
CN1C=C(CCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300001432473	1	46	0.0	-53.00	362.52	6.76	-46.24
COC1=CC=C(OC(C)C)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001432683	1	51	0.0	-49.08	386.91	7.57	-41.51
COC1=CC=C(OC(C)C)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001432683	1	51	0.0	-50.07	382.97	7.55	-42.52
CCC(C)C(C)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300001432805	0	52	0.0	-43.86	362.03	10.59	-33.27
CCC(C)C(C)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300001432805	1	52	0.0	-44.02	369.92	10.56	-33.46
CCC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001432881	0	49	0.0	-47.26	359.10	9.58	-37.68
CCC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001432881	1	49	0.0	-48.01	360.29	9.56	-38.45
CCSC1CCCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001433010	0	50	0.0	-47.73	372.64	10.43	-37.30
CCSC1CCCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001433010	1	50	0.0	-44.47	365.22	9.96	-34.51
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)CS(C)(=O)=O	REAL300001433164	0	48	0.0	-52.83	358.70	6.05	-46.78
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)CS(C)(=O)=O	REAL300001433164	1	48	0.0	-49.07	357.74	5.63	-43.44
O=C([O-])C1CCC[N@H+](CC(=O)NCCC(=O)NC2=CC=CC=C2)C1	REAL300001433278	0	47	0.0	-58.35	371.99	6.42	-51.93
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC(=O)NC2=CC=CC=C2)C1	REAL300001433278	1	47	0.0	-57.65	371.08	6.42	-51.23
CC(C)N1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1=O	REAL300001433368	0	47	0.0	-54.48	356.83	6.08	-48.40
CC(C)N1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1=O	REAL300001433368	1	47	0.0	-55.32	358.08	6.09	-49.23
COC1=CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1C	REAL300001433476	0	50	0.0	-51.72	381.57	8.22	-43.50
COC1=CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1C	REAL300001433476	1	50	0.0	-48.49	379.67	7.77	-40.72
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(N2C=CC=N2)=C1	REAL300001433602	0	50	0.0	-54.66	391.97	9.45	-45.21
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(N2C=CC=N2)=C1	REAL300001433602	1	50	0.0	-55.41	393.05	9.48	-45.93
CN(CC1=NC(C(F)(F)F)=CS1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001433734	0	42	0.0	-46.56	354.05	7.67	-38.89
CN(CC1=NC(C(F)(F)F)=CS1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001433734	1	42	0.0	-52.28	360.22	7.65	-44.63
CCOCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001433848	0	47	0.0	-51.16	361.46	8.03	-43.13
CCOCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001433848	1	47	0.0	-51.57	367.52	8.01	-43.56
CC1=CC=C(N2CCCC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=O)C=C1	REAL300001434017	0	54	0.0	-53.92	415.28	9.39	-44.53
CC1=CC=C(N2CCCC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=O)C=C1	REAL300001434017	1	54	0.0	-61.27	408.85	9.37	-51.90
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC(C(F)(F)F)=C3)CCC2)C1	REAL300001434129	0	50	0.0	-48.54	385.27	9.85	-38.69
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC(C(F)(F)F)=C3)CCC2)C1	REAL300001434129	1	50	0.0	-50.51	386.58	10.38	-40.13
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(COCC3=CC=CC=C3)C2)C1	REAL300001434244	0	54	0.0	-48.48	416.94	10.47	-38.01
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(COCC3=CC=CC=C3)C2)C1	REAL300001434244	1	54	0.0	-47.97	417.04	10.46	-37.51
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3CCCC3)C(F)=C2)C1	REAL300001434375	1	51	0.0	-57.26	385.40	9.59	-47.67
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3CCCC3)C(F)=C2)C1	REAL300001434375	1	51	0.0	-55.48	390.85	9.57	-45.91
CC1=CC=CC(C2CCCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001434495	0	56	0.0	-46.16	391.75	11.82	-34.34
CC1=CC=CC(C2CCCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300001434495	1	56	0.0	-43.00	390.51	11.48	-31.52
CC1=CC(C)=CC(CC(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001434613	0	52	0.0	-47.79	398.58	10.51	-37.28
CC1=CC(C)=CC(CC(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001434613	1	52	0.0	-47.93	393.19	10.54	-37.39
CC(OC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001434842	1	54	0.0	-46.42	411.21	10.96	-35.46
CC(OC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001434842	1	54	0.0	-47.15	412.56	11.39	-35.76
CC(C)(C)C1OCCCC1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001434952	0	56	0.0	-47.77	387.25	7.67	-40.10
CC(C)(C)C1OCCCC1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001434952	1	56	0.0	-49.20	388.81	7.69	-41.51
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CS3)CCCCC2)C1	REAL300001435079	0	53	0.0	-46.24	396.99	10.12	-36.12
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CS3)CCCCC2)C1	REAL300001435079	1	53	0.0	-45.29	390.80	10.10	-35.19
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC(F)=C3)CC2)C1	REAL300001435186	0	44	0.0	-46.74	340.00	8.47	-38.27
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC(F)=C3)CC2)C1	REAL300001435186	1	44	0.0	-50.66	342.90	9.13	-41.53
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC(Cl)=C3)CC2)C1	REAL300001435297	0	47	0.0	-45.63	368.70	9.30	-36.33
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC(Cl)=C3)CC2)C1	REAL300001435297	1	47	0.0	-46.20	372.92	9.71	-36.49
CC(O)CC(C)(C)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001435377	0	49	0.0	-46.99	357.62	4.98	-42.01
CC(O)CC(C)(C)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001435377	1	49	0.0	-44.63	351.10	4.51	-40.12
O=C([O-])C1CCCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001436399	0	50	0.0	-86.21	368.10	11.95	-74.26
CC1=NC(C[NH+]2CCC(C(=O)N3CCCCC3C(=O)[O-])CC2)=CS1	REAL300001437629	1	49	0.0	-86.48	373.10	9.54	-76.94
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300001437674	0	53	0.0	-89.03	401.60	11.55	-77.48
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001437679	0	53	0.0	-96.66	404.77	13.73	-82.93
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001437679	1	53	0.0	-95.99	404.73	13.74	-82.25
O=C([O-])C1CCCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300001437790	0	43	0.0	-80.64	343.59	9.20	-71.44
O=C([O-])C1CCCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300001437808	0	51	0.0	-88.98	355.40	8.71	-80.27
CC[N@H+](CC1=CC=C(C(=O)N2CCCCC2C(=O)[O-])C=C1)C(C)C	REAL300001437826	0	52	0.0	-96.92	363.46	11.25	-85.67
CC[N@@H+](CC1=CC=C(C(=O)N2CCCCC2C(=O)[O-])C=C1)C(C)C	REAL300001437826	1	52	0.0	-78.29	372.22	11.36	-66.93
O=C([O-])C1CCCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001437841	0	47	0.0	-73.72	346.81	10.99	-62.73
O=C([O-])C1CCCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001437841	1	47	0.0	-74.07	351.29	11.17	-62.90
O=C([O-])C1CCCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001437842	0	48	0.0	-87.46	350.75	10.61	-76.85
O=C([O-])C1CCCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300001437863	0	51	0.0	-76.38	344.21	8.40	-67.98
CC(C(=O)N1CCCCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300001437866	0	46	0.0	-58.45	334.20	10.46	-47.99
CC(C(=O)N1CCCCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300001437866	1	46	0.0	-65.12	339.69	10.44	-54.68
O=C([O-])C1CCCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001437872	0	53	0.0	-78.66	390.50	12.72	-65.94
O=C([O-])C1CCCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001437872	1	53	0.0	-79.36	387.68	12.60	-66.76
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300001437907	0	47	0.0	-97.39	348.00	11.11	-86.28
O=C([O-])C1CCCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001437911	0	50	0.0	-90.99	369.65	12.00	-78.99
CCN1CCC([NH+]2CCC(C(=O)N3CCCCC3C(=O)[O-])CC2)CC1	REAL300001437917	0	58	0.0	-82.44	400.70	9.53	-72.91
CC1C[NH+](CC2=CC=C(C(=O)N3CCCCC3C(=O)[O-])C=C2)CC(C)O1	REAL300001437923	1	54	0.0	-98.88	399.89	10.93	-87.95
O=C([O-])C1CCCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001437933	1	51	0.0	-90.16	375.11	10.90	-79.26
O=C([O-])C1CCCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001437933	1	51	0.0	-86.12	381.94	10.96	-75.16
CC1=C(C(=O)N2CCCCC2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300001437947	1	41	0.0	-88.00	318.14	8.31	-79.69
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001437950	0	50	0.0	-97.57	364.74	11.82	-85.75
O=C([O-])C1CCCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300001437960	1	43	0.0	-84.76	327.83	9.18	-75.58
C[NH+](C)CCC1=CC=C(C(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300001437961	0	46	0.0	-99.83	347.50	10.89	-88.94
O=C([O-])C1CCCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001437964	1	48	0.0	-71.48	348.66	9.65	-61.83
O=C([O-])C1CCCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001437964	1	48	0.0	-89.47	356.89	10.10	-79.37
CC(C(=O)N1CCCCC1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001437972	0	56	0.0	-46.05	400.27	12.62	-33.43
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCCC1C(=O)[O-]	REAL300001437998	0	46	0.0	-67.95	346.64	11.12	-56.83
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCCC1C(=O)[O-]	REAL300001437998	1	46	0.0	-67.83	346.59	11.10	-56.73
COCCOCC[N@H+](C)CCC(=O)N1CCCCC1C(=O)[O-]	REAL300001437999	0	50	0.0	-72.41	374.95	7.24	-65.17
COCCOCC[N@@H+](C)CCC(=O)N1CCCCC1C(=O)[O-]	REAL300001437999	1	50	0.0	-75.21	375.77	7.43	-67.78
O=C([O-])C1CCCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001438005	0	55	0.0	-81.30	401.82	10.95	-70.35
CC(C)[NH+]1CCN(CCC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300001438029	0	51	0.0	-80.45	362.88	7.98	-72.47
CC(C)N1CC[NH+](CCC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300001438029	1	51	0.0	-73.31	362.27	7.96	-65.35
CC(C)[NH+]1CCN(CCCC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300001438030	0	54	0.0	-79.54	384.43	8.78	-70.76
CC(C)N1CC[NH+](CCCC(=O)N2CCCCC2C(=O)[O-])CC1	REAL300001438030	1	54	0.0	-77.29	380.88	8.58	-68.71
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCCC3C(=O)[O-])CC2)=C1	REAL300001438034	0	55	0.0	-76.97	401.22	10.77	-66.20
O=C([O-])C1CCCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001438035	0	52	0.0	-76.62	380.33	10.15	-66.47
O=C([O-])C1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300001438038	0	49	0.0	-71.90	355.43	10.18	-61.72
O=C([O-])C1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300001438038	1	49	0.0	-63.68	353.58	9.83	-53.85
CC(C(=O)N1CCCCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300001438042	1	47	0.0	-51.05	338.01	10.08	-40.97
CC(C(=O)N1CCCCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300001438042	1	47	0.0	-53.47	343.87	10.55	-42.92
O=C([O-])C1CCCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001438058	0	50	0.0	-81.73	370.48	11.92	-69.81
O=C([O-])C1CCCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001438058	1	50	0.0	-82.56	372.13	12.03	-70.53
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCCC2C(=O)[O-])=NN1	REAL300001438068	1	44	0.0	-90.06	329.96	8.13	-81.93
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCCC2C(=O)[O-])=NN1	REAL300001438068	1	44	0.0	-88.03	329.94	7.94	-80.09
O=C([O-])C1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300001438075	0	50	0.0	-70.62	364.84	11.67	-58.95
O=C([O-])C1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300001438075	1	50	0.0	-75.80	371.45	11.78	-64.02
O=C([O-])C1CCCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300001438077	0	51	0.0	-75.44	378.08	9.57	-65.87
O=C([O-])C1CCCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300001438098	0	50	0.0	-72.59	349.62	10.56	-62.03
O=C([O-])C1CCCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300001438098	1	50	0.0	-76.81	350.87	10.60	-66.21
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)CC1	REAL300001438114	0	52	0.0	-96.11	386.79	9.59	-86.52
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300001438115	0	52	0.0	-94.19	381.69	9.40	-84.79
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300001438115	1	52	0.0	-98.38	381.27	9.26	-89.12
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300001438116	0	53	0.0	-94.80	386.22	11.00	-83.80
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001438166	0	54	0.0	-99.89	396.42	9.12	-90.77
O=C([O-])C1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001438168	0	50	0.0	-64.59	357.73	11.76	-52.83
O=C([O-])C1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001438168	1	50	0.0	-71.85	368.65	11.87	-59.98
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCCC3C(=O)[O-])=CC=C1N2	REAL300001438246	1	48	0.0	-84.74	367.23	10.44	-74.30
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCCC3C(=O)[O-])=CC=C1N2	REAL300001438246	1	48	0.0	-91.80	357.89	10.37	-81.43
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCCC2C(=O)[O-])O1	REAL300001438284	0	46	0.0	-90.67	340.28	9.76	-80.91
CC1=CC=C(N2CCC(C(=O)N3CCCCC3C(=O)[O-])CC2)[NH+]=C1	REAL300001438286	1	49	0.0	-83.13	361.04	9.82	-73.31
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCCC3C(=O)[O-])C=C2)CC1	REAL300001438289	0	55	0.0	-95.05	392.65	10.42	-84.63
O=C([O-])C1CCCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300001438296	1	38	0.0	-86.24	304.86	8.04	-78.20
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCC1C(=O)[O-]	REAL300001438320	0	50	0.0	-71.59	365.92	11.56	-60.03
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCC1C(=O)[O-]	REAL300001438320	1	50	0.0	-80.82	370.24	11.74	-69.08
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300001438335	0	51	0.0	-96.03	388.81	11.28	-84.75
O=C([O-])C1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001438347	0	47	0.0	-91.06	349.45	10.43	-80.63
C[N@@H+]1CC(C(=O)N2CCCCC2C(=O)[O-])C(C(F)(F)F)C1	REAL300001438581	0	40	0.0	-70.60	290.12	8.03	-62.57
C[N@H+]1CC(C(=O)N2CCCCC2C(=O)[O-])C(C(F)(F)F)C1	REAL300001438581	1	40	0.0	-69.65	290.41	7.93	-61.72
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001438857	0	46	0.0	-94.18	350.58	10.99	-83.19
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300001438860	0	47	0.0	-97.64	352.97	9.76	-87.88
O=C([O-])C1CCCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001438918	0	53	0.0	-78.98	387.26	12.64	-66.34
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCCC3C(=O)[O-])C=C2)CCO1	REAL300001438920	1	51	0.0	-81.49	377.41	10.47	-71.02
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCCC3C(=O)[O-])C=C2)CCO1	REAL300001438920	1	51	0.0	-83.40	379.35	10.19	-73.21
CC(C)(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001439722	0	46	0.0	-63.73	348.32	8.59	-55.14
CC1=NC(C[NH+]2CCC(C(=O)NC(C)(C)C(=O)[O-])CC2)=CS1	REAL300001440610	1	45	0.0	-62.21	355.72	6.35	-55.86
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300001440635	0	49	0.0	-65.75	381.25	8.11	-57.64
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C)(C)C(=O)[O-])=C1	REAL300001440638	0	49	0.0	-70.47	382.03	10.42	-60.05
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C)(C)C(=O)[O-])=C1	REAL300001440638	1	49	0.0	-70.03	382.04	10.43	-59.60
CC[N@H+](CC1=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C1)C(C)C	REAL300001440725	0	48	0.0	-66.15	346.48	8.29	-57.86
CC[N@@H+](CC1=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C1)C(C)C	REAL300001440725	1	48	0.0	-67.80	345.47	8.19	-59.61
CC(C)(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300001440737	0	44	0.0	-65.35	330.99	7.25	-58.10
CC(C)(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001440757	0	49	0.0	-55.62	364.57	9.62	-46.00
CC(C)(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001440757	1	49	0.0	-61.95	370.85	9.41	-52.54
CC(C)(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300001440784	0	46	0.0	-65.26	346.89	8.69	-56.57
CCN1CCC([NH+]2CCC(C(=O)NC(C)(C)C(=O)[O-])CC2)CC1	REAL300001440789	0	54	0.0	-60.27	378.07	6.08	-54.19
CC1C[NH+](CC2=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C2)CC(C)O1	REAL300001440794	1	50	0.0	-70.28	380.16	7.72	-62.56
CC(C)(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001440803	1	47	0.0	-66.79	354.73	7.74	-59.05
CC(C)(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001440803	1	47	0.0	-66.78	354.79	7.75	-59.03
CC(C)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300001440814	0	46	0.0	-68.13	346.58	8.65	-59.48
CC(C)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001440822	1	44	0.0	-54.25	334.20	7.07	-47.18
CC(C)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001440822	1	44	0.0	-54.26	334.24	7.07	-47.19
CC(C(=O)NC(C)(C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001440826	0	52	0.0	-51.75	380.03	9.69	-42.06
CC(C)(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001440840	0	51	0.0	-64.41	381.48	7.51	-56.90
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C)(C)C(=O)[O-])CC2)=C1	REAL300001440855	0	51	0.0	-61.58	381.38	7.37	-54.21
CC(C)(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001440856	0	48	0.0	-61.51	359.99	6.70	-54.81
CC(C)(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001440858	0	45	0.0	-62.23	343.27	6.79	-55.44
CC(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001440858	1	45	0.0	-58.95	336.90	6.90	-52.05
CC(C)(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001440872	0	46	0.0	-63.06	350.27	8.51	-54.55
CC(C)(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001440872	1	46	0.0	-63.53	352.65	8.61	-54.92
CC(C)(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001440880	0	46	0.0	-62.28	354.76	8.62	-53.66
CC(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001440880	1	46	0.0	-58.24	348.43	8.82	-49.42
CC(C)(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001440882	0	47	0.0	-61.20	357.71	6.12	-55.08
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C)(C)C(=O)[O-])CC1	REAL300001440891	1	46	0.0	-66.70	344.71	6.79	-59.91
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(C)(C)C(=O)[O-])=C2)CC1	REAL300001440899	0	48	0.0	-64.43	364.01	6.26	-58.17
C[NH+]1CCN(CC2=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C2)CC1	REAL300001440900	0	48	0.0	-65.57	363.07	6.08	-59.49
CN1CC[NH+](CC2=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C2)CC1	REAL300001440900	1	48	0.0	-68.72	363.40	6.14	-62.58
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300001440901	0	49	0.0	-66.44	366.50	7.70	-58.74
CC(C)(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001440918	0	50	0.0	-70.27	378.56	6.00	-64.27
CC(C)(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001440920	0	46	0.0	-58.05	348.32	8.55	-49.50
CC(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001440920	1	46	0.0	-56.13	342.03	8.75	-47.38
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C)(C)C(=O)[O-])=CC=C1N2	REAL300001440974	1	44	0.0	-72.46	340.12	7.28	-65.18
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C)(C)C(=O)[O-])=CC=C1N2	REAL300001440974	1	44	0.0	-72.07	340.32	7.26	-64.81
CC1=CC=C(N2CCC(C(=O)NC(C)(C)C(=O)[O-])CC2)[NH+]=C1	REAL300001440994	1	45	0.0	-57.82	341.22	6.44	-51.38
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C2)CC1	REAL300001440996	0	51	0.0	-67.79	373.34	7.21	-60.58
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(C)C(=O)[O-]	REAL300001441008	0	46	0.0	-61.50	348.69	8.37	-53.13
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(C)C(=O)[O-]	REAL300001441008	1	46	0.0	-61.50	349.32	8.41	-53.09
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300001441021	0	47	0.0	-68.74	369.65	7.84	-60.90
CC(C)(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001441336	0	49	0.0	-61.11	366.89	9.30	-51.81
CC1C[N@H+](CC2=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C2)CCO1	REAL300001441337	1	47	0.0	-70.02	352.68	7.01	-63.01
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C)(C)C(=O)[O-])C=C2)CCO1	REAL300001441337	1	47	0.0	-70.12	352.74	7.01	-63.11
C[NH+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001441989	0	40	0.0	-68.39	333.16	6.12	-62.27
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442001	0	47	0.0	-60.34	375.19	7.69	-52.65
C[N@H+]1CCCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442001	1	47	0.0	-48.93	372.54	8.36	-40.57
C[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300001442013	0	47	0.0	-60.59	385.05	8.49	-52.10
O=C([O-])CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300001442028	0	42	0.0	-68.95	363.29	9.61	-59.34
C[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442048	0	44	0.0	-50.50	365.86	7.97	-42.53
C[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442048	1	44	0.0	-55.05	360.11	7.40	-47.65
C[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300001442069	0	47	0.0	-60.59	385.05	8.49	-52.10
CC1=[NH+]C=CN1CCCC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442086	1	48	0.0	-69.06	404.19	9.05	-60.01
C[C@@H](C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1)[NH+](C)C	REAL300001442089	0	43	0.0	-53.16	358.18	7.20	-45.96
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442090	0	44	0.0	-54.36	360.14	7.46	-46.90
C[N@H+]1CCC[C@@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442090	1	44	0.0	-61.30	357.96	7.18	-54.12
C[C@H](C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1)[NH+](C)C	REAL300001442093	0	43	0.0	-63.07	351.39	6.53	-56.54
CCC(C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1)[NH+](CC)CC	REAL300001442135	0	52	0.0	-59.52	397.08	8.50	-51.02
C[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300001442143	1	45	0.0	-58.81	377.73	7.37	-51.44
C[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300001442143	1	45	0.0	-66.92	363.69	6.38	-60.54
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442149	1	48	0.0	-50.84	405.86	9.52	-41.32
C[NH+](C)CC1(C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300001442155	0	47	0.0	-47.34	379.90	8.92	-38.42
C[NH+](C)CCCCC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442158	0	49	0.0	-74.72	398.52	8.25	-66.47
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442174	1	46	0.0	-59.62	382.39	7.17	-52.45
CCC[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442176	0	46	0.0	-51.06	379.42	8.24	-42.82
CCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442176	1	46	0.0	-52.44	379.37	8.21	-44.23
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1)C1CCC1	REAL300001442183	0	47	0.0	-48.56	386.29	8.81	-39.75
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1)C1CCC1	REAL300001442183	1	47	0.0	-49.96	386.37	8.78	-41.18
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1)CC(C)(C)C	REAL300001442192	0	52	0.0	-52.02	407.85	9.30	-42.72
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1)CC(C)(C)C	REAL300001442192	1	52	0.0	-51.21	410.40	9.38	-41.83
CC[C@@H](C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1)[NH+](C)C	REAL300001442193	0	46	0.0	-52.50	370.33	7.82	-44.68
O=C([O-])CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300001442211	1	42	0.0	-75.41	363.57	9.62	-65.79
C[C@@H]1[C@H](C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)CC[N@@H+]1C	REAL300001442235	0	47	0.0	-69.04	370.71	7.37	-61.67
C[C@@H]1[C@H](C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)CC[N@H+]1C	REAL300001442235	1	47	0.0	-70.17	374.50	7.31	-62.86
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)CC[N@@H+]1C	REAL300001442237	0	50	0.0	-60.91	397.26	8.44	-52.47
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)CC[N@H+]1C	REAL300001442237	1	50	0.0	-66.09	393.41	8.34	-57.75
CC1C[N@H+](C)CC(C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)O1	REAL300001442241	1	48	0.0	-60.49	391.65	7.95	-52.54
CC1C[N@@H+](C)CC(C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)O1	REAL300001442241	1	48	0.0	-80.12	384.11	6.85	-73.27
O=C([O-])CC(NC(=O)C[NH+]1CCCC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300001442243	0	44	0.0	-63.74	357.06	7.12	-56.62
CC1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442245	1	42	0.0	-52.72	369.57	8.40	-44.32
CC1CC[NH+](CC(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300001442261	0	50	0.0	-65.02	396.40	8.59	-56.43
CC[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300001442264	1	48	0.0	-77.02	388.10	7.24	-69.78
CC[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300001442264	1	48	0.0	-56.99	395.70	7.90	-49.09
C[N@@H+]1CCCC1CCC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442276	0	50	0.0	-60.79	403.61	9.26	-51.53
C[N@H+]1CCCC1CCC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442276	1	50	0.0	-67.38	394.96	8.17	-59.21
CC[NH+](CC)CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442286	0	46	0.0	-65.89	364.73	7.21	-58.68
O=C([O-])CC(NC(=O)C12CC[NH+](CC1)C2)C1=CC=C(OC(F)(F)F)C=C1	REAL300001442312	0	45	0.0	-70.35	364.73	6.63	-63.72
CCC(C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1)[NH+](C)C	REAL300001442315	0	46	0.0	-63.84	362.63	7.13	-56.71
O=C([O-])CC(NC(=O)C12CC[N@H+](C1)CCC2)C1=CC=C(OC(F)(F)F)C=C1	REAL300001442317	0	48	0.0	-68.90	374.47	7.34	-61.56
O=C([O-])CC(NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC=C(OC(F)(F)F)C=C1	REAL300001442317	1	48	0.0	-66.87	381.85	7.97	-58.90
CC1CCC(C)[NH+]1CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442334	0	50	0.0	-61.30	390.34	8.15	-53.15
C#CC[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300001442354	0	49	0.0	-62.26	409.72	9.65	-52.61
CC(C)[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442355	0	46	0.0	-50.77	374.56	8.00	-42.77
CC(C)[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442355	1	46	0.0	-49.53	374.61	8.02	-41.51
CC[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1)C1CC1	REAL300001442362	0	47	0.0	-60.56	381.71	8.13	-52.43
CC[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1)C1CC1	REAL300001442362	1	47	0.0	-60.41	378.18	7.88	-52.53
C[N@@H+]1CCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442370	0	44	0.0	-61.77	359.08	7.14	-54.63
C[N@H+]1CCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442370	1	44	0.0	-54.86	359.99	7.42	-47.44
CC(C)(C)[NH2+]CC(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442398	0	46	0.0	-65.92	372.10	5.83	-60.09
CC(C)[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442423	0	50	0.0	-54.87	382.28	9.71	-45.16
CC(C)[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300001442423	1	50	0.0	-60.36	391.95	8.21	-52.15
CC1=C(C)[NH+]=C(CCC(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)N1	REAL300001442554	1	48	0.0	-62.57	403.38	7.40	-55.17
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300001442740	0	47	0.0	-62.10	389.58	8.66	-53.44
CC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300001442762	0	50	0.0	-58.42	401.95	9.19	-49.23
CC[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300001442762	1	50	0.0	-65.91	395.55	8.38	-57.53
C[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300001442766	0	47	0.0	-67.92	377.44	7.72	-60.20
C[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300001442766	1	47	0.0	-68.01	377.58	7.75	-60.26
O=C([O-])CC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300001442770	0	49	0.0	-55.95	392.22	9.25	-46.70
O=C([O-])CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300001442770	1	49	0.0	-66.11	390.91	9.35	-56.76
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300001443636	0	57	0.0	-70.77	444.52	11.50	-59.27
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300001444780	0	51	0.0	-78.89	390.72	8.68	-70.21
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCC3=C[NH+]=C(C)N3C2)=C1	REAL300001444804	1	49	0.0	-70.80	384.47	8.35	-62.45
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C(C)N2CC[NH+](C)CC2)=C1	REAL300001444870	1	52	0.0	-68.01	396.84	6.18	-61.83
COC1=CC=CC(C(CC(=O)[O-])NC(=O)[C@@H]2CCCC[N@@H+]2C)=C1	REAL300001444900	0	47	0.0	-60.09	355.29	7.71	-52.38
COC1=CC=CC(C(CC(=O)[O-])NC(=O)[C@@H]2CCCC[N@H+]2C)=C1	REAL300001444900	1	47	0.0	-68.24	358.63	7.24	-61.00
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[NH+](C)CC2)=C1	REAL300001444967	0	47	0.0	-72.58	368.51	7.95	-64.63
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CN3C=[NH+]C=C3C=C2)=C1	REAL300001444994	0	42	0.0	-66.54	353.74	9.94	-56.60
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2(C[NH+](C)C)CCCCC2)=C1	REAL300001445023	0	56	0.0	-73.76	392.53	11.20	-62.56
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CC[N@H+](C)C2CCCCC2)=C1	REAL300001445027	0	56	0.0	-77.24	414.99	9.20	-68.04
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CC[N@@H+](C)C2CCCCC2)=C1	REAL300001445027	1	56	0.0	-77.30	414.98	9.20	-68.10
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCC[N@@H+]2C)=C1	REAL300001445040	0	44	0.0	-56.78	350.12	7.28	-49.50
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCC[N@H+]2C)=C1	REAL300001445040	1	44	0.0	-68.76	342.44	6.58	-62.18
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[NH+](C)CC2)=C1	REAL300001445087	0	47	0.0	-72.58	368.51	7.95	-64.63
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C1	REAL300001445090	0	50	0.0	-84.58	404.28	8.21	-76.37
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCC([NH+]3CCOCC3)CC2)=C1	REAL300001445101	0	58	0.0	-71.22	421.68	7.75	-63.47
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CCCN2C=C[NH+]=C2C)=C1	REAL300001445133	1	48	0.0	-74.87	387.54	8.51	-66.36
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CCCC[NH+]2CCOCC2)=C1	REAL300001445134	1	54	0.0	-82.51	414.90	7.19	-75.32
CC[N@H+](CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)C=C1)C(C)C	REAL300001445136	0	59	0.0	-88.01	434.05	10.46	-77.55
CC[N@@H+](CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)C=C1)C(C)C	REAL300001445136	1	59	0.0	-85.73	434.06	10.31	-75.42
COC1=CC=CC(C(CC(=O)[O-])NC(=O)[C@H]2CCC[N@@H+]2C)=C1	REAL300001445139	0	44	0.0	-53.66	349.63	7.46	-46.20
COC1=CC=CC(C(CC(=O)[O-])NC(=O)[C@H]2CCC[N@H+]2C)=C1	REAL300001445139	1	44	0.0	-59.78	343.58	6.95	-52.83
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300001445175	0	54	0.0	-61.58	426.77	10.80	-50.78
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300001445175	1	54	0.0	-63.66	428.65	10.82	-52.84
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[NH+](C3CCSC3)CC2)=C1	REAL300001445176	0	55	0.0	-69.96	423.25	9.91	-60.05
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CC2([NH+]3CCOCC3)CCCC2)=C1	REAL300001445200	0	58	0.0	-62.18	410.80	8.26	-53.92
CCC(C(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1)[NH+](CC)CC	REAL300001445204	0	52	0.0	-64.65	381.58	8.05	-56.60
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=C1	REAL300001445206	0	53	0.0	-60.14	418.41	10.38	-49.76
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300001445206	1	53	0.0	-72.75	411.38	9.63	-63.12
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C[NH+](C)C)N=C2)=C1	REAL300001445226	0	49	0.0	-84.58	390.60	7.24	-77.34
CCC[NH+](CCC)CCCC(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300001445230	0	58	0.0	-77.65	438.61	9.79	-67.86
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2C[N@H+](C)CCO2)=C1	REAL300001445232	1	45	0.0	-75.09	360.83	6.78	-68.31
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2C[N@@H+](C)CCO2)=C1	REAL300001445232	1	45	0.0	-87.83	353.65	6.06	-81.77
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CN2C=C[NH+]=C2C(C)C)=C1	REAL300001445239	1	48	0.0	-68.00	382.22	8.35	-59.65
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=C1	REAL300001445254	0	54	0.0	-88.85	419.67	10.27	-78.58
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=C1	REAL300001445259	0	57	0.0	-80.12	436.36	10.94	-69.18
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2(C[NH+](C)C)CC2)=C1	REAL300001445262	0	47	0.0	-71.71	367.30	8.51	-63.20
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CCCC[NH+](C)C)=C1	REAL300001445270	0	49	0.0	-80.98	381.99	7.74	-73.24
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)=C1	REAL300001445291	1	48	0.0	-85.58	391.78	7.51	-78.07
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=C1	REAL300001445294	0	57	0.0	-88.99	435.99	10.91	-78.08
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=C1	REAL300001445305	1	50	0.0	-74.51	406.98	8.52	-65.99
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=C1	REAL300001445306	0	53	0.0	-91.72	417.35	9.96	-81.76
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300001445311	1	46	0.0	-68.21	365.97	6.68	-61.53
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300001445312	1	55	0.0	-81.59	423.24	9.46	-72.13
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300001445312	1	55	0.0	-49.50	430.95	10.24	-39.26
CCC[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300001445319	0	46	0.0	-57.41	362.88	7.70	-49.71
CCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300001445319	1	46	0.0	-72.14	355.80	7.03	-65.11
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@H+](C)C2CCC2)=C1	REAL300001445333	0	47	0.0	-53.31	369.86	8.30	-45.01
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@@H+](C)C2CCC2)=C1	REAL300001445333	1	47	0.0	-69.33	362.79	7.60	-61.73
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C(C)[NH+]2CCSCC2)=C1	REAL300001445354	1	48	0.0	-71.21	370.84	7.52	-63.69
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@H+](C)CC(C)(C)C)=C1	REAL300001445359	0	52	0.0	-71.48	387.00	8.21	-63.27
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@@H+](C)CC(C)(C)C)=C1	REAL300001445359	1	52	0.0	-55.02	391.49	8.81	-46.21
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@H+](C)CCC2=CC=CC=C2)=C1	REAL300001445361	0	53	0.0	-58.41	422.87	10.75	-47.66
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=C1	REAL300001445361	1	53	0.0	-75.00	415.70	10.04	-64.96
COCCOCC[N@H+](C)CCC(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300001445362	0	57	0.0	-76.33	444.49	6.28	-70.05
COCCOCC[N@@H+](C)CCC(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300001445362	1	57	0.0	-78.09	444.75	6.22	-71.87
CC[C@@H](C(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1)[NH+](C)C	REAL300001445365	0	46	0.0	-68.07	347.24	6.66	-61.41
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CC2(O)CCC[N@H+](C)C2)=C1	REAL300001445367	0	51	0.0	-69.25	387.06	5.97	-63.28
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CC2(O)CCC[N@@H+](C)C2)=C1	REAL300001445367	1	51	0.0	-65.64	391.10	6.71	-58.93
CCCCCC[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300001445379	0	55	0.0	-56.69	427.46	10.08	-46.61
CCCCCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300001445379	1	55	0.0	-73.39	420.41	9.38	-64.01
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC3=C[NH+]=CN3C=C2)=C1	REAL300001445393	1	42	0.0	-71.99	354.02	9.94	-62.05
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@H+](C)C2CCSC2)=C1	REAL300001445403	0	48	0.0	-77.60	375.96	7.84	-69.76
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@@H+](C)C2CCSC2)=C1	REAL300001445403	1	48	0.0	-61.55	382.85	8.54	-53.01
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CCN2CC[NH+](C(C)C)CC2)=C1	REAL300001445418	0	58	0.0	-69.96	439.00	7.46	-62.50
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CC[NH+]2CCN(C(C)C)CC2)=C1	REAL300001445418	1	58	0.0	-61.35	435.73	7.43	-53.92
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CCCN2CC[NH+](C(C)C)CC2)=C1	REAL300001445419	0	61	0.0	-77.12	453.48	7.58	-69.54
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CCC[NH+]2CCN(C(C)C)CC2)=C1	REAL300001445419	1	61	0.0	-65.20	456.72	8.19	-57.01
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCCC3CCC[N@@H+]32)=C1	REAL300001445420	0	51	0.0	-52.88	387.83	9.13	-43.75
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCCC3CCC[N@H+]32)=C1	REAL300001445420	1	51	0.0	-49.92	388.02	9.15	-40.77
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CN(CC[NH+](C)C)N=C2)=C1	REAL300001445422	0	50	0.0	-86.44	401.07	7.15	-79.29
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=C1	REAL300001445427	0	56	0.0	-59.83	433.14	9.95	-49.88
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=C1	REAL300001445427	1	56	0.0	-77.90	432.40	8.95	-68.95
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)=C1	REAL300001445432	1	54	0.0	-57.58	421.72	10.77	-46.81
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)=C1	REAL300001445432	1	54	0.0	-72.58	412.03	10.20	-62.38
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300001445447	0	57	0.0	-67.72	446.64	11.56	-56.16
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300001445447	1	57	0.0	-82.54	442.13	10.87	-71.67
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=NN(CC[NH+](C)C)C=C2)=C1	REAL300001445460	0	50	0.0	-82.28	408.14	7.94	-74.34
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=NN2CC[NH+](C)C)=C1	REAL300001445461	0	50	0.0	-55.69	397.18	8.19	-47.50
COC1=CC=CC(C(CC(=O)[O-])NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)=C1	REAL300001445463	0	47	0.0	-58.52	356.66	7.29	-51.23
COC1=CC=CC(C(CC(=O)[O-])NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)=C1	REAL300001445463	1	47	0.0	-69.61	364.61	7.50	-62.11
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300001445464	1	51	0.0	-70.69	402.58	8.81	-61.88
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)CC[N@@H+]1C	REAL300001445467	0	50	0.0	-67.49	380.48	8.00	-59.49
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)CC[N@H+]1C	REAL300001445467	1	50	0.0	-74.52	377.42	7.81	-66.71
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2C[N@H+](C)CC(C)O2)=C1	REAL300001445474	1	48	0.0	-49.38	374.79	7.31	-42.07
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2C[N@@H+](C)CC(C)O2)=C1	REAL300001445474	1	48	0.0	-86.92	368.14	6.77	-80.15
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C[NH+]2CCCC2)=C1	REAL300001445481	0	44	0.0	-71.48	340.58	6.62	-64.86
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CN2C=C[NH+]=C2C)=C1	REAL300001445483	1	42	0.0	-69.40	346.12	7.24	-62.16
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C(C)C[NH+]2CCOCC2)=C1	REAL300001445485	0	51	0.0	-62.54	394.82	7.05	-55.49
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C[NH+]2CCC(C)CC2)=C1	REAL300001445504	0	50	0.0	-72.80	379.75	8.11	-64.69
CC[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300001445515	1	48	0.0	-45.58	372.17	7.25	-38.33
CC[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300001445515	1	48	0.0	-67.72	371.50	7.25	-60.47
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=C1	REAL300001445544	0	57	0.0	-74.18	422.11	9.52	-64.66
COC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[N@H+](C3CCCCC3)C2)=C1	REAL300001445544	1	57	0.0	-75.36	421.13	9.47	-65.89
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CCC2CCC[N@@H+]2C)=C1	REAL300001445550	0	50	0.0	-64.23	385.05	8.42	-55.81
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CCN(CCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300001453902	1	49	0.0	-64.11	362.13	10.37	-53.74
CCN(CCC(=O)[O-])C(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1	REAL300001453903	1	40	0.0	-66.97	332.60	7.38	-59.59
CCN(CCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001453910	0	49	0.0	-82.60	368.39	10.60	-72.00
CCN(CCC(=O)[O-])C(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300001453920	0	59	0.0	-72.21	443.34	13.60	-58.61
CCN(CCC(=O)[O-])C(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300001453920	1	59	0.0	-75.61	442.38	13.65	-61.96
CCN(CCC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001453925	1	47	0.0	-71.44	358.43	9.44	-62.00
CCN(CCC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001453925	1	47	0.0	-72.17	353.66	9.27	-62.90
CCN(CCC(=O)[O-])C(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C	REAL300001453929	0	56	0.0	-65.21	415.58	10.89	-54.32
CCN(CCC(=O)[O-])C(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C	REAL300001453929	1	56	0.0	-64.11	418.84	11.15	-52.96
CCN(CCC(=O)[O-])C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001453937	0	55	0.0	-70.49	406.91	11.78	-58.71
CCN(CCC(=O)[O-])C(=O)CC[N@H+](C)CCOCCOC	REAL300001453958	0	49	0.0	-72.52	382.19	6.37	-66.15
CCN(CCC(=O)[O-])C(=O)CC[N@@H+](C)CCOCCOC	REAL300001453958	1	49	0.0	-70.95	382.13	6.35	-64.60
CCN(CCC(=O)[O-])C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001453967	0	54	0.0	-76.78	408.31	9.87	-66.91
CCN(CCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300001453968	1	48	0.0	-68.34	356.79	8.70	-59.64
CCN(CCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300001453968	1	48	0.0	-66.38	363.78	8.97	-57.41
CCN(CCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300001453969	1	48	0.0	-68.02	364.79	9.01	-59.01
CCN(CCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300001453969	1	48	0.0	-65.60	357.07	8.61	-56.99
CCN(CCC(=O)[O-])C(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300001453987	0	53	0.0	-70.43	390.85	7.71	-62.72
CCN(CCC(=O)[O-])C(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300001453987	1	53	0.0	-72.79	387.17	7.50	-65.29
CCN(CCC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300001453991	0	54	0.0	-75.03	408.20	9.74	-65.29
CCN(CCC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001453992	0	51	0.0	-75.30	386.80	9.08	-66.22
CCN(CCC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300001453995	0	48	0.0	-71.50	359.59	9.14	-62.36
CCN(CCC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300001453995	1	48	0.0	-66.47	357.85	9.05	-57.42
CCN(CCC(=O)[O-])C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001453998	0	46	0.0	-65.16	349.73	9.98	-55.18
CCN(CCC(=O)[O-])C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300001453998	1	46	0.0	-67.00	341.84	9.87	-57.13
CCN(CCC(=O)[O-])C(=O)C(C)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300001454000	1	51	0.0	-73.21	384.56	8.56	-64.65
CCC(CC)C(C(=O)N(CC)CCC(=O)[O-])[NH+]1CCOCC1	REAL300001454007	1	52	0.0	-62.58	358.92	7.60	-54.98
CCN(CCC(=O)[O-])C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001454021	0	49	0.0	-76.86	379.04	10.96	-65.90
CCN(CCC(=O)[O-])C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001454021	1	49	0.0	-76.04	377.61	10.89	-65.15
CCN(CCC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300001454037	0	49	0.0	-71.75	368.08	10.84	-60.91
CCN(CCC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300001454037	1	49	0.0	-65.52	369.39	10.97	-54.55
CCN(CCC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300001454038	1	45	0.0	-61.06	348.37	8.47	-52.59
CCN(CCC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300001454038	1	45	0.0	-68.48	349.06	8.29	-60.19
CCN(CCC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300001454040	0	50	0.0	-75.04	384.53	8.49	-66.55
CCN(CCC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300001454073	0	54	0.0	-70.35	404.33	9.74	-60.61
CCN(CCC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300001454073	1	54	0.0	-72.83	403.42	9.49	-63.34
CCN(CCC(=O)[O-])C(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300001454075	0	55	0.0	-71.10	394.55	9.01	-62.09
CCN(CCC(=O)[O-])C(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300001454075	1	55	0.0	-72.30	398.34	9.23	-63.07
CCN(CCC(=O)[O-])C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1	REAL300001454076	0	49	0.0	-82.75	371.86	8.20	-74.55
CCN(CCC(=O)[O-])C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1	REAL300001454076	1	49	0.0	-82.34	367.73	7.88	-74.46
CCN(CCC(=O)[O-])C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300001454079	0	51	0.0	-77.50	387.51	8.24	-69.26
CCN(CCC(=O)[O-])C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300001454080	0	51	0.0	-77.78	386.60	8.06	-69.72
CCN(CCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300001454080	1	51	0.0	-83.46	385.22	8.10	-75.36
CCN(CCC(=O)[O-])C(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300001454081	0	52	0.0	-79.12	392.00	9.91	-69.21
CCN(CCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001454117	0	53	0.0	-85.88	400.39	7.96	-77.92
CCN(CCC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001454119	0	49	0.0	-65.84	365.45	10.92	-54.92
CCN(CCC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001454119	1	49	0.0	-51.29	361.84	10.78	-40.51
CCN(CCC(=O)[O-])C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001454164	0	47	0.0	-70.57	360.63	6.94	-63.63
CCN(CCC(=O)[O-])C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001454164	1	47	0.0	-69.55	355.66	7.67	-61.88
CCN(CCC(=O)[O-])C(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1	REAL300001454167	0	45	0.0	-58.09	355.95	9.71	-48.38
CCN(CCC(=O)[O-])C(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC	REAL300001454169	0	51	0.0	-64.89	387.55	10.92	-53.97
CCN(CCC(=O)[O-])C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1	REAL300001454191	1	47	0.0	-60.51	366.18	10.51	-50.00
CCN(CCC(=O)[O-])C(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1	REAL300001454192	1	52	0.0	-63.07	374.95	8.39	-54.68
CCN(CCC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300001454210	1	47	0.0	-87.49	363.87	9.23	-78.26
CCN(CCC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300001454210	1	47	0.0	-80.97	358.46	9.03	-71.94
CCN(CCC(=O)[O-])C(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300001454254	1	48	0.0	-72.13	364.18	8.59	-63.54
CCN(CCC(=O)[O-])C(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300001454257	0	54	0.0	-82.15	395.17	9.16	-72.99
CCN(CCC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300001454285	0	49	0.0	-75.19	378.09	10.63	-64.56
CCN(CCC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300001454285	1	49	0.0	-74.99	375.95	10.56	-64.43
CCN(CCC(=O)[O-])C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001454299	0	50	0.0	-81.75	397.51	10.24	-71.51
CCN(CCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001454311	0	46	0.0	-79.16	354.73	9.48	-69.68
CCN(CCC(=O)[O-])C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300001454330	0	48	0.0	-68.84	365.72	8.79	-60.05
CCN(CCC(=O)[O-])C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300001454330	1	48	0.0	-64.95	363.74	8.70	-56.25
CCN(CCC(=O)[O-])C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300001454482	0	50	0.0	-73.57	376.86	10.84	-62.73
CCN(CCC(=O)[O-])C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300001454482	1	50	0.0	-78.82	376.97	10.81	-68.01
CCN(CCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300001454509	1	49	0.0	-62.55	376.33	10.85	-51.70
CCN(CCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300001454509	1	49	0.0	-69.72	375.11	10.77	-58.95
CCN(CCC(=O)[O-])C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300001454839	0	46	0.0	-82.29	356.94	8.59	-73.70
CCN(CCC(=O)[O-])C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001454888	0	52	0.0	-70.22	393.71	11.68	-58.54
CCN(CCC(=O)[O-])C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300001454890	1	50	0.0	-85.25	375.78	9.00	-76.25
CCN(CCC(=O)[O-])C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300001454890	1	50	0.0	-84.82	374.55	8.96	-75.86
CCN(CCC(=O)[O-])C(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F	REAL300001454928	0	58	0.0	-82.22	427.09	11.94	-70.28
CCN(CCC(=O)[O-])C(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F	REAL300001454928	1	58	0.0	-82.22	427.09	11.94	-70.28
CCCC(C)(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001455956	0	52	0.0	-73.19	383.15	10.44	-62.75
CCCC(C)(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300001457188	1	51	0.0	-73.59	390.61	8.20	-65.39
CCCC(C)(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001457232	0	55	0.0	-79.97	416.14	9.97	-70.00
CCCC(C)(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001457237	0	55	0.0	-77.98	416.93	12.31	-65.67
CCCC(C)(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001457237	1	55	0.0	-76.94	416.93	12.32	-64.62
CCCC(C)(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300001457346	0	45	0.0	-79.22	351.22	7.86	-71.36
CCCC(C)(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300001457364	0	53	0.0	-67.15	367.26	7.24	-59.91
CCCC(C)(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300001457383	1	49	0.0	-72.85	360.34	6.82	-66.03
CCCC(C)(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300001457384	0	54	0.0	-80.42	380.35	10.08	-70.34
CCCC(C)(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300001457384	1	54	0.0	-78.17	388.76	10.34	-67.83
CCCC(C)(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001457399	0	49	0.0	-63.45	366.84	9.64	-53.81
CCCC(C)(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001457399	1	49	0.0	-63.17	367.06	9.68	-53.49
CCCC(C)(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300001457400	0	50	0.0	-77.31	365.88	9.10	-68.21
CCCC(C)(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300001457421	0	53	0.0	-64.63	358.79	6.85	-57.78
CCCC(C)(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300001457424	0	48	0.0	-54.95	355.93	9.15	-45.80
CCCC(C)(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300001457424	1	48	0.0	-59.86	356.85	9.17	-50.69
CCCC(C)(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001457431	0	55	0.0	-51.26	396.62	11.31	-39.95
CCCC(C)(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001457431	1	55	0.0	-51.28	396.60	11.31	-39.97
CCC[NH+](CCC)CCCC(=O)NC(C)(CCC)C(=O)[O-]	REAL300001457451	0	53	0.0	-66.52	384.63	9.43	-57.09
CCCC(C)(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300001457466	0	49	0.0	-81.04	364.14	9.81	-71.23
CCCC(C)(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300001457471	0	52	0.0	-73.10	381.78	10.58	-62.52
CCCC(C)(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300001457477	0	60	0.0	-67.89	413.00	7.93	-59.96
CCCC(C)(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300001457483	1	56	0.0	-85.38	415.05	9.61	-75.77
CCCC(C)(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001457493	1	53	0.0	-76.40	389.63	9.43	-66.97
CCCC(C)(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001457493	1	53	0.0	-76.75	396.40	9.48	-67.27
CCCC(C)(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300001457507	1	43	0.0	-78.89	336.23	7.02	-71.87
CCCC(C)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300001457510	0	52	0.0	-81.86	381.47	10.54	-71.32
CCCC(C)(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300001457520	1	45	0.0	-76.19	345.47	7.35	-68.84
CCCC(C)(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001457521	0	48	0.0	-86.69	362.71	9.57	-77.12
CCCC(C)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001457524	1	50	0.0	-72.68	369.03	8.66	-64.02
CCCC(C)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001457524	1	50	0.0	-72.69	369.11	8.66	-64.03
CCCC(C)(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001457532	0	58	0.0	-53.84	414.92	11.48	-42.36
CCCC(C)(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300001457557	0	48	0.0	-58.48	361.21	9.58	-48.90
CCCC(C)(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300001457557	1	48	0.0	-58.49	361.21	9.58	-48.91
CCCC(C)(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300001457558	0	52	0.0	-66.31	390.26	5.85	-60.46
CCCC(C)(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300001457558	1	52	0.0	-64.15	390.21	5.83	-58.32
CCCC(C)(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001457564	0	57	0.0	-70.95	416.37	9.36	-61.59
CCCC(C)(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300001457590	0	53	0.0	-70.79	377.42	6.39	-64.40
CCCC(C)(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300001457590	1	53	0.0	-63.13	373.74	6.19	-56.94
CCCC(C)(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300001457591	0	56	0.0	-68.53	398.92	7.20	-61.33
CCCC(C)(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300001457591	1	56	0.0	-66.89	395.24	6.98	-59.91
CCCC(C)(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300001457595	0	57	0.0	-66.82	416.27	9.22	-57.60
CCCC(C)(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001457596	0	54	0.0	-66.51	394.87	8.55	-57.96
CCCC(C)(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001457599	0	51	0.0	-64.03	371.88	8.77	-55.26
CCCC(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001457599	1	51	0.0	-66.42	378.05	8.54	-57.88
CCCC(C)(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300001457603	1	49	0.0	-57.47	357.11	9.71	-47.76
CCCC(C)(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300001457603	1	49	0.0	-56.89	357.11	9.70	-47.19
CCCC(C)(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001457620	0	52	0.0	-69.91	384.41	10.33	-59.58
CCCC(C)(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001457620	1	52	0.0	-70.61	385.65	10.33	-60.28
CCCC(C)(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001457637	0	52	0.0	-64.43	383.36	10.60	-53.83
CCCC(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001457637	1	52	0.0	-66.49	389.59	10.46	-56.03
CCCC(C)(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001457639	0	53	0.0	-66.16	392.60	7.97	-58.19
CCCC(C)(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300001457661	1	52	0.0	-78.85	379.61	8.65	-70.20
CCCC(C)(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300001457662	0	52	0.0	-63.16	367.62	9.13	-54.03
CCCC(C)(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300001457662	1	52	0.0	-64.71	367.33	9.08	-55.63
CCCC(C)(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300001457680	0	54	0.0	-71.17	398.90	8.15	-63.02
CCCC(C)(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300001457681	0	54	0.0	-80.44	397.95	7.97	-72.47
CCCC(C)(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300001457681	1	54	0.0	-82.49	398.30	8.03	-74.46
CCCC(C)(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300001457682	0	55	0.0	-80.14	401.39	9.59	-70.55
CCCC(C)(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001457735	0	56	0.0	-85.44	413.45	7.89	-77.55
CCCC(C)(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001457737	0	52	0.0	-54.85	374.12	10.44	-44.41
CCCC(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001457737	1	52	0.0	-62.88	383.16	10.41	-52.47
CCCC(C)(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001457817	1	50	0.0	-81.21	375.01	9.17	-72.04
CCCC(C)(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001457817	1	50	0.0	-81.37	375.23	9.12	-72.25
CCCC(C)(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300001457855	0	48	0.0	-76.35	362.41	8.44	-67.91
CCCC(C)(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300001457857	1	51	0.0	-70.00	376.11	8.30	-61.70
CCCC(C)(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300001457860	0	57	0.0	-82.68	408.22	9.09	-73.59
CCCC(C)(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300001457867	1	40	0.0	-76.98	321.36	6.69	-70.29
CCCC(C)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001457891	0	52	0.0	-74.18	387.65	10.29	-63.89
CCCC(C)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001457891	1	52	0.0	-67.52	386.89	10.25	-57.27
CCCC(C)(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001457906	0	53	0.0	-83.13	404.55	9.71	-73.42
CCCC(C)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300001457918	0	49	0.0	-77.49	367.15	8.85	-68.64
CCCC(C)(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300001458162	0	42	0.0	-65.43	313.46	6.76	-58.67
CCCC(C)(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300001458162	1	42	0.0	-67.40	308.06	6.75	-60.65
CCCC(C)(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300001458449	0	48	0.0	-77.97	362.71	9.56	-68.41
CCCC(C)(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001458452	0	49	0.0	-82.94	370.00	8.52	-74.42
CCCC(C)(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001458512	0	55	0.0	-67.09	401.78	11.08	-56.01
CCCC(C)(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001458514	1	53	0.0	-84.75	387.57	8.90	-75.85
CCCC(C)(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001458514	1	53	0.0	-83.77	387.62	8.90	-74.87
O=C([O-])CC(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=CC(Br)=C1	REAL300001459264	0	47	0.0	-74.95	382.51	10.01	-64.94
C[NH+](C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459308	0	36	0.0	-69.59	308.43	6.93	-62.66
CC(C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1)N1CC[NH+](C)CC1	REAL300001459309	1	48	0.0	-64.98	388.63	7.51	-57.47
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459325	0	43	0.0	-56.46	357.48	9.24	-47.22
C[N@H+]1CCCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459325	1	43	0.0	-61.33	341.36	8.40	-52.93
C[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300001459340	0	43	0.0	-69.68	360.30	9.27	-60.41
O=C([O-])CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=CC(Br)=C1	REAL300001459356	0	38	0.0	-63.66	345.54	11.27	-52.39
C[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459378	0	40	0.0	-49.81	341.18	8.56	-41.25
C[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459378	1	40	0.0	-51.09	341.93	8.61	-42.48
C[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300001459403	0	43	0.0	-69.68	360.30	9.27	-60.41
CC1=[NH+]C=CN1CCCC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459421	1	44	0.0	-62.85	386.22	10.64	-52.21
C[C@@H](C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300001459424	0	39	0.0	-52.38	332.58	8.24	-44.14
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459425	0	40	0.0	-57.35	335.41	8.32	-49.03
C[N@H+]1CCC[C@@H]1C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459425	1	40	0.0	-54.61	340.84	8.72	-45.89
C[C@H](C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300001459428	0	39	0.0	-67.61	326.70	7.36	-60.25
CCC(C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1)[NH+](CC)CC	REAL300001459471	0	48	0.0	-61.28	373.38	9.37	-51.91
C[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300001459479	1	41	0.0	-66.86	352.63	8.09	-58.77
C[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300001459479	1	41	0.0	-84.24	345.51	7.41	-76.83
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459485	1	44	0.0	-64.44	374.02	9.68	-54.76
C[NH+](C)CC1(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300001459491	0	43	0.0	-69.99	359.09	9.84	-60.15
C[NH+](C)CCCCC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459494	0	45	0.0	-76.81	373.79	9.07	-67.74
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459512	1	42	0.0	-64.51	357.77	8.01	-56.50
CCC[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459514	0	42	0.0	-55.37	354.67	9.03	-46.34
CCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459514	1	42	0.0	-68.77	347.60	8.36	-60.41
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1)C1CCC1	REAL300001459523	0	43	0.0	-66.02	354.58	8.92	-57.10
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1)C1CCC1	REAL300001459523	1	43	0.0	-51.24	361.65	9.62	-41.62
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1)CC(C)(C)C	REAL300001459533	0	48	0.0	-54.94	383.15	10.11	-44.83
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1)CC(C)(C)C	REAL300001459533	1	48	0.0	-68.13	378.80	9.52	-58.61
CC[C@@H](C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300001459534	0	42	0.0	-64.81	339.08	7.95	-56.86
C[N@@H+]1CCCC(O)(CC(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300001459536	0	47	0.0	-62.77	382.89	8.03	-54.74
C[N@H+]1CCCC(O)(CC(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300001459536	1	47	0.0	-58.99	385.68	8.11	-50.88
CCCCCC[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459546	0	51	0.0	-56.37	419.17	11.38	-44.99
CCCCCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459546	1	51	0.0	-69.96	412.20	10.71	-59.25
O=C([O-])CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC=CC(Br)=C1	REAL300001459554	1	38	0.0	-68.85	345.81	11.27	-57.58
O=C([O-])CC(NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC=CC(Br)=C1	REAL300001459567	0	47	0.0	-47.23	379.64	10.45	-36.78
O=C([O-])CC(NC(=O)C1CCCC2CCC[N@H+]21)C1=CC=CC(Br)=C1	REAL300001459567	1	47	0.0	-44.78	379.80	10.48	-34.30
C[C@@H]1[C@H](C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC[N@@H+]1C	REAL300001459581	0	43	0.0	-61.78	349.43	8.66	-53.12
C[C@@H]1[C@H](C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC[N@H+]1C	REAL300001459581	1	43	0.0	-72.94	350.49	8.47	-64.47
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC[N@@H+]1C	REAL300001459583	0	46	0.0	-74.01	365.25	8.65	-65.36
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC[N@H+]1C	REAL300001459583	1	46	0.0	-64.80	369.21	9.14	-55.66
CC1C[N@H+](C)CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300001459587	1	44	0.0	-83.32	359.94	8.09	-75.23
CC1C[N@@H+](C)CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300001459587	1	44	0.0	-69.53	366.86	8.49	-61.04
O=C([O-])CC(NC(=O)C[NH+]1CCCC1)C1=CC=CC(Br)=C1	REAL300001459590	0	40	0.0	-68.08	332.38	7.95	-60.13
CC1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459592	1	38	0.0	-65.81	337.91	8.57	-57.24
CC(C[NH+]1CCOCC1)C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459593	0	47	0.0	-73.08	379.53	7.64	-65.44
CC1CC[NH+](CC(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300001459610	0	46	0.0	-69.49	371.55	9.44	-60.05
CC[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300001459614	1	44	0.0	-64.53	370.38	8.76	-55.77
CC[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300001459614	1	44	0.0	-65.72	363.29	8.59	-57.13
C[N@@H+]1CCCC1CCC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459626	0	46	0.0	-60.39	378.92	10.09	-50.30
C[N@H+]1CCCC1CCC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459626	1	46	0.0	-58.92	376.83	9.73	-49.19
O=C([O-])CC(NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC=CC(Br)=C1	REAL300001459631	0	47	0.0	-52.49	383.23	10.56	-41.93
O=C([O-])CC(NC(=O)C1CCC2CCCC[N@H+]21)C1=CC=CC(Br)=C1	REAL300001459631	1	47	0.0	-65.72	369.01	9.44	-56.28
CC[NH+](CC)CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459638	0	42	0.0	-67.10	344.13	8.27	-58.83
CC(C)[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300001459639	0	49	0.0	-66.22	390.96	10.23	-55.99
O=C([O-])CC(NC(=O)C12CC[NH+](CC1)C2)C1=CC=CC(Br)=C1	REAL300001459670	0	41	0.0	-75.27	339.90	7.43	-67.84
CCC(C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300001459673	0	42	0.0	-64.37	337.08	8.02	-56.35
O=C([O-])CC(NC(=O)C12CC[N@H+](C1)CCC2)C1=CC=CC(Br)=C1	REAL300001459676	0	44	0.0	-74.02	350.82	8.17	-65.85
O=C([O-])CC(NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC=CC(Br)=C1	REAL300001459676	1	44	0.0	-68.21	350.33	8.14	-60.07
CC1CCC(C)[NH+]1CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459694	0	46	0.0	-52.51	372.57	9.61	-42.90
C#CC[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300001459719	0	45	0.0	-68.68	384.97	10.42	-58.26
CC(C)[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459720	0	42	0.0	-65.97	342.78	8.13	-57.84
CC(C)[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300001459720	1	42	0.0	-50.98	349.95	8.83	-42.15
CC[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1)C1CC1	REAL300001459728	0	43	0.0	-50.50	360.75	9.46	-41.04
CC[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1)C1CC1	REAL300001459728	1	43	0.0	-65.97	353.16	8.90	-57.07
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CC(C)CN(CC(=O)[O-])C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001474869	1	49	0.0	-49.79	371.57	10.95	-38.84
CC(C)CN(CC(=O)[O-])C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001474870	0	50	0.0	-62.44	366.74	10.08	-52.36
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CC(C)CN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001474901	1	55	0.0	-58.26	404.68	12.60	-45.66
CCC[NH+](CCC)CCCC(=O)N(CC(=O)[O-])CC(C)C	REAL300001474921	0	53	0.0	-53.30	382.20	10.41	-42.89
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300001474936	0	49	0.0	-66.78	367.62	10.82	-55.96
CC(C)CN(CC(=O)[O-])C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001474941	0	52	0.0	-69.90	387.22	11.64	-58.26
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CC(C)CN(CC(=O)[O-])C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300001474990	1	45	0.0	-67.40	350.30	9.08	-58.32
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CC(C)CN(CC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001474994	1	50	0.0	-39.30	370.27	10.09	-29.21
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CN1CC[NH+](CC2=CC=C(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)C=C2)CC1	REAL300001495908	1	52	0.0	-79.20	411.43	8.40	-70.80
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300001495909	0	53	0.0	-75.75	414.53	9.96	-65.79
CC(C)[NH+]1CCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300001495916	0	46	0.0	-73.30	354.09	8.45	-64.85
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C[NH+](C)CC1=CC=CC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300001496028	0	43	0.0	-77.22	353.35	9.10	-68.12
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CCC[N@H+]1CCCCC1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001496093	1	46	0.0	-70.13	347.04	8.44	-61.69
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001496095	0	43	0.0	-67.34	346.28	9.36	-57.98
CC[NH+]1CCN(CCC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300001496097	0	48	0.0	-74.04	373.31	6.24	-67.80
CCN1CC[NH+](CCC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300001496097	1	48	0.0	-75.00	373.81	6.27	-68.73
CC(C)C(C(=O)NCC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCCCC1	REAL300001496099	0	49	0.0	-67.21	363.72	9.08	-58.13
C[NH+](C)C(C(=O)NCC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001496100	1	43	0.0	-70.82	349.86	9.10	-61.72
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O=C([O-])C1=CC=C(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001496104	1	48	0.0	-73.65	388.15	7.04	-66.61
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001496110	1	44	0.0	-67.88	360.61	8.77	-59.11
C[NH+](C)CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)OC2=CC=CC=C21	REAL300001496111	0	46	0.0	-73.31	374.45	9.41	-63.90
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1	REAL300001496115	0	47	0.0	-70.86	351.17	8.94	-61.92
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@H+]2C2CCCC2)C=C1	REAL300001496115	1	47	0.0	-69.49	361.16	9.00	-60.49
CC(C)C(C(=O)NCC1=CC=C(C(=O)[O-])C=C1)[NH+]1CC(C)OC(C)C1	REAL300001496142	1	53	0.0	-69.71	397.73	8.80	-60.91
CC(C(=O)NCC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCCCCC1	REAL300001496143	0	46	0.0	-69.25	345.27	8.02	-61.23
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=CC=C1N2	REAL300001496174	1	48	0.0	-81.39	388.15	9.53	-71.86
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)=CC=C1N2	REAL300001496174	1	48	0.0	-81.32	388.36	9.51	-71.81
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001496228	0	46	0.0	-73.59	375.06	8.78	-64.81
O=C([O-])C1=CC=C(CNC(=O)CCCC[NH+]2CCCC2)C=C1	REAL300001496229	0	46	0.0	-74.02	366.53	8.93	-65.09
CC1=CC=C(N2CCC(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)CC2)[NH+]=C1	REAL300001496230	1	49	0.0	-70.61	389.22	8.68	-61.93
C[N@H+](CC(=O)NCC1=CC=C(C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300001496231	1	43	0.0	-77.10	351.86	9.20	-67.90
C[N@@H+](CC(=O)NCC1=CC=C(C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300001496231	1	43	0.0	-77.16	351.86	9.20	-67.96
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)C=C2)CC1	REAL300001496234	0	55	0.0	-77.23	421.37	9.46	-67.77
O=C([O-])C1=CC=C(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C=C1	REAL300001496247	1	38	0.0	-81.20	334.50	7.05	-74.15
C[NH+](C)CC1=CC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=NO1	REAL300001496276	1	39	0.0	-82.13	334.32	6.64	-75.49
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001496282	0	50	0.0	-79.36	399.90	10.57	-68.79
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001496282	1	50	0.0	-76.36	397.19	10.66	-65.70
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300001496301	0	51	0.0	-78.43	417.69	10.08	-68.35
C[NH+]1CCC(OCC(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300001496317	0	44	0.0	-78.79	355.15	7.70	-71.09
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1	REAL300001496321	0	47	0.0	-75.41	380.28	9.19	-66.22
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2=CC=C(C(=O)[O-])C=C2)[C@@H](C(F)(F)F)C1	REAL300001496360	0	49	0.0	-75.46	389.25	8.81	-66.65
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2=CC=C(C(=O)[O-])C=C2)[C@@H](C(F)(F)F)C1	REAL300001496360	1	49	0.0	-73.12	388.19	8.87	-64.25
CCC[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001496500	0	46	0.0	-68.55	352.68	8.83	-59.72
CCC[N@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001496500	1	46	0.0	-72.72	358.95	8.62	-64.10
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001496531	0	46	0.0	-69.44	359.99	8.78	-60.66
CC(C)C[N@H+]1CCCC1C(=O)NCC1=CC=C(C(=O)[O-])C=C1	REAL300001496531	1	46	0.0	-69.58	359.94	8.81	-60.77
O=C([O-])C1=CC=C(CNC(=O)C[NH+]2CCC(CO)CC2)C=C1	REAL300001496534	0	44	0.0	-74.79	348.99	4.79	-70.00
O=C([O-])C1=CC=C(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C1	REAL300001496626	0	51	0.0	-75.94	404.15	11.12	-64.82
O=C([O-])C1=CC=C(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C1	REAL300001496626	1	51	0.0	-76.85	404.63	11.12	-65.73
O=C([O-])C1=CC=C(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C=C1	REAL300001496663	1	50	0.0	-71.99	400.27	10.83	-61.16
O=C([O-])C1=CC=C(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C=C1	REAL300001496663	1	50	0.0	-75.40	390.82	10.67	-64.73
CC(C)[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001496748	0	46	0.0	-67.44	347.84	8.60	-58.84
CC(C)[N@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001496748	1	46	0.0	-70.86	354.10	8.40	-62.46
C[N@@H+]1CC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300001496749	0	40	0.0	-78.47	338.79	7.42	-71.05
C[N@H+]1CC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300001496749	1	40	0.0	-78.47	338.88	7.42	-71.05
CC1=C(C)[NH+]=C(CCC(=O)NCC2=CC=C(C(=O)[O-])C=C2)N1	REAL300001496775	1	41	0.0	-68.66	345.44	6.90	-61.76
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300001497224	0	46	0.0	-78.22	375.85	9.94	-68.28
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300001497230	0	47	0.0	-77.63	383.15	8.89	-68.74
O=C([O-])C1=CC=C(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300001497319	0	53	0.0	-74.59	414.90	11.55	-63.04
CC1C[N@H+](CC2=CC=C(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)C=C2)CCO1	REAL300001497321	1	51	0.0	-80.66	400.71	9.27	-71.39
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=CC=C(C(=O)[O-])C=C3)C=C2)CCO1	REAL300001497321	1	51	0.0	-80.86	400.77	9.27	-71.59
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300001497359	0	46	0.0	-71.02	347.49	8.30	-62.72
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001497421	0	49	0.0	-68.68	370.11	9.51	-59.17
CC(C)C[N@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001497421	1	49	0.0	-68.68	370.11	9.51	-59.17
CN(C)CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001497426	0	40	0.0	-76.81	339.78	7.41	-69.40
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001497426	1	40	0.0	-76.81	339.78	7.41	-69.40
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001497431	0	49	0.0	-75.61	365.19	8.71	-66.90
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001497431	1	49	0.0	-75.61	365.19	8.71	-66.90
O=C([O-])C1=CC=C(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300001497434	0	42	0.0	-69.00	333.24	8.93	-60.07
CC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001499158	1	40	0.0	-50.71	329.47	7.49	-43.22
CC(NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001499158	1	40	0.0	-54.89	334.94	8.05	-46.84
CC1=NC(C[NH+]2CCC(C(=O)NC(C)C(=O)[O-])CC2)=CS1	REAL300001499212	1	42	0.0	-64.18	343.13	5.86	-58.32
CC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001499234	0	46	0.0	-67.54	368.50	7.65	-59.89
CC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001499239	0	46	0.0	-71.73	369.77	9.91	-61.82
CC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001499239	1	46	0.0	-70.78	369.46	9.95	-60.83
CC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001499240	0	46	0.0	-55.55	348.66	8.47	-47.08
CC(NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001499259	0	43	0.0	-57.11	350.42	8.40	-48.71
CC(NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001499259	1	43	0.0	-55.82	349.99	8.24	-47.58
CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001499280	1	43	0.0	-54.01	330.58	7.88	-46.13
CC(NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001499280	1	43	0.0	-53.98	339.63	8.08	-45.90
CC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300001499312	0	46	0.0	-71.38	367.88	7.62	-63.76
CC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300001499349	1	45	0.0	-59.77	347.85	6.19	-53.58
CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001499354	0	46	0.0	-54.71	352.00	9.13	-45.58
CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001499354	1	46	0.0	-54.52	351.83	9.15	-45.37
CC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300001499378	1	44	0.0	-48.36	342.82	4.77	-43.59
CCN1CCC([NH+]2CCC(C(=O)NC(C)C(=O)[O-])CC2)CC1	REAL300001499386	0	51	0.0	-60.91	365.35	5.60	-55.31
CC(NC(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001499387	0	50	0.0	-68.76	414.38	11.30	-57.46
CC(NC(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001499387	1	50	0.0	-68.65	413.45	11.35	-57.30
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC(C)C(=O)[O-])=C1	REAL300001499388	0	53	0.0	-66.38	418.71	11.43	-54.95
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC(C)C(=O)[O-])=C1	REAL300001499388	1	53	0.0	-65.84	418.84	11.53	-54.31
CC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300001499392	1	47	0.0	-72.61	367.42	7.27	-65.34
CC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001499399	1	44	0.0	-68.19	341.97	7.37	-60.82
CC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001499399	1	44	0.0	-67.46	348.93	7.39	-60.07
CC(NC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001499411	0	53	0.0	-63.71	408.75	11.10	-52.61
CC(NC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001499411	1	53	0.0	-65.73	410.03	10.90	-54.83
CC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300001499413	0	50	0.0	-57.66	371.43	9.44	-48.22
CC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300001499413	1	50	0.0	-59.53	378.62	9.71	-49.82
CC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001499418	0	49	0.0	-52.27	367.44	9.22	-43.05
CC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001499431	0	48	0.0	-65.39	368.73	7.03	-58.36
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C)C(=O)[O-])CC2)=C1	REAL300001499441	0	48	0.0	-62.81	369.11	6.83	-55.98
CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001499442	0	45	0.0	-62.23	347.40	6.20	-56.03
CC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001499471	0	43	0.0	-62.51	342.14	8.12	-54.39
CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001499471	1	43	0.0	-61.41	341.95	8.14	-53.27
CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001499472	0	44	0.0	-62.64	345.44	5.58	-57.06
CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001499491	0	48	0.0	-60.35	366.26	7.22	-53.13
CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001499491	1	48	0.0	-67.69	367.27	6.86	-60.83
CC(C)[N@@H+]1CCC(C(=O)NC(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001499493	0	49	0.0	-62.79	364.49	6.61	-56.18
CC(C)[N@H+]1CCC(C(=O)NC(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001499493	1	49	0.0	-64.95	365.60	6.38	-58.57
CC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300001499496	0	45	0.0	-66.04	351.26	5.81	-60.23
CC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300001499497	0	45	0.0	-67.07	350.49	5.60	-61.47
CC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300001499497	1	45	0.0	-70.60	350.83	5.67	-64.93
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300001499498	0	46	0.0	-69.07	357.74	7.49	-61.58
CC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001499519	0	47	0.0	-72.59	365.82	5.55	-67.04
CC[NH+](CC)C(C(=O)NC(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300001499550	0	45	0.0	-54.25	353.50	8.10	-46.15
CC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001499570	1	41	0.0	-73.47	327.54	6.80	-66.67
CC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001499570	1	41	0.0	-73.41	328.06	6.74	-66.67
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CC1	REAL300001499589	0	48	0.0	-69.63	360.76	6.73	-62.90
CC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001499610	0	44	0.0	-70.36	356.91	7.36	-63.00
CC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001499625	0	42	0.0	-58.78	328.39	6.07	-52.71
CC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001499625	1	42	0.0	-55.21	327.57	6.13	-49.08
CC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001499696	0	44	0.0	-60.73	343.51	8.35	-52.38
CC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001499696	1	44	0.0	-57.83	345.03	8.28	-49.55
CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001499710	1	43	0.0	-51.24	330.19	7.92	-43.32
CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001499710	1	43	0.0	-53.58	330.52	7.88	-45.70
CC(NC(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001499885	0	51	0.0	-65.52	399.90	8.07	-57.45
CC(NC(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001499885	1	51	0.0	-67.86	400.84	7.96	-59.90
CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001499899	0	46	0.0	-61.10	354.14	8.84	-52.26
CC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001499900	1	44	0.0	-72.29	340.12	6.53	-65.76
CC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001499900	1	44	0.0	-72.78	340.46	6.49	-66.29
CC(NC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001499923	0	52	0.0	-50.61	375.88	9.22	-41.39
CC(NC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001499923	1	52	0.0	-65.13	390.50	9.34	-55.79
CCOC1=CC=C(CC(CNC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300001501384	0	57	0.0	-62.55	436.73	10.21	-52.34
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@@H+]2C2CC2)C(=O)[O-])C=C1	REAL300001501407	0	54	0.0	-54.04	424.79	9.86	-44.18
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@H+]2C2CC2)C(=O)[O-])C=C1	REAL300001501407	1	54	0.0	-54.13	419.81	9.68	-44.45
CCOC1=CC=C(CC(CNC(=O)C2CCC3=C[NH+]=C(C)N3C2)C(=O)[O-])C=C1	REAL300001501412	1	55	0.0	-57.62	434.95	10.10	-47.52
CCOC1=CC=C(CC(CNC(=O)C[NH+](C)C)C(=O)[O-])C=C1	REAL300001501467	0	46	0.0	-51.42	357.39	7.43	-43.99
CCOC1=CC=C(CC(CNC(=O)C2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300001501468	0	53	0.0	-53.27	409.23	8.94	-44.33
CCOC1=CC=C(CC(CNC(=O)C2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300001501468	1	53	0.0	-58.79	399.99	8.78	-50.01
CCOC1=CC=C(CC(CNC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300001501469	1	58	0.0	-62.21	435.50	7.27	-54.94
CCOC1=CC=C(CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300001501500	0	53	0.0	-51.38	393.42	8.80	-42.58
CCOC1=CC=C(CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300001501500	1	53	0.0	-48.22	402.71	8.98	-39.24
CCOC1=CC=C(CC(CNC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300001501553	0	53	0.0	-64.45	405.36	9.05	-55.40
CCOC1=CC=C(CC(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])C=C1	REAL300001501583	0	48	0.0	-61.81	387.56	10.92	-50.89
CCOC1=CC=C(CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])C=C1	REAL300001501607	0	62	0.0	-50.79	451.67	11.03	-39.76
CCOC1=CC=C(CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])C=C1	REAL300001501611	0	62	0.0	-56.25	455.80	11.04	-45.21
CCOC1=CC=C(CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])C=C1	REAL300001501611	1	62	0.0	-54.93	455.80	11.03	-43.90
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300001501623	0	50	0.0	-53.08	387.33	7.89	-45.19
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300001501623	1	50	0.0	-58.26	387.34	7.89	-50.37
CCOC1=CC=C(CC(CNC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300001501669	0	53	0.0	-64.45	405.36	9.05	-55.40
CCOC1=CC=C(CC(CNC(=O)CCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1	REAL300001501708	1	54	0.0	-62.79	438.27	10.26	-52.53
CCOC1=CC=C(CC(CNC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300001501709	1	60	0.0	-63.47	455.65	9.02	-54.45
CCOC1=CC=C(CC(CNC(=O)[C@H](C)[NH+](C)C)C(=O)[O-])C=C1	REAL300001501715	0	49	0.0	-59.13	385.41	7.75	-51.38
CCOC1=CC=C(CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300001501716	0	50	0.0	-50.05	383.29	8.47	-41.58
CCOC1=CC=C(CC(CNC(=O)[C@H]2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300001501716	1	50	0.0	-58.26	387.28	7.89	-50.37
CCOC1=CC=C(CC(CNC(=O)[C@@H](C)[NH+](C)C)C(=O)[O-])C=C1	REAL300001501720	0	49	0.0	-57.68	385.50	7.75	-49.93
CCOC1=CC=C(CC(CNC(=O)C2([NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300001501728	0	50	0.0	-46.15	380.90	8.93	-37.22
CCOC1=CC=C(CC(CNC(=O)C(CC)[NH+](CC)CC)C(=O)[O-])C=C1	REAL300001501787	0	58	0.0	-51.41	429.89	9.38	-42.03
CCOC1=CC=C(CC(CNC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001501789	0	59	0.0	-50.71	455.77	11.35	-39.36
CCOC1=CC=C(CC(CNC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001501789	1	59	0.0	-53.65	462.17	11.36	-42.29
CCOC1=CC=C(CC(CNC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])C=C1	REAL300001501807	0	55	0.0	-66.92	431.32	9.46	-57.46
CCC[NH+](CCC)CCCC(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300001501811	0	64	0.0	-58.46	479.95	11.65	-46.81
CCOC1=CC=C(CC(CNC(=O)C(C2=CC=CC=C2)[N@H+](C)CC)C(=O)[O-])C=C1	REAL300001501812	0	59	0.0	-53.59	448.31	11.38	-42.21
CCOC1=CC=C(CC(CNC(=O)C(C2=CC=CC=C2)[N@@H+](C)CC)C(=O)[O-])C=C1	REAL300001501812	1	59	0.0	-56.47	459.74	11.48	-44.99
CCOC1=CC=C(CC(CNC(=O)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1	REAL300001501813	1	51	0.0	-49.60	397.63	7.65	-41.95
CCOC1=CC=C(CC(CNC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1	REAL300001501813	1	51	0.0	-50.62	397.56	7.65	-42.97
CCOC1=CC=C(CC(CNC(=O)CN2C=C[NH+]=C2C(C)C)C(=O)[O-])C=C1	REAL300001501823	1	54	0.0	-55.50	432.93	10.08	-45.42
CCOC1=CC=C(CC(CNC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300001501833	0	53	0.0	-51.87	416.40	9.01	-42.86
CCOC1=CC=C(CC(CNC(=O)CCCC[NH+](C)C)C(=O)[O-])C=C1	REAL300001501838	0	55	0.0	-67.97	432.65	9.49	-58.48
CCOC1=CC=C(CC(CNC(=O)C(C(C)C)[NH+](C)C)C(=O)[O-])C=C1	REAL300001501847	0	55	0.0	-47.39	401.61	8.98	-38.41
CCOC1=CC=C(CC(CNC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300001501860	0	59	0.0	-78.14	467.93	11.68	-66.46
CCOC1=CC=C(CC(CNC(=O)C2=CC=C(C)[NH+]=C2NC)C(=O)[O-])C=C1	REAL300001501867	1	52	0.0	-54.59	416.59	8.42	-46.17
CCC[N@H+](C)CC(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300001501874	0	52	0.0	-52.55	400.01	8.80	-43.75
CCC[N@@H+](C)CC(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300001501874	1	52	0.0	-51.36	396.62	8.84	-42.52
CCOC1=CC=C(CC(CNC(=O)C[N@H+](C)C2CCC2)C(=O)[O-])C=C1	REAL300001501894	0	53	0.0	-54.14	413.46	9.33	-44.81
CCOC1=CC=C(CC(CNC(=O)C[N@@H+](C)C2CCC2)C(=O)[O-])C=C1	REAL300001501894	1	53	0.0	-48.36	403.60	9.41	-38.95
CCOC1=CC=C(CC(CNC(=O)C(C)[NH+]2CCSCC2)C(=O)[O-])C=C1	REAL300001501909	1	54	0.0	-58.13	422.67	9.19	-48.94
CCOC1=CC=C(CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-])C=C1	REAL300001501911	0	58	0.0	-50.68	427.17	9.98	-40.70
CCOC1=CC=C(CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])C=C1	REAL300001501911	1	58	0.0	-51.95	428.61	9.79	-42.16
CCOC1=CC=C(CC(CNC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001501913	0	59	0.0	-61.27	466.43	11.79	-49.48
CCOC1=CC=C(CC(CNC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001501913	1	59	0.0	-55.98	459.91	11.83	-44.15
CCOC1=CC=C(CC(CNC(=O)[C@H](CC)[NH+](C)C)C(=O)[O-])C=C1	REAL300001501916	0	52	0.0	-49.86	391.02	8.41	-41.45
CCOC1=CC=C(CC(CNC(=O)CC2(O)CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300001501918	0	57	0.0	-57.32	427.66	7.78	-49.54
CCOC1=CC=C(CC(CNC(=O)CC2(O)CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300001501918	1	57	0.0	-57.80	427.90	7.51	-50.29
CCCCCC[N@H+](C)CC(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300001501938	0	61	0.0	-53.53	464.51	11.14	-42.39
CCCCCC[N@@H+](C)CC(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300001501938	1	61	0.0	-57.23	471.02	11.10	-46.13
CCOC1=CC=C(CC(CNC(=O)C23CCC[NH+]2CCC3)C(=O)[O-])C=C1	REAL300001501945	0	54	0.0	-44.46	406.76	9.44	-35.02
CCOC1=CC=C(CC(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])C=C1	REAL300001501953	1	48	0.0	-64.71	392.52	10.96	-53.75
CCOC1=CC=C(CC(CNC(=O)C[N@H+](C)C2CCSC2)C(=O)[O-])C=C1	REAL300001501962	0	54	0.0	-62.23	426.63	9.58	-52.65
CCOC1=CC=C(CC(CNC(=O)C[N@@H+](C)C2CCSC2)C(=O)[O-])C=C1	REAL300001501962	1	54	0.0	-60.54	427.14	9.61	-50.93
CCOC1=CC=C(CC(CNC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])C=C1	REAL300001501977	0	57	0.0	-52.05	431.88	10.20	-41.85
CCOC1=CC=C(CC(CNC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])C=C1	REAL300001501977	1	57	0.0	-46.62	421.90	10.27	-36.35
CCOC1=CC=C(CC(CNC(=O)C2=CN(CC[NH+](C)C)N=C2)C(=O)[O-])C=C1	REAL300001501978	0	56	0.0	-71.28	446.40	8.95	-62.33
CCCC(C(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-])[NH+](C)C	REAL300001502003	0	55	0.0	-53.61	419.20	9.13	-44.48
CCOC1=CC=C(CC(CNC(=O)C2=NN(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300001502015	0	56	0.0	-74.97	445.46	8.90	-66.07
CCOC1=CC=C(CC(CNC(=O)C2=CC=NN2CC[NH+](C)C)C(=O)[O-])C=C1	REAL300001502016	0	56	0.0	-56.76	437.11	8.90	-47.86
CCOC1=CC=C(CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(=O)[O-])C=C1	REAL300001502018	0	53	0.0	-65.99	404.90	8.54	-57.45
CCOC1=CC=C(CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(=O)[O-])C=C1	REAL300001502018	1	53	0.0	-60.81	410.14	8.60	-52.21
CCOC1=CC=C(CC(CNC(=O)CC(C)N2C=C[NH+]=C2CC)C(=O)[O-])C=C1	REAL300001502020	1	57	0.0	-53.97	446.73	10.59	-43.38
CCOC1=CC=C(CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(=O)[O-])C=C1	REAL300001502023	0	56	0.0	-61.96	424.29	9.05	-52.91
CCOC1=CC=C(CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(=O)[O-])C=C1	REAL300001502023	1	56	0.0	-65.62	429.18	9.39	-56.23
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300001502025	1	52	0.0	-50.84	414.00	9.11	-41.73
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300001502025	1	52	0.0	-52.71	419.86	9.63	-43.08
CCOC1=CC=C(CC(CNC(=O)C2C[N@H+](C)CC(C)O2)C(=O)[O-])C=C1	REAL300001502029	1	54	0.0	-63.40	425.89	8.54	-54.86
CCOC1=CC=C(CC(CNC(=O)C2C[N@@H+](C)CC(C)O2)C(=O)[O-])C=C1	REAL300001502029	1	54	0.0	-63.85	409.26	8.59	-55.26
CCOC1=CC=C(CC(CNC(=O)C[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300001502035	0	50	0.0	-57.29	391.25	8.38	-48.91
CCOC1=CC=C(CC(CNC(=O)CN2C=C[NH+]=C2C)C(=O)[O-])C=C1	REAL300001502037	1	48	0.0	-50.36	386.81	9.05	-41.31
CCOC1=CC=C(CC(CNC(=O)C(C)C[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300001502039	0	57	0.0	-56.85	433.38	8.18	-48.67
CCOC1=CC=C(CC(CNC(=O)C[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300001502058	0	56	0.0	-50.83	420.35	9.93	-40.90
CCOC1=CC=C(CC(CNC(=O)C2C[N@H+](CC)CCO2)C(=O)[O-])C=C1	REAL300001502069	1	54	0.0	-63.60	415.53	8.29	-55.31
CCOC1=CC=C(CC(CNC(=O)C2C[N@@H+](CC)CCO2)C(=O)[O-])C=C1	REAL300001502069	1	54	0.0	-59.72	422.49	8.45	-51.27
CCOC1=CC=C(CC(CNC(=O)CCC2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300001502100	0	56	0.0	-65.74	429.24	9.38	-56.36
CCOC1=CC=C(CC(CNC(=O)CCC2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300001502100	1	56	0.0	-59.96	424.78	9.93	-50.03
CCOC1=CC=C(CC(CNC(=O)C23CCC[NH+](CCC2)C3)C(=O)[O-])C=C1	REAL300001502109	0	57	0.0	-68.07	424.88	9.56	-58.51
CCOC1=CC=C(CC(CNC(=O)C2(C)CC(O)C[N@@H+]2C)C(=O)[O-])C=C1	REAL300001502111	0	54	0.0	-45.48	405.11	5.51	-39.97
CCOC1=CC=C(CC(CNC(=O)C2(C)CC(O)C[N@H+]2C)C(=O)[O-])C=C1	REAL300001502111	1	54	0.0	-55.90	405.80	5.52	-50.38
CCOC1=CC=C(CC(CNC(=O)C2CCC3CCCC[N@@H+]32)C(=O)[O-])C=C1	REAL300001502112	0	57	0.0	-48.87	428.71	10.33	-38.54
CCOC1=CC=C(CC(CNC(=O)C2CCC3CCCC[N@H+]32)C(=O)[O-])C=C1	REAL300001502112	1	57	0.0	-53.76	435.14	10.29	-43.47
CCOC1=CC=C(CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300001502116	0	60	0.0	-62.36	448.10	8.44	-53.92
CCOC1=CC=C(CC(CNC(=O)C[NH+](CC)CC)C(=O)[O-])C=C1	REAL300001502129	0	52	0.0	-54.63	398.88	8.43	-46.20
CCOC1=CC=C(CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300001502131	0	59	0.0	-61.11	436.03	10.01	-51.10
CCOC1=CC=C(CC(CNC(=O)C23CC[NH+](CC2)C3)C(=O)[O-])C=C1	REAL300001502201	0	51	0.0	-64.13	398.91	7.86	-56.27
CCOC1=CC=C(CC(CNC(=O)C(CC)[NH+](C)C)C(=O)[O-])C=C1	REAL300001502204	0	52	0.0	-47.01	387.80	8.44	-38.57
CCOC1=CC=C(CC(CNC(=O)C23CC[N@H+](C2)CCC3)C(=O)[O-])C=C1	REAL300001502211	0	54	0.0	-60.68	409.23	8.58	-52.10
CCOC1=CC=C(CC(CNC(=O)C23CC[N@@H+](C2)CCC3)C(=O)[O-])C=C1	REAL300001502211	1	54	0.0	-58.08	398.98	8.65	-49.43
CCOC1=CC=C(CC(CNC(=O)C[NH+]2C(C)CCC2C)C(=O)[O-])C=C1	REAL300001502245	0	56	0.0	-47.65	414.42	9.31	-38.34
CCOC1=CC=C(CC(CNC(=O)C2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300001502246	0	56	0.0	-73.30	445.49	10.84	-62.46
CCOC1=CC=C(CC(CNC(=O)C2([NH+](C)C)CCC2)C(=O)[O-])C=C1	REAL300001502275	0	53	0.0	-47.99	387.61	8.94	-39.05
C#CC[NH+]1CCC(C(=O)NCC(CC2=CC=C(OCC)C=C2)C(=O)[O-])CC1	REAL300001502294	0	55	0.0	-64.12	430.06	10.20	-53.92
CCC[N@@H+]1CCCCC1C(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300001502295	0	59	0.0	-56.69	439.18	10.18	-46.51
CCC[N@H+]1CCCCC1C(=O)NCC(CC1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300001502295	1	59	0.0	-51.32	442.06	10.37	-40.95
CCOC1=CC=C(CC(CNC(=O)C2=CC=CC=C2C[NH+](C)C)C(=O)[O-])C=C1	REAL300001502296	0	56	0.0	-54.28	428.48	11.19	-43.09
CCOC1=CC=C(CC(CNC(=O)CCN2CC[NH+](CC)CC2)C(=O)[O-])C=C1	REAL300001502298	0	61	0.0	-67.47	465.44	7.98	-59.49
CCOC1=CC=C(CC(CNC(=O)CC[NH+]2CCN(CC)CC2)C(=O)[O-])C=C1	REAL300001502298	1	61	0.0	-61.05	465.90	8.01	-53.04
CCOC1=CC=C(CC(CNC(=O)C[N@H+](C)C(C)C)C(=O)[O-])C=C1	REAL300001502299	0	52	0.0	-53.89	401.76	8.55	-45.34
CCOC1=CC=C(CC(CNC(=O)C[N@@H+](C)C(C)C)C(=O)[O-])C=C1	REAL300001502299	1	52	0.0	-55.18	401.71	8.55	-46.63
CCOC1=CC=C(CC(CNC(=O)C(C(C)C)[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300001502300	0	62	0.0	-53.29	456.38	10.81	-42.48
CCOC1=CC=C(CC(CNC(=O)C(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300001502301	1	56	0.0	-53.16	435.47	10.87	-42.29
CCOC1=CC=C(CC(CNC(=O)CCN2C=C[NH+]=C2C(C)C)C(=O)[O-])C=C1	REAL300001502306	1	57	0.0	-50.88	442.79	10.58	-40.30
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@@H+]2C2CCCC2)C(=O)[O-])C=C1	REAL300001502311	0	60	0.0	-52.55	435.40	10.70	-41.85
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@H+]2C2CCCC2)C(=O)[O-])C=C1	REAL300001502311	1	60	0.0	-56.38	444.90	10.79	-45.59
CCOC1=CC=C(CC(CNC(=O)C[N@H+](CC)C2CC2)C(=O)[O-])C=C1	REAL300001502313	0	53	0.0	-50.70	407.16	9.41	-41.29
CCOC1=CC=C(CC(CNC(=O)C[N@@H+](CC)C2CC2)C(=O)[O-])C=C1	REAL300001502313	1	53	0.0	-53.20	415.93	9.38	-43.82
CCOC1=CC=C(CC(CNC(=O)C(C)[NH+]2CCCCCC2)C(=O)[O-])C=C1	REAL300001502328	0	59	0.0	-47.93	431.87	10.17	-37.76
CCOC1=CC=C(CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300001502331	0	50	0.0	-53.04	387.33	7.89	-45.15
CCOC1=CC=C(CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300001502331	1	50	0.0	-51.47	383.19	8.45	-43.02
CCOC1=CC=C(CC(CNC(=O)C[NH2+]C(C)(C)C)C(=O)[O-])C=C1	REAL300001502383	0	52	0.0	-49.04	396.34	7.15	-41.89
CCOC1=CC=C(CC(CNC(=O)CCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300001502384	0	59	0.0	-66.34	458.66	10.67	-55.67
CCOC1=CC=C(CC(CNC(=O)C[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001502386	1	56	0.0	-58.71	444.04	10.94	-47.77
CCOC1=CC=C(CC(CNC(=O)C[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001502386	1	56	0.0	-60.05	443.95	10.95	-49.10
CCOC1=CC=C(CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)[O-])C=C1	REAL300001502393	0	55	0.0	-52.02	399.08	9.55	-42.47
CCOC1=CC=C(CC(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])C=C1	REAL300001502409	1	51	0.0	-70.34	421.39	8.89	-61.45
CCOC1=CC=C(CC(CNC(=O)C2=NOC(C[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300001502423	1	52	0.0	-72.42	415.50	8.40	-64.02
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@@H+]2C(C)C)C(=O)[O-])C=C1	REAL300001502433	0	56	0.0	-55.63	426.10	9.47	-46.16
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@H+]2C(C)C)C(=O)[O-])C=C1	REAL300001502433	1	56	0.0	-45.21	407.81	9.55	-35.66
CCOC1=CC=C(CC(CNC(=O)COC2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300001502450	0	57	0.0	-72.12	447.25	9.45	-62.67
CCC[N@@H+]1CCCC(C(=O)NCC(CC2=CC=C(OCC)C=C2)C(=O)[O-])C1	REAL300001502566	0	59	0.0	-62.11	451.06	10.39	-51.72
CCC[N@H+]1CCCC(C(=O)NCC(CC2=CC=C(OCC)C=C2)C(=O)[O-])C1	REAL300001502566	1	59	0.0	-63.54	451.04	10.38	-53.16
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@@H+]2CC(C)C)C(=O)[O-])C=C1	REAL300001502586	0	59	0.0	-55.10	452.06	10.54	-44.56
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@H+]2CC(C)C)C(=O)[O-])C=C1	REAL300001502586	1	59	0.0	-55.71	452.21	10.53	-45.18
CCOC1=CC=C(CC(CNC(=O)C[NH+]2CCC(CO)CC2)C(=O)[O-])C=C1	REAL300001502587	0	57	0.0	-57.19	441.13	6.53	-50.66
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300001502749	0	59	0.0	-60.62	446.17	10.15	-50.47
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300001502749	1	59	0.0	-51.72	430.03	10.41	-41.31
CCOC1=CC=C(CC(CNC(=O)CCC2=[NH+]C(C)=C(C)N2)C(=O)[O-])C=C1	REAL300001502768	1	54	0.0	-57.09	437.53	8.64	-48.45
CCOC1=CC=C(CC(CNC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300001503092	0	59	0.0	-70.29	462.73	11.77	-58.52
CCOC1=CC=C(CC(CNC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C(=O)[O-])C=C1	REAL300001503195	0	53	0.0	-60.79	406.95	9.15	-51.64
CCOC1=CC=C(CC(CNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300001503199	0	59	0.0	-65.85	439.61	10.04	-55.81
CCOC1=CC=C(CC(CNC(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C(=O)[O-])C=C1	REAL300001503202	0	51	0.0	-57.27	408.96	10.69	-46.58
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@H+](CC(C)C)C2)C(=O)[O-])C=C1	REAL300001503245	0	62	0.0	-58.56	462.20	11.25	-47.31
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@@H+](CC(C)C)C2)C(=O)[O-])C=C1	REAL300001503245	1	62	0.0	-53.48	455.73	11.31	-42.17
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@H+](CC)C2)C(=O)[O-])C=C1	REAL300001503246	0	56	0.0	-52.32	413.38	9.90	-42.42
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@@H+](CC)C2)C(=O)[O-])C=C1	REAL300001503246	1	56	0.0	-56.88	423.32	9.83	-47.05
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300001503251	0	53	0.0	-50.92	395.65	9.25	-41.67
CCOC1=CC=C(CC(CNC(=O)C2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300001503251	1	53	0.0	-50.98	395.73	9.25	-41.73
CCOC1=CC=C(CC(CNC(=O)C2=CC=C(C[NH+](C)C)O2)C(=O)[O-])C=C1	REAL300001503253	1	53	0.0	-69.44	430.79	9.06	-60.38
CCOC1=CC=C(CC(CNC(=O)C(C)(C)C2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300001503259	0	62	0.0	-69.11	457.30	10.48	-58.63
CCOC1=CC=C(CC(CNC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300001503259	1	62	0.0	-67.68	443.13	10.06	-57.62
CCOC1=CC=C(CC(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(=O)[O-])C=C1	REAL300001503262	0	55	0.0	-45.27	406.46	9.70	-35.57
CCOC1=CC=C(CC(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)C(=O)[O-])C=C1	REAL300001503262	1	55	0.0	-52.40	425.13	10.67	-41.73
O=C([O-])CN1C=CC2=CC(NC(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)=CC=C21	REAL300001504310	0	54	0.0	-81.70	425.66	12.98	-68.72
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)=CC=C21	REAL300001504886	0	51	0.0	-74.09	409.91	12.43	-61.66
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)=CC=C21	REAL300001504886	1	51	0.0	-73.13	408.58	12.41	-60.72
O=C([O-])CN1C=CC2=CC(NC(=O)C3CC[NH+](C4CC4)CC3)=CC=C21	REAL300001505743	0	48	0.0	-75.79	374.00	10.61	-65.18
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@@H+]3C3CC3)=CC=C21	REAL300001505769	0	45	0.0	-71.28	357.63	9.73	-61.55
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@H+]3C3CC3)=CC=C21	REAL300001505769	1	45	0.0	-68.41	357.33	10.06	-58.35
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C4C(=C3)C=CN4CC(=O)[O-])CN21	REAL300001505775	1	46	0.0	-68.51	372.23	10.47	-58.04
O=C([O-])CN1C=CC2=CC(NC(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)=CC=C21	REAL300001505776	0	54	0.0	-70.33	428.94	12.96	-57.37
C[N@@H+]1CCCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001505855	0	44	0.0	-68.63	346.52	9.37	-59.26
C[N@H+]1CCCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001505855	1	44	0.0	-68.68	346.62	9.36	-59.32
CC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])N1CC[NH+](C)CC1	REAL300001505856	1	49	0.0	-74.05	378.12	7.60	-66.45
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001505897	0	44	0.0	-68.63	346.45	9.36	-59.27
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001505897	1	44	0.0	-71.80	337.26	9.15	-62.65
C[NH+]1CCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001505982	0	44	0.0	-78.69	349.16	9.41	-69.28
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CN4C=[NH+]C=C4C=C3)=CC=C21	REAL300001506010	0	39	0.0	-74.94	334.98	11.27	-63.67
C[NH+](C)CC1(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CCCCC1	REAL300001506045	0	53	0.0	-76.73	387.50	11.20	-65.53
C[N@H+](CCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CCCCC1	REAL300001506050	0	53	0.0	-76.56	403.22	11.34	-65.22
C[N@@H+](CCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CCCCC1	REAL300001506050	1	53	0.0	-76.40	403.22	11.35	-65.05
C[N@@H+]1CCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506066	0	41	0.0	-73.05	324.82	8.31	-64.74
C[N@H+]1CCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506066	1	41	0.0	-70.80	329.58	8.78	-62.02
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)=CC=C21	REAL300001506071	1	51	0.0	-73.39	408.87	11.98	-61.41
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)=CC=C21	REAL300001506071	1	51	0.0	-75.42	414.84	12.50	-62.92
C[NH+]1CCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001506121	0	44	0.0	-78.69	349.16	9.41	-69.28
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)=CC=C21	REAL300001506125	0	47	0.0	-81.06	393.86	10.37	-70.69
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC[N@@H+]3C3CCCC3)=CC=C21	REAL300001506144	0	54	0.0	-68.74	397.24	11.66	-57.08
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC[N@H+]3C3CCCC3)=CC=C21	REAL300001506144	1	54	0.0	-66.33	401.82	11.59	-54.74
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC([NH+]4CCOCC4)CC3)=CC=C21	REAL300001506145	0	55	0.0	-82.84	416.31	10.02	-72.82
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506180	1	45	0.0	-72.00	375.78	10.66	-61.34
O=C([O-])CN1C=CC2=CC(NC(=O)CCCC[NH+]3CCOCC3)=CC=C21	REAL300001506181	1	51	0.0	-79.06	403.08	9.34	-69.72
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=C1)C(C)C	REAL300001506184	0	56	0.0	-79.60	431.02	12.85	-66.75
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=C1)C(C)C	REAL300001506184	1	56	0.0	-79.54	422.65	12.43	-67.11
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506187	0	41	0.0	-71.39	324.63	8.33	-63.06
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506187	1	41	0.0	-69.32	330.91	8.82	-60.50
C[NH+](C)C1(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001506196	1	41	0.0	-79.37	326.82	9.35	-70.02
O=C([O-])CN1C=CC2=CC(NC(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300001506242	0	51	0.0	-75.26	407.64	12.14	-63.12
O=C([O-])CN1C=CC2=CC(NC(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300001506242	1	51	0.0	-76.81	409.50	12.21	-64.60
O=C([O-])CN1C=CC2=CC(NC(=O)C3CC[NH+](C4CCSC4)CC3)=CC=C21	REAL300001506243	0	52	0.0	-82.54	404.36	11.38	-71.16
O=C([O-])CN1C=CC2=CC(NC(=O)CC3([NH+]4CCOCC4)CCCC3)=CC=C21	REAL300001506267	0	55	0.0	-75.14	401.27	9.61	-65.53
CCC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+](CC)CC	REAL300001506271	0	49	0.0	-66.55	367.38	10.19	-56.36
CC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300001506273	1	50	0.0	-74.58	398.16	11.79	-62.79
CC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300001506273	1	50	0.0	-74.11	399.46	11.74	-62.37
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=N1	REAL300001506306	0	46	0.0	-78.83	378.47	9.78	-69.05
CCC[NH+](CCC)CCCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506312	0	55	0.0	-75.39	426.79	11.97	-63.42
CC[N@H+](C)C(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1=CC=CC=C1	REAL300001506313	1	50	0.0	-67.80	398.19	11.89	-55.91
CC[N@@H+](C)C(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1=CC=CC=C1	REAL300001506313	1	50	0.0	-69.29	397.26	11.90	-57.39
C[N@@H+]1CCOC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001506315	1	42	0.0	-75.03	334.76	7.94	-67.09
C[N@H+]1CCOC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001506315	1	42	0.0	-83.05	342.23	8.12	-74.93
CC[NH+](CC)C(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1=CC=CC=C1	REAL300001506317	0	53	0.0	-69.27	403.42	12.01	-57.26
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506326	1	45	0.0	-69.15	370.54	10.49	-58.66
C[NH+](C)C(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001506331	1	47	0.0	-73.22	396.26	11.76	-61.46
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)=CC=C21	REAL300001506343	0	51	0.0	-82.48	407.78	12.38	-70.10
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)=CC=C21	REAL300001506350	0	54	0.0	-77.08	424.24	13.10	-63.98
C[NH+](C)CC1(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001506356	0	44	0.0	-76.18	355.70	9.57	-66.61
C[NH+](C)CCCCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506365	0	46	0.0	-77.32	370.17	9.89	-67.43
CC(C)C(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+](C)C	REAL300001506374	0	46	0.0	-74.48	357.48	9.35	-65.13
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)=CC=C21	REAL300001506387	0	54	0.0	-71.67	413.83	12.72	-58.95
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)=CC=C21	REAL300001506387	1	54	0.0	-70.35	414.02	12.74	-57.61
CC1=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300001506389	1	45	0.0	-82.50	379.03	9.62	-72.88
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)=CC=C21	REAL300001506397	0	54	0.0	-82.82	424.52	13.09	-69.73
O=C([O-])CN1C=CC2=CC(NC(=O)C3=NOC(C[NH+]4CCCC4)=C3)=CC=C21	REAL300001506411	1	47	0.0	-80.39	388.21	9.84	-70.55
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=C1	REAL300001506412	0	50	0.0	-84.69	405.45	12.07	-72.62
O=C([O-])CN1C=CC2=CC(NC(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)=CC=C21	REAL300001506425	1	52	0.0	-83.02	411.45	11.52	-71.50
O=C([O-])CN1C=CC2=CC(NC(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)=CC=C21	REAL300001506425	1	52	0.0	-79.44	411.51	11.52	-67.92
CCC[N@H+](C)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506434	0	43	0.0	-73.59	344.04	9.16	-64.43
CCC[N@@H+](C)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506434	1	43	0.0	-73.10	343.76	9.18	-63.92
C[N@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CCC1	REAL300001506457	0	44	0.0	-70.98	351.03	9.73	-61.25
C[N@@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CCC1	REAL300001506457	1	44	0.0	-71.29	350.93	9.73	-61.56
C[N@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])CC(C)(C)C	REAL300001506488	0	49	0.0	-74.13	374.08	10.24	-63.89
C[N@@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])CC(C)(C)C	REAL300001506488	1	49	0.0	-72.33	374.93	10.32	-62.01
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506490	1	50	0.0	-77.73	403.94	12.19	-65.54
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506490	1	50	0.0	-77.76	403.94	12.19	-65.57
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506491	0	54	0.0	-76.15	432.97	8.37	-67.78
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506491	1	54	0.0	-76.97	432.99	8.37	-68.60
CC[C@@H](C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+](C)C	REAL300001506495	0	43	0.0	-69.54	334.50	8.78	-60.76
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001506497	0	48	0.0	-69.36	365.44	7.82	-61.54
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001506497	1	48	0.0	-75.46	362.37	7.94	-67.52
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)=CC=C21	REAL300001506516	1	53	0.0	-74.76	408.73	11.00	-63.76
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)=CC=C21	REAL300001506516	1	53	0.0	-74.98	408.98	11.00	-63.98
CCCCCC[N@H+](C)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506519	0	52	0.0	-74.70	408.54	11.50	-63.20
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506519	1	52	0.0	-74.13	408.26	11.52	-62.61
O=C([O-])CN1C=CC2=CC(NC(=O)C34CCC[NH+]3CCC4)=CC=C21	REAL300001506529	0	45	0.0	-71.38	349.05	9.70	-61.68
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC4=C[NH+]=CN4C=C3)=CC=C21	REAL300001506537	1	39	0.0	-80.28	335.25	11.28	-69.00
C[N@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CCSC1	REAL300001506550	1	45	0.0	-78.16	364.30	9.98	-68.18
C[N@@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CCSC1	REAL300001506550	1	45	0.0	-77.51	363.80	10.02	-67.49
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001506566	0	55	0.0	-74.28	420.16	8.93	-65.35
CC(C)N1CC[NH+](CCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001506566	1	55	0.0	-77.29	416.47	8.73	-68.56
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001506567	0	58	0.0	-73.04	441.66	9.73	-63.31
CC(C)N1CC[NH+](CCCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001506567	1	58	0.0	-77.38	438.47	9.57	-67.81
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC4CCC[N@@H+]43)=CC=C21	REAL300001506568	0	48	0.0	-70.56	361.05	10.31	-60.25
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCCC4CCC[N@H+]43)=CC=C21	REAL300001506568	1	48	0.0	-71.38	361.34	10.33	-61.05
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=N1	REAL300001506570	0	47	0.0	-83.19	389.13	9.25	-73.94
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)=CC=C21	REAL300001506581	0	53	0.0	-77.46	414.88	11.37	-66.09
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)=CC=C21	REAL300001506581	1	53	0.0	-78.28	414.81	11.37	-66.91
CC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300001506586	1	51	0.0	-72.35	403.13	12.13	-60.22
CC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300001506586	1	51	0.0	-72.82	399.57	12.30	-60.52
CCCC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+](C)C	REAL300001506605	0	46	0.0	-69.94	356.53	9.56	-60.38
O=C([O-])CN1C=CC2=CC(NC(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300001506606	0	54	0.0	-81.28	429.94	12.97	-68.31
O=C([O-])CN1C=CC2=CC(NC(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300001506606	1	54	0.0	-78.64	429.35	12.97	-65.67
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=N1	REAL300001506621	0	47	0.0	-89.28	389.49	9.28	-80.00
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506622	0	47	0.0	-78.70	377.04	9.65	-69.05
C[C@@H]1[C@H](C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC[N@@H+]1C	REAL300001506626	0	44	0.0	-79.77	341.15	8.74	-71.03
C[C@@H]1[C@H](C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC[N@H+]1C	REAL300001506626	1	44	0.0	-74.09	346.94	9.12	-64.97
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506628	1	48	0.0	-70.55	390.76	10.96	-59.59
CC[C@@H]1[C@@H](C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC[N@@H+]1C	REAL300001506631	0	47	0.0	-74.67	361.28	9.44	-65.23
CC[C@@H]1[C@@H](C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC[N@H+]1C	REAL300001506631	1	47	0.0	-76.47	367.31	9.74	-66.73
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=NN1	REAL300001506633	1	48	0.0	-81.02	390.59	8.84	-72.18
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=NN1	REAL300001506633	1	48	0.0	-79.93	390.74	8.82	-71.11
CC1C[N@H+](C)CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])O1	REAL300001506640	1	45	0.0	-83.68	363.40	8.85	-74.83
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])O1	REAL300001506640	1	45	0.0	-84.03	356.15	8.42	-75.61
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)=CC=C21	REAL300001506646	1	50	0.0	-67.49	405.35	10.85	-56.64
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@H+]3CC3=CC=CC=N3)=CC=C21	REAL300001506646	1	50	0.0	-68.37	398.13	10.06	-58.31
O=C([O-])CN1C=CC2=CC(NC(=O)C[NH+]3CCCC3)=CC=C21	REAL300001506649	0	41	0.0	-73.50	328.77	8.77	-64.73
CC1=[NH+]C=CN1CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506651	1	39	0.0	-69.21	334.24	9.38	-59.83
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506653	1	48	0.0	-75.90	376.37	8.47	-67.43
CC1CC[NH+](CC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001506669	0	47	0.0	-73.33	367.72	10.25	-63.08
CC[N@@H+]1CCOC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001506680	1	45	0.0	-80.20	359.40	8.78	-71.42
CC[N@H+]1CCOC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001506680	1	45	0.0	-73.55	352.55	8.59	-64.96
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001506717	1	54	0.0	-81.99	426.39	11.31	-70.68
O=C([O-])CN1C=CC2=CC(NC(=O)C3CC[N@@H+](C4CCCCC4)C3)=CC=C21	REAL300001506718	0	54	0.0	-72.13	410.44	11.68	-60.45
O=C([O-])CN1C=CC2=CC(NC(=O)C3CC[N@H+](C4CCCCC4)C3)=CC=C21	REAL300001506718	1	54	0.0	-73.19	409.52	11.62	-61.57
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506724	0	47	0.0	-76.33	371.92	10.26	-66.07
C[N@H+]1CCCC1CCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506724	1	47	0.0	-74.46	366.72	9.77	-64.69
O=C([O-])CN1C=CC2=CC(NC(=O)C34CCC[NH+](CCC3)C4)=CC=C21	REAL300001506737	0	48	0.0	-73.80	362.01	9.95	-63.85
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506739	1	45	0.0	-78.71	353.35	5.82	-72.89
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506739	1	45	0.0	-77.35	351.27	5.89	-71.46
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC4CCCC[N@@H+]43)=CC=C21	REAL300001506740	0	48	0.0	-68.76	366.44	10.25	-58.51
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC4CCCC[N@H+]43)=CC=C21	REAL300001506740	1	48	0.0	-67.76	372.61	10.69	-57.07
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506747	0	51	0.0	-70.77	385.52	8.82	-61.95
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=N1	REAL300001506752	0	54	0.0	-85.30	411.30	9.90	-75.40
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=N1	REAL300001506752	1	54	0.0	-86.26	429.10	10.56	-75.70
CC[NH+](CC)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506764	0	43	0.0	-71.63	340.63	9.08	-62.55
CC(C)[NH+]1CCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001506766	0	50	0.0	-76.88	383.47	10.59	-66.29
O=C([O-])CN1C=CC2=CC(NC(=O)C34CC[NH+](CC3)C4)=CC=C21	REAL300001506846	0	42	0.0	-76.44	336.43	8.27	-68.17
CCC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+](C)C	REAL300001506849	0	43	0.0	-70.01	335.40	8.79	-61.22
O=C([O-])CN1C=CC2=CC(NC(=O)C34CC[N@H+](C3)CCC4)=CC=C21	REAL300001506857	0	45	0.0	-74.05	346.13	8.97	-65.08
O=C([O-])CN1C=CC2=CC(NC(=O)C34CC[N@@H+](C3)CCC4)=CC=C21	REAL300001506857	1	45	0.0	-74.36	346.82	8.97	-65.39
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506904	0	47	0.0	-70.47	362.07	9.63	-60.84
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=C1	REAL300001506905	0	47	0.0	-77.02	382.97	11.23	-65.79
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300001506906	0	54	0.0	-74.06	425.74	12.93	-61.13
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300001506906	1	54	0.0	-74.72	425.66	12.93	-61.79
C[NH+](C)C1(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CCC1	REAL300001506944	0	44	0.0	-75.43	338.04	8.88	-66.55
C#CC[NH+]1CCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001506973	0	46	0.0	-79.35	373.84	10.56	-68.79
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506975	0	50	0.0	-67.94	385.41	10.78	-57.16
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506975	1	50	0.0	-67.64	386.03	10.73	-56.91
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506976	0	47	0.0	-61.12	375.64	11.47	-49.65
CC[NH+]1CCN(CCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001506978	0	52	0.0	-78.39	402.25	8.27	-70.12
CCN1CC[NH+](CCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001506978	1	52	0.0	-76.34	403.42	8.41	-67.93
CC(C)[N@H+](C)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506979	0	43	0.0	-70.82	339.23	8.94	-61.88
CC(C)[N@@H+](C)CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506979	1	43	0.0	-70.29	338.95	8.96	-61.33
CC(C)C(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+]1CCCCC1	REAL300001506980	0	53	0.0	-70.29	394.18	11.75	-58.54
C[NH+](C)C(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1=CC=CC=C1	REAL300001506981	1	47	0.0	-69.46	379.18	11.25	-58.21
O=C([O-])CN1C=CC2=CC(NC(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300001506985	0	52	0.0	-72.62	418.73	9.20	-63.42
O=C([O-])CN1C=CC2=CC(NC(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)=CC=C21	REAL300001506985	1	52	0.0	-72.46	417.93	9.15	-63.31
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001506990	1	48	0.0	-68.70	390.22	10.91	-57.79
C[NH+](C)CC1=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])OC2=CC=CC=C21	REAL300001506992	0	50	0.0	-63.74	404.06	11.57	-52.17
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@@H+]3C3CCCC3)=CC=C21	REAL300001506998	0	51	0.0	-71.63	381.02	10.86	-60.77
O=C([O-])CN1C=CC2=CC(NC(=O)C3CCC[N@H+]3C3CCCC3)=CC=C21	REAL300001506998	1	51	0.0	-68.05	388.15	11.15	-56.90
CC[N@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CC1	REAL300001507000	0	44	0.0	-70.51	353.40	9.78	-60.73
CC[N@@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])C1CC1	REAL300001507000	1	44	0.0	-70.98	351.01	9.76	-61.22
CC(C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+]1CCCCCC1	REAL300001507029	0	50	0.0	-68.68	374.27	10.20	-58.48
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001507033	0	41	0.0	-69.21	330.39	8.70	-60.51
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001507033	1	41	0.0	-71.19	324.80	8.30	-62.89
CC(C)(C)[NH2+]CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001507118	0	43	0.0	-72.20	343.76	7.48	-64.72
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])O1	REAL300001507120	0	50	0.0	-78.24	404.20	10.93	-67.31
O=C([O-])CN1C=CC2=CC(NC(=O)CCCC[NH+]3CCCC3)=CC=C21	REAL300001507121	0	50	0.0	-75.69	396.14	11.07	-64.62
CC1=CC=C(N2CCC(C(=O)NC3=CC=C4C(=C3)C=CN4CC(=O)[O-])CC2)[NH+]=C1	REAL300001507123	1	53	0.0	-75.62	419.15	10.81	-64.81
C[N@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])CC1=CC=CC=C1	REAL300001507124	1	47	0.0	-78.09	381.47	11.34	-66.75
C[N@@H+](CC(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])CC1=CC=CC=C1	REAL300001507124	1	47	0.0	-79.36	381.46	11.34	-68.02
CC(C)[C@@H](C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-])[NH+](C)C	REAL300001507135	0	46	0.0	-71.15	354.11	9.74	-61.41
C[NH+](C)CC1=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=NO1	REAL300001507181	1	43	0.0	-81.24	363.92	8.78	-72.46
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001507185	0	54	0.0	-80.18	429.25	12.74	-67.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001507185	1	54	0.0	-78.36	425.39	12.84	-65.52
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001507199	0	47	0.0	-69.95	356.76	9.79	-60.16
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001507199	1	47	0.0	-69.76	356.70	9.75	-60.01
C[NH+]1CCC(OCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001507221	0	48	0.0	-81.03	384.76	9.77	-71.26
O=C([O-])CN1C=CC2=CC(NC(=O)C3=CC=C(C[NH+]4CCCCC4)O3)=CC=C21	REAL300001507226	0	51	0.0	-79.96	409.89	11.34	-68.62
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001507416	0	50	0.0	-67.52	382.55	10.97	-56.55
CCC[N@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001507416	1	50	0.0	-74.46	388.81	10.77	-63.69
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001507447	0	50	0.0	-70.87	389.59	10.92	-59.95
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C2C(=C1)C=CN2CC(=O)[O-]	REAL300001507447	1	50	0.0	-69.96	389.51	10.96	-59.00
O=C([O-])CN1C=CC2=CC(NC(=O)C[NH+]3CCC(CO)CC3)=CC=C21	REAL300001507448	1	48	0.0	-74.22	378.51	6.93	-67.29
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001507676	0	50	0.0	-71.74	383.97	10.53	-61.21
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001507676	1	50	0.0	-72.89	383.98	10.54	-62.35
C[N@@H+]1CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C(C(F)(F)F)C1	REAL300001507677	0	44	0.0	-78.35	358.52	9.87	-68.48
C[N@H+]1CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C(C(F)(F)F)C1	REAL300001507677	1	44	0.0	-80.28	355.53	9.99	-70.29
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])N1	REAL300001507702	1	45	0.0	-69.60	375.05	9.04	-60.56
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])=C1	REAL300001508189	0	50	0.0	-78.07	405.46	12.07	-66.00
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C=C1	REAL300001508196	0	51	0.0	-82.60	412.76	11.02	-71.58
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001508335	0	44	0.0	-74.29	354.36	9.48	-64.81
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])CC1	REAL300001508339	0	50	0.0	-67.45	376.89	10.43	-57.02
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C4C(=C3)C=CN4CC(=O)[O-])=CN21	REAL300001508343	0	42	0.0	-72.54	356.40	11.04	-61.50
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001508405	0	53	0.0	-68.21	399.98	11.66	-56.55
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001508405	1	53	0.0	-72.93	405.65	11.48	-61.45
CC[N@@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001508406	0	47	0.0	-67.13	361.06	10.22	-56.91
CC[N@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001508406	1	47	0.0	-66.96	360.57	10.21	-56.75
C[N@@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001508410	0	44	0.0	-73.87	349.34	9.38	-64.49
C[N@H+]1CCCC(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001508410	1	44	0.0	-74.40	349.15	9.36	-65.04
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])O1	REAL300001508412	1	44	0.0	-81.42	369.34	9.56	-71.86
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001508418	0	53	0.0	-77.80	394.55	10.88	-66.92
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C3C(=C2)C=CN3CC(=O)[O-])C1	REAL300001508418	1	53	0.0	-76.05	394.58	10.89	-65.16
O=C([O-])CN1C=CC2=CC(NC(=O)C34CC(C3)CN4C3CC3)=CC=C21	REAL300001508421	0	46	0.0	-75.27	360.83	10.82	-64.45
O=C([O-])CN1C=CC2=CC(NC(=O)C34CC(C3)C[N@@H+]4C3CC3)=CC=C21	REAL300001508421	1	46	0.0	-69.25	361.59	10.38	-58.87
O=C([O-])CN1C=CC2=CC(NC(=O)C34CC(C3)C[N@H+]4C3CC3)=CC=C21	REAL300001508421	1	46	0.0	-75.27	360.83	10.82	-64.45
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300001509783	0	57	0.0	-72.36	431.29	10.93	-61.43
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300001509783	1	57	0.0	-73.39	428.07	10.62	-62.77
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300001510547	0	54	0.0	-62.86	393.49	9.04	-53.82
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300001510570	0	51	0.0	-66.78	376.04	8.34	-58.44
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CCC[N@H+]1C1CC1	REAL300001510570	1	51	0.0	-70.05	382.41	8.71	-61.34
CC1=[NH+]C=C2CCC(C(=O)N(C)CC(=O)N3CCC(C(=O)[O-])CC3)CN12	REAL300001510576	1	52	0.0	-68.70	395.32	8.99	-59.71
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CCCC[N@@H+]1C	REAL300001510651	0	50	0.0	-68.60	358.39	7.53	-61.07
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CCCC[N@H+]1C	REAL300001510651	1	50	0.0	-72.27	370.10	8.02	-64.25
CC(C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300001510652	1	55	0.0	-74.17	404.41	6.29	-67.88
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@@H]1CCCC[N@@H+]1C	REAL300001510689	0	50	0.0	-69.06	362.49	7.74	-61.32
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@@H]1CCCC[N@H+]1C	REAL300001510689	1	50	0.0	-68.76	371.89	8.10	-60.66
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CC[NH+](C)CC1	REAL300001510768	0	50	0.0	-64.97	368.59	7.83	-57.14
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300001510833	0	59	0.0	-77.92	428.15	10.09	-67.83
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300001510833	1	59	0.0	-75.01	428.09	10.05	-64.96
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CCC[N@@H+]1C	REAL300001510848	0	47	0.0	-69.84	348.69	7.04	-62.80
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CCC[N@H+]1C	REAL300001510848	1	47	0.0	-72.24	348.76	6.98	-65.26
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300001510901	0	53	0.0	-79.12	415.78	8.70	-70.42
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300001510919	0	60	0.0	-66.96	418.58	10.02	-56.94
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CCCC[N@H+]1C1CCCC1	REAL300001510919	1	60	0.0	-71.31	418.77	10.10	-61.21
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300001510920	0	61	0.0	-65.41	435.64	8.45	-56.96
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CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300001511810	1	53	0.0	-75.17	406.64	10.03	-65.14
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300001511810	1	53	0.0	-75.75	406.42	10.03	-65.72
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300001511837	1	48	0.0	-82.07	383.76	7.50	-74.57
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300001511860	1	49	0.0	-84.64	386.01	7.70	-76.94
CC(C)[N@@H+]1CCCC1C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1	REAL300001511874	0	53	0.0	-70.71	387.09	8.43	-62.28
CC(C)[N@H+]1CCCC1C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1	REAL300001511874	1	53	0.0	-70.32	374.08	8.38	-61.94
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)COC1CC[NH+](C)CC1	REAL300001511896	0	54	0.0	-81.32	409.92	8.60	-72.72
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001511900	0	57	0.0	-81.01	433.38	10.24	-70.77
CCC[N@@H+]1CCCC(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300001512070	0	56	0.0	-69.58	404.15	9.46	-60.12
CCC[N@H+]1CCCC(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300001512070	1	56	0.0	-66.81	404.56	9.52	-57.29
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1	REAL300001512098	0	56	0.0	-70.91	407.10	9.05	-61.86
CC(C)C[N@H+]1CCCC1C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1	REAL300001512098	1	56	0.0	-69.67	412.71	9.53	-60.14
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C[NH+]1CCC(CO)CC1	REAL300001512099	1	54	0.0	-74.11	403.87	5.61	-68.50
CC(C)[N@@H+]1CCCC(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300001512297	0	56	0.0	-69.16	399.30	9.23	-59.93
CC(C)[N@H+]1CCCC(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300001512297	1	56	0.0	-66.70	398.29	9.20	-57.50
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300001512298	0	50	0.0	-76.77	390.07	7.98	-68.79
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300001512298	1	50	0.0	-84.92	379.80	7.81	-77.11
CC1=C(C)[NH+]=C(CCC(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)N1	REAL300001512321	1	51	0.0	-68.67	400.21	7.76	-60.91
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC(CC[NH+](C)C)=CC=C1	REAL300001512770	0	56	0.0	-82.46	426.78	10.40	-72.06
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300001512775	0	57	0.0	-90.59	434.09	9.35	-81.24
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300001512907	0	50	0.0	-76.80	379.11	8.19	-68.61
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300001512911	0	56	0.0	-74.69	397.36	8.86	-65.83
CC1=[NH+]C=C2C=CC(C(=O)N(C)CC(=O)N3CCC(C(=O)[O-])CC3)=CN21	REAL300001512915	0	48	0.0	-75.82	378.10	9.37	-66.45
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300001512975	0	59	0.0	-71.04	418.85	10.10	-60.94
CC(C)C[N@H+]1CCCC(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300001512975	1	59	0.0	-75.00	429.15	10.03	-64.97
CC[N@@H+]1CCCC(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300001512976	0	53	0.0	-69.22	382.62	8.71	-60.51
CC[N@H+]1CCCC(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300001512976	1	53	0.0	-74.88	388.79	8.52	-66.36
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CCC[N@H+](C)C1	REAL300001512981	0	50	0.0	-66.89	363.97	8.04	-58.85
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CCC[N@@H+](C)C1	REAL300001512981	1	50	0.0	-76.50	371.12	7.87	-68.63
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300001512983	1	50	0.0	-87.80	390.31	8.25	-79.55
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300001512989	0	59	0.0	-79.84	404.61	8.74	-71.10
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300001512989	1	59	0.0	-81.84	412.69	9.13	-72.71
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C12CC(C1)CN2C1CC1	REAL300001512992	0	52	0.0	-71.24	380.11	9.59	-61.65
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300001512992	1	52	0.0	-69.43	384.15	9.00	-60.43
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300001512992	1	52	0.0	-71.24	380.11	9.59	-61.65
CC(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001513979	0	46	0.0	-76.77	354.42	8.63	-68.14
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001515090	1	43	0.0	-64.90	349.81	8.10	-56.80
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001515090	1	43	0.0	-67.64	355.65	8.63	-59.01
CC(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300001515132	0	46	0.0	-65.10	350.12	8.13	-56.97
CC1=NC(C[NH+]2CCC(C(=O)NCC(C)C(=O)[O-])CC2)=CS1	REAL300001515164	1	45	0.0	-76.11	362.15	6.44	-69.67
CC(CNC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001515196	0	49	0.0	-76.47	387.68	8.19	-68.28
CC(CNC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001515201	0	49	0.0	-78.20	389.35	10.52	-67.68
CC(CNC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001515201	1	49	0.0	-77.20	388.48	10.52	-66.68
CC(CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001515202	0	49	0.0	-68.05	369.04	9.13	-58.92
CC(CNC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001515228	0	46	0.0	-66.84	369.87	8.81	-58.03
CC(CNC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001515228	1	46	0.0	-65.25	371.73	8.99	-56.26
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001515256	1	46	0.0	-66.85	350.10	8.53	-58.32
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001515256	1	46	0.0	-66.91	359.55	8.67	-58.24
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001515257	1	43	0.0	-65.77	339.49	7.65	-58.12
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001515257	1	43	0.0	-68.59	345.32	8.18	-60.41
CC(CNC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300001515296	0	49	0.0	-78.93	387.78	8.21	-70.72
CC[N@H+](CC1=CC=C(C(=O)NCC(C)C(=O)[O-])C=C1)C(C)C	REAL300001515322	0	48	0.0	-76.68	361.18	8.54	-68.14
CC[N@@H+](CC1=CC=C(C(=O)NCC(C)C(=O)[O-])C=C1)C(C)C	REAL300001515322	1	48	0.0	-76.54	351.98	8.12	-68.42
CC(CNC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300001515336	0	44	0.0	-78.34	334.31	7.10	-71.24
CC(CNC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300001515353	1	48	0.0	-68.49	368.71	6.78	-61.71
CC(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001515359	0	49	0.0	-73.13	377.27	9.49	-63.64
CC(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001515359	1	49	0.0	-64.48	372.70	9.74	-54.74
CC(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300001515388	1	47	0.0	-62.77	362.39	5.39	-57.38
CC(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300001515401	0	46	0.0	-72.81	353.33	8.76	-64.05
CCN1CCC([NH+]2CCC(C(=O)NCC(C)C(=O)[O-])CC2)CC1	REAL300001515406	0	54	0.0	-74.64	389.35	6.40	-68.24
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC(C)C(=O)[O-])=C1	REAL300001515408	0	56	0.0	-75.20	435.46	12.19	-63.01
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC(C)C(=O)[O-])=C1	REAL300001515408	1	56	0.0	-76.78	437.54	12.14	-64.64
CC(CNC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300001515412	1	50	0.0	-82.62	387.48	7.82	-74.80
CC(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001515422	1	47	0.0	-80.94	361.99	7.96	-72.98
CC(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001515422	1	47	0.0	-81.33	362.11	7.93	-73.40
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001515435	0	46	0.0	-62.49	353.79	8.63	-53.86
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001515435	1	46	0.0	-62.74	342.81	8.42	-54.32
CC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300001515438	0	46	0.0	-80.03	353.90	8.74	-71.29
CC(CNC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001515445	0	56	0.0	-71.95	429.34	11.68	-60.27
CC(CNC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001515445	1	56	0.0	-73.16	428.86	11.51	-61.65
CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001515448	1	44	0.0	-71.59	342.23	7.37	-64.22
CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001515448	1	44	0.0	-70.91	340.66	7.31	-63.60
CC(CNC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300001515449	0	53	0.0	-62.05	391.49	10.00	-52.05
CC(CNC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300001515449	1	53	0.0	-64.08	398.68	10.28	-53.80
CC(CNC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001515456	0	52	0.0	-64.90	393.56	9.94	-54.96
CC(CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001515475	0	51	0.0	-76.06	388.79	7.59	-68.47
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300001515476	1	45	0.0	-67.14	348.18	6.85	-60.29
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300001515476	1	45	0.0	-67.20	348.12	6.85	-60.35
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300001515477	1	45	0.0	-63.39	347.16	6.73	-56.66
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300001515477	1	45	0.0	-65.60	339.44	6.70	-58.90
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC(C)C(=O)[O-])CC2)=C1	REAL300001515492	0	51	0.0	-74.48	388.69	7.45	-67.03
CC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001515493	0	48	0.0	-74.29	366.41	6.77	-67.52
CC(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001515495	0	45	0.0	-72.68	351.20	6.93	-65.75
CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001515495	1	45	0.0	-72.54	351.27	6.82	-65.72
CC(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001515517	0	46	0.0	-74.60	356.69	8.58	-66.02
CC(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001515517	1	46	0.0	-75.75	359.30	8.68	-67.07
CC(CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001515530	0	46	0.0	-72.25	361.13	8.70	-63.55
CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001515530	1	46	0.0	-72.28	362.00	8.72	-63.56
CC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001515532	0	47	0.0	-73.99	364.14	6.18	-67.81
CC(CNC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300001515546	1	46	0.0	-81.65	352.03	6.90	-74.75
CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001515556	0	51	0.0	-74.37	386.54	7.45	-66.92
CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001515556	1	51	0.0	-69.79	386.00	7.57	-62.22
CC(C)[N@@H+]1CCC(C(=O)NCC(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001515558	0	52	0.0	-72.74	384.35	7.18	-65.56
CC(C)[N@H+]1CCC(C(=O)NCC(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001515558	1	52	0.0	-79.22	385.67	6.94	-72.28
CC(CNC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300001515559	0	46	0.0	-81.02	350.00	5.82	-75.20
CC(CNC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300001515559	1	46	0.0	-82.28	350.88	5.84	-76.44
CC(CNC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300001515562	0	48	0.0	-71.38	370.44	6.34	-65.04
CC(CNC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300001515563	0	48	0.0	-76.94	369.50	6.16	-70.78
CC(CNC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300001515563	1	48	0.0	-80.85	370.72	6.24	-74.61
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(C)C(=O)[O-])C=C1	REAL300001515564	0	49	0.0	-77.18	378.45	8.09	-69.09
CC(CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001515591	0	50	0.0	-82.54	386.69	6.13	-76.41
CC(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001515593	0	46	0.0	-68.65	355.63	8.65	-60.00
CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001515593	1	46	0.0	-68.92	356.39	8.68	-60.24
CC(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001515633	0	44	0.0	-67.90	347.47	4.87	-63.03
CC(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001515633	1	44	0.0	-66.99	348.21	4.92	-62.07
CC(CNC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300001515636	0	42	0.0	-59.35	338.94	7.29	-52.06
CC[NH+](CC)C(C(=O)NCC(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300001515638	0	48	0.0	-64.61	371.03	8.78	-55.83
CC(C)C(C(=O)NCC(C)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300001515653	1	49	0.0	-62.69	360.06	6.51	-56.18
CC(CNC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001515667	1	44	0.0	-79.34	348.24	7.41	-71.93
CC(CNC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001515667	1	44	0.0	-79.32	348.27	7.41	-71.91
CC1=CC=C(N2CCC(C(=O)NCC(C)C(=O)[O-])CC2)[NH+]=C1	REAL300001515695	1	45	0.0	-70.29	348.51	6.54	-63.75
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC(C)C(=O)[O-])C=C2)CC1	REAL300001515697	0	51	0.0	-79.18	381.47	7.32	-71.86
CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001515714	0	46	0.0	-72.53	356.68	8.54	-63.99
CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001515714	1	46	0.0	-72.37	356.00	8.46	-63.91
CC(CNC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001515727	0	47	0.0	-79.65	377.79	7.94	-71.71
CC(CNC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001515750	0	45	0.0	-72.35	347.55	6.66	-65.69
CC(CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001515750	1	45	0.0	-65.90	347.92	6.78	-59.12
CC(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001515854	0	47	0.0	-74.22	363.38	8.94	-65.28
CC(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001515854	1	47	0.0	-75.19	364.71	9.00	-66.19
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001515874	1	46	0.0	-63.63	360.40	8.69	-54.94
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001515874	1	46	0.0	-68.44	358.63	8.65	-59.79
CC(CNC(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001516119	0	54	0.0	-83.92	418.58	8.63	-75.29
CC(CNC(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001516119	1	54	0.0	-88.56	420.99	8.53	-80.03
CC(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001516142	0	49	0.0	-69.30	373.31	9.37	-59.93
CC(CNC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001516143	1	47	0.0	-82.16	359.99	7.10	-75.06
CC(CNC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001516143	1	47	0.0	-82.39	360.80	7.13	-75.26
CC(CNC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001516167	0	55	0.0	-65.25	394.61	9.82	-55.43
CC(CNC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001516167	1	55	0.0	-80.78	410.32	9.92	-70.86
O=C([O-])C1=C(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C2=CC=CC=C2O1	REAL300001517224	0	53	0.0	-73.55	421.90	11.47	-62.08
O=C([O-])C1=C(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C2=CC=CC=C2O1	REAL300001517796	0	50	0.0	-54.93	398.68	10.36	-44.57
O=C([O-])C1=C(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C2=CC=CC=C2O1	REAL300001517796	1	50	0.0	-61.45	404.72	10.90	-50.55
O=C([O-])C1=C(CNC(=O)C2CC[NH+](C3CC3)CC2)C2=CC=CC=C2O1	REAL300001518653	0	47	0.0	-70.43	370.25	9.10	-61.33
O=C([O-])C1=C(CNC(=O)C2CCC[N@@H+]2C2CC2)C2=CC=CC=C2O1	REAL300001518679	0	44	0.0	-58.80	358.33	8.75	-50.05
O=C([O-])C1=C(CNC(=O)C2CCC[N@H+]2C2CC2)C2=CC=CC=C2O1	REAL300001518679	1	44	0.0	-58.60	353.30	8.61	-49.99
CC1=[NH+]C=C2CCC(C(=O)NCC3=C(C(=O)[O-])OC4=CC=CC=C43)CN21	REAL300001518685	1	45	0.0	-62.38	368.45	8.99	-53.39
O=C([O-])C1=C(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C2=CC=CC=C2O1	REAL300001518686	0	53	0.0	-67.87	422.98	11.50	-56.37
C[N@@H+]1CCCCC1C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001518765	0	43	0.0	-55.99	342.78	7.83	-48.16
C[N@H+]1CCCCC1C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001518765	1	43	0.0	-55.98	342.82	7.83	-48.15
CC(C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)N1CC[NH+](C)CC1	REAL300001518766	1	48	0.0	-71.45	374.09	6.08	-65.37
C[N@@H+]1CCCC[C@H]1C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001518807	0	43	0.0	-62.06	342.80	7.83	-54.23
C[N@H+]1CCCC[C@H]1C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001518807	1	43	0.0	-64.10	333.46	7.67	-56.43
C[NH+]1CCC(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)CC1	REAL300001518891	0	43	0.0	-73.81	345.42	7.90	-65.91
O=C([O-])C1=C(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)C2=CC=CC=C2O1	REAL300001518920	0	38	0.0	-70.22	331.00	9.73	-60.49
C[NH+](C)CC1(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)CCCCC1	REAL300001518955	0	52	0.0	-77.13	385.49	9.90	-67.23
C[N@H+](CCC(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)C1CCCCC1	REAL300001518960	0	52	0.0	-66.50	399.25	9.84	-56.66
C[N@@H+](CCC(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)C1CCCCC1	REAL300001518960	1	52	0.0	-67.32	399.24	9.85	-57.47
C[N@@H+]1CCCC1C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001518976	0	40	0.0	-57.09	320.84	6.78	-50.31
C[N@H+]1CCCC1C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001518976	1	40	0.0	-64.72	320.84	6.78	-57.94
O=C([O-])C1=C(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C2=CC=CC=C2O1	REAL300001518981	1	50	0.0	-57.06	405.09	10.43	-46.63
O=C([O-])C1=C(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C2=CC=CC=C2O1	REAL300001518981	1	50	0.0	-57.18	405.05	10.42	-46.76
C[NH+]1CCC(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)CC1	REAL300001519032	0	43	0.0	-73.81	345.42	7.90	-65.91
O=C([O-])C1=C(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C2=CC=CC=C2O1	REAL300001519036	0	46	0.0	-78.26	390.08	8.86	-69.40
O=C([O-])C1=C(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)C2=CC=CC=C2O1	REAL300001519056	0	53	0.0	-58.76	398.75	10.04	-48.72
O=C([O-])C1=C(CNC(=O)C2CCCC[N@H+]2C2CCCC2)C2=CC=CC=C2O1	REAL300001519056	1	53	0.0	-59.37	393.50	10.18	-49.19
O=C([O-])C1=C(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C2=CC=CC=C2O1	REAL300001519057	0	54	0.0	-72.35	406.03	8.36	-63.99
CC1=[NH+]C=CN1CCCC(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001519092	1	44	0.0	-66.27	371.82	9.14	-57.13
O=C([O-])C1=C(CNC(=O)CCCC[NH+]2CCOCC2)C2=CC=CC=C2O1	REAL300001519093	1	50	0.0	-74.53	399.11	7.84	-66.69
CC[N@H+](CC1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C=C1)C(C)C	REAL300001519096	0	55	0.0	-74.64	427.53	11.35	-63.29
CC[N@@H+](CC1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C=C1)C(C)C	REAL300001519096	1	55	0.0	-78.13	419.13	11.09	-67.04
C[N@@H+]1CCC[C@@H]1C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001519099	0	40	0.0	-57.13	320.93	6.80	-50.33
C[N@H+]1CCC[C@@H]1C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001519099	1	40	0.0	-61.64	325.93	7.31	-54.33
C[NH+](C)C1(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)CC1	REAL300001519108	0	40	0.0	-68.47	329.37	7.61	-60.86
O=C([O-])C1=C(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C2=CC=CC=C2O1	REAL300001519154	0	50	0.0	-68.31	405.75	10.68	-57.63
O=C([O-])C1=C(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C2=CC=CC=C2O1	REAL300001519154	1	50	0.0	-66.28	405.83	10.74	-55.54
O=C([O-])C1=C(CNC(=O)C2CC[NH+](C3CCSC3)CC2)C2=CC=CC=C2O1	REAL300001519155	0	51	0.0	-77.62	404.65	10.13	-67.49
O=C([O-])C1=C(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C2=CC=CC=C2O1	REAL300001519179	0	54	0.0	-66.42	398.15	8.15	-58.27
CCC(C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)[NH+](CC)CC	REAL300001519183	0	48	0.0	-57.09	367.10	8.61	-48.48
CC(C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)[N@H+](C)CC1=CC=CC=C1	REAL300001519185	0	49	0.0	-59.63	395.75	10.23	-49.40
CC(C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)[N@@H+](C)CC1=CC=CC=C1	REAL300001519185	1	49	0.0	-59.64	395.80	10.21	-49.43
C[NH+](C)CC1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C=N1	REAL300001519218	0	45	0.0	-77.31	374.78	7.87	-69.44
CCC[NH+](CCC)CCCC(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001519224	0	54	0.0	-69.26	423.40	10.45	-58.81
CC[N@H+](C)C(C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)C1=CC=CC=C1	REAL300001519225	0	49	0.0	-53.45	393.99	10.35	-43.10
CC[N@@H+](C)C(C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)C1=CC=CC=C1	REAL300001519225	1	49	0.0	-55.32	388.36	10.23	-45.09
C[N@@H+]1CCOC(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C1	REAL300001519227	1	41	0.0	-52.48	331.13	6.54	-45.94
C[N@H+]1CCOC(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C1	REAL300001519227	1	41	0.0	-52.45	331.11	6.54	-45.91
CC[NH+](CC)C(C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)C1=CC=CC=C1	REAL300001519229	0	52	0.0	-52.60	401.04	10.41	-42.19
CC(C)C1=[NH+]C=CN1CC(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001519238	1	44	0.0	-59.09	366.49	8.97	-50.12
C[NH+](C)C(C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)C1=CC=C(Cl)C=C1	REAL300001519243	1	46	0.0	-57.68	392.22	10.25	-47.43
O=C([O-])C1=C(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C2=CC=CC=C2O1	REAL300001519256	0	50	0.0	-79.80	403.79	10.88	-68.92
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C[NH+](C)CC1(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)CC1	REAL300001519268	0	43	0.0	-73.24	352.63	8.01	-65.23
C[NH+](C)CCCCC(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001519277	0	45	0.0	-73.17	366.20	8.38	-64.79
CC(C)C(C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)[NH+](C)C	REAL300001519286	0	45	0.0	-57.70	350.46	8.31	-49.39
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CC1=C(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C=NN1C1=CC=[NH+]C=C1	REAL300001519301	1	44	0.0	-80.58	376.60	8.13	-72.45
O=C([O-])C1=C(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C2=CC=CC=C2O1	REAL300001519309	0	53	0.0	-79.81	420.54	11.59	-68.22
O=C([O-])C1=C(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C2=CC=CC=C2O1	REAL300001519323	1	46	0.0	-77.96	384.24	8.33	-69.63
C[NH+](C)CCC1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C=C1	REAL300001519324	0	49	0.0	-81.70	401.48	10.58	-71.12
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001519335	1	42	0.0	-58.29	350.14	7.30	-50.99
O=C([O-])C1=C(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C2=CC=CC=C2O1	REAL300001519337	1	51	0.0	-73.75	407.80	10.10	-63.65
O=C([O-])C1=C(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C2=CC=CC=C2O1	REAL300001519337	1	51	0.0	-65.06	414.98	10.26	-54.80
CCC[N@H+](C)CC(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001519346	0	42	0.0	-61.55	340.07	7.66	-53.89
CCC[N@@H+](C)CC(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001519346	1	42	0.0	-61.68	340.06	7.65	-54.03
C[N@H+](CC(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)C1CCC1	REAL300001519369	0	43	0.0	-58.95	347.06	8.22	-50.73
C[N@@H+](CC(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)C1CCC1	REAL300001519369	1	43	0.0	-59.22	346.95	8.22	-51.00
CC(C(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)[NH+]1CCSCC1	REAL300001519394	1	44	0.0	-60.22	356.21	8.08	-52.14
C[N@H+](CC(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)CC(C)(C)C	REAL300001519400	0	48	0.0	-60.78	368.67	8.65	-52.13
C[N@@H+](CC(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21)CC(C)(C)C	REAL300001519400	1	48	0.0	-61.21	370.46	8.73	-52.48
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001519402	0	49	0.0	-64.83	399.97	10.67	-54.16
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001519402	1	49	0.0	-64.87	399.97	10.68	-54.19
COCCOCC[N@H+](C)CCC(=O)NCC1=C(C(=O)[O-])OC2=CC=CC=C21	REAL300001519403	0	53	0.0	-67.97	428.97	6.87	-61.10
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CC(C)C[N@@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C1	REAL300001521318	0	52	0.0	-66.69	402.29	9.95	-56.74
CC(C)C[N@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C1	REAL300001521318	1	52	0.0	-66.69	402.29	9.95	-56.74
CC[N@@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C1	REAL300001521319	0	46	0.0	-66.93	363.06	8.52	-58.41
CC[N@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C1	REAL300001521319	1	46	0.0	-66.93	363.06	8.52	-58.41
C[N@@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C1	REAL300001521324	0	43	0.0	-69.28	345.40	7.85	-61.43
C[N@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C1	REAL300001521324	1	43	0.0	-69.28	345.40	7.85	-61.43
CN(C)CC1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)O1	REAL300001521326	0	43	0.0	-77.44	365.36	8.04	-69.40
C[NH+](C)CC1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)O1	REAL300001521326	1	43	0.0	-77.44	365.36	8.04	-69.40
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C1	REAL300001521332	0	52	0.0	-74.76	390.82	9.36	-65.40
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=C(C(=O)[O-])OC3=CC=CC=C32)C1	REAL300001521332	1	52	0.0	-74.76	390.82	9.36	-65.40
O=C([O-])C1=C(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)C2=CC=CC=C2O1	REAL300001521335	0	45	0.0	-62.49	358.89	9.56	-52.93
C[C@H](NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001523025	1	40	0.0	-52.50	329.03	7.54	-44.96
C[C@H](NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001523025	1	40	0.0	-50.13	329.10	7.51	-42.62
CC1=NC(C[NH+]2CCC(C(=O)N[C@@H](C)C(=O)[O-])CC2)=CS1	REAL300001523079	1	42	0.0	-63.94	342.71	5.80	-58.14
C[C@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001523100	0	46	0.0	-67.58	368.66	7.61	-59.97
C[C@H](NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001523105	0	46	0.0	-70.81	369.46	9.96	-60.85
C[C@H](NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001523105	1	46	0.0	-71.13	369.36	9.96	-61.17
C[C@H](NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001523106	0	46	0.0	-58.52	348.17	8.54	-49.98
C[C@H](NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001523124	0	43	0.0	-60.41	350.41	8.41	-52.00
C[C@H](NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001523124	1	43	0.0	-59.76	351.16	8.41	-51.35
C[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001523143	1	43	0.0	-51.13	339.45	8.12	-43.01
C[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001523143	1	43	0.0	-53.96	339.62	8.08	-45.88
C[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300001523173	0	46	0.0	-70.07	371.88	7.72	-62.35
C[C@H](NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300001523209	1	45	0.0	-62.53	350.96	6.04	-56.49
C[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001523213	0	46	0.0	-63.08	358.25	8.92	-54.16
C[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001523213	1	46	0.0	-62.33	358.26	8.92	-53.41
C[C@H](NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300001523237	1	44	0.0	-48.64	343.17	4.82	-43.82
CCN1CCC([NH+]2CCC(C(=O)N[C@@H](C)C(=O)[O-])CC2)CC1	REAL300001523245	0	51	0.0	-61.16	368.18	5.70	-55.46
C[C@H](NC(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001523246	0	50	0.0	-65.37	414.22	11.33	-54.04
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CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300001523247	0	53	0.0	-63.16	418.57	11.46	-51.70
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300001523247	1	53	0.0	-62.11	417.11	11.60	-50.51
C[C@H](NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300001523251	1	47	0.0	-72.60	367.41	7.27	-65.33
C[C@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001523258	1	44	0.0	-68.41	342.14	7.35	-61.06
C[C@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001523258	1	44	0.0	-67.24	348.77	7.42	-59.82
C[C@H](NC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001523269	0	53	0.0	-65.30	408.91	11.09	-54.21
C[C@H](NC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001523269	1	53	0.0	-66.77	409.81	10.96	-55.81
C[C@H](NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300001523271	0	50	0.0	-57.66	371.43	9.44	-48.22
C[C@H](NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300001523271	1	50	0.0	-59.57	378.62	9.71	-49.86
CC(C(=O)N[C@@H](C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001523276	0	49	0.0	-51.16	372.84	9.34	-41.82
C[C@H](NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001523288	0	48	0.0	-65.39	368.73	7.03	-58.36
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@@H](C)C(=O)[O-])CC2)=C1	REAL300001523298	0	48	0.0	-62.36	368.29	6.83	-55.53
C[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001523299	0	45	0.0	-62.29	347.39	6.20	-56.09
C[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001523326	0	43	0.0	-62.45	341.97	8.15	-54.30
C[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001523326	1	43	0.0	-57.93	335.89	8.33	-49.60
C[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001523327	0	44	0.0	-61.67	344.96	5.64	-56.03
C[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001523345	0	48	0.0	-60.97	366.07	7.24	-53.73
C[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001523345	1	48	0.0	-71.17	368.68	6.82	-64.35
CC(C)[N@@H+]1CCC(C(=O)N[C@@H](C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001523347	0	49	0.0	-63.30	372.96	6.87	-56.43
CC(C)[N@H+]1CCC(C(=O)N[C@@H](C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001523347	1	49	0.0	-64.91	365.75	6.36	-58.55
C[C@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300001523350	0	45	0.0	-69.64	351.21	5.80	-63.84
C[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300001523351	0	45	0.0	-68.95	351.36	5.80	-63.15
C[C@H](NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300001523351	1	45	0.0	-70.47	350.66	5.69	-64.78
CC[NH+](CC)C(C(=O)N[C@@H](C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300001523400	0	45	0.0	-54.22	353.66	8.13	-46.09
C[C@H](NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001523420	1	41	0.0	-73.08	327.76	6.75	-66.33
C[C@H](NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001523420	1	41	0.0	-73.13	327.58	6.79	-66.34
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@@H](C)C(=O)[O-])C=C2)CC1	REAL300001523438	0	48	0.0	-70.05	360.59	6.76	-63.29
C[C@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001523459	0	44	0.0	-70.58	357.09	7.33	-63.25
C[C@H](NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001523474	0	42	0.0	-58.76	328.65	6.07	-52.69
C[C@H](NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001523474	1	42	0.0	-55.25	327.46	6.14	-49.11
C[C@H](NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001523540	0	44	0.0	-60.49	343.33	8.40	-52.09
C[C@H](NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001523540	1	44	0.0	-61.80	344.59	8.33	-53.47
C[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001523553	1	43	0.0	-56.66	330.25	7.92	-48.74
C[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001523553	1	43	0.0	-55.28	339.65	8.08	-47.20
C[C@H](NC(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001523725	0	51	0.0	-66.55	400.15	8.02	-58.53
C[C@H](NC(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001523725	1	51	0.0	-67.93	400.84	7.97	-59.96
C[C@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001523739	0	46	0.0	-63.78	354.18	8.84	-54.94
C[C@H](NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001523740	1	44	0.0	-71.83	340.10	6.53	-65.30
C[C@H](NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001523740	1	44	0.0	-71.87	339.99	6.56	-65.31
C[C@H](NC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001523760	0	52	0.0	-55.38	375.57	9.25	-46.13
C[C@H](NC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001523760	1	52	0.0	-65.94	390.56	9.34	-56.60
O=C([O-])C1=C(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C2=CC=CC=C2S1	REAL300001525067	0	50	0.0	-52.42	404.28	10.97	-41.45
O=C([O-])C1=C(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C2=CC=CC=C2S1	REAL300001525067	1	50	0.0	-59.34	410.33	11.51	-47.83
O=C([O-])C1=C(CNC(=O)C2CC[NH+](C3CC3)CC2)C2=CC=CC=C2S1	REAL300001525797	0	47	0.0	-65.00	380.31	9.92	-55.08
O=C([O-])C1=C(CNC(=O)C2CCC[N@@H+]2C2CC2)C2=CC=CC=C2S1	REAL300001525821	0	44	0.0	-56.99	363.94	9.35	-47.64
O=C([O-])C1=C(CNC(=O)C2CCC[N@H+]2C2CC2)C2=CC=CC=C2S1	REAL300001525821	1	44	0.0	-57.23	358.91	9.22	-48.01
CC1=[NH+]C=C2CCC(C(=O)NCC3=C(C(=O)[O-])SC4=CC=CC=C43)CN21	REAL300001525827	1	45	0.0	-61.14	374.04	9.60	-51.54
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CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300001526930	1	47	0.0	-60.43	391.85	10.01	-50.42
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CC[N@H+](CC(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21)C1CC1	REAL300001526938	0	43	0.0	-55.28	355.63	8.90	-46.38
CC[N@@H+](CC(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21)C1CC1	REAL300001526938	1	43	0.0	-56.67	355.85	8.92	-47.75
CC(C(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21)[NH+]1CCCCCC1	REAL300001526962	0	49	0.0	-57.55	377.53	9.64	-47.91
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C[N@H+]1CCC[C@H]1C(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300001526965	1	40	0.0	-54.50	326.43	7.39	-47.11
CC(C)(C)[NH2+]CC(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300001527035	0	42	0.0	-58.01	345.39	6.59	-51.42
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)O1	REAL300001527037	0	49	0.0	-71.53	402.29	9.74	-61.79
O=C([O-])C1=C(CNC(=O)CCCC[NH+]2CCCC2)C2=CC=CC=C2S1	REAL300001527038	0	49	0.0	-70.25	397.77	10.17	-60.08
C[N@H+](CC(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21)CC1=CC=CC=C1	REAL300001527040	1	46	0.0	-61.81	383.10	10.45	-51.36
C[N@@H+](CC(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21)CC1=CC=CC=C1	REAL300001527040	1	46	0.0	-62.35	383.09	10.45	-51.90
CC(C)[C@@H](C(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21)[NH+](C)C	REAL300001527050	0	45	0.0	-63.66	355.36	9.12	-54.54
O=C([O-])C1=C(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C2=CC=CC=C2S1	REAL300001527069	1	41	0.0	-77.46	365.74	8.29	-69.17
C[NH+](C)CC1=CC(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)=NO1	REAL300001527093	1	42	0.0	-78.29	364.54	7.82	-70.47
CC(C)[N@@H+]1CCCC1C(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300001527106	0	46	0.0	-60.59	359.24	9.13	-51.46
CC(C)[N@H+]1CCCC1C(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300001527106	1	46	0.0	-57.46	365.25	8.96	-48.50
C[NH+]1CCC(OCC(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)CC1	REAL300001527125	0	47	0.0	-75.06	386.39	8.95	-66.11
O=C([O-])C1=C(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C2=CC=CC=C2S1	REAL300001527129	0	50	0.0	-72.11	411.52	10.43	-61.68
CCC[N@@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300001527290	0	49	0.0	-63.78	390.17	9.87	-53.91
CCC[N@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300001527290	1	49	0.0	-63.92	390.17	9.87	-54.05
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300001527318	0	49	0.0	-56.57	391.35	10.02	-46.55
CC(C)C[N@H+]1CCCC1C(=O)NCC1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300001527318	1	49	0.0	-54.95	379.62	9.15	-45.80
O=C([O-])C1=C(CNC(=O)C[NH+]2CCC(CO)CC2)C2=CC=CC=C2S1	REAL300001527319	1	47	0.0	-60.29	380.23	6.04	-54.25
CC(C)[N@@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300001527517	0	49	0.0	-59.29	379.09	9.85	-49.44
CC(C)[N@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300001527517	1	49	0.0	-63.82	385.33	9.64	-54.18
C[N@@H+]1CC(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C(C(F)(F)F)C1	REAL300001527518	0	43	0.0	-78.76	355.92	8.96	-69.80
C[N@H+]1CC(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C(C(F)(F)F)C1	REAL300001527518	1	43	0.0	-67.86	363.17	8.57	-59.29
CC1=C(C)[NH+]=C(CCC(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)N1	REAL300001527542	1	44	0.0	-60.46	376.68	8.14	-52.32
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)=C1	REAL300001527966	0	49	0.0	-76.58	407.09	11.17	-65.41
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C=C1	REAL300001527972	0	50	0.0	-79.98	414.38	10.14	-69.84
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300001528099	0	43	0.0	-71.25	355.99	8.57	-62.68
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)CC1	REAL300001528103	0	49	0.0	-54.84	378.76	9.53	-45.31
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300001528163	0	52	0.0	-64.41	407.63	10.56	-53.85
CC(C)C[N@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300001528163	1	52	0.0	-64.41	407.63	10.56	-53.85
CC[N@@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300001528164	0	46	0.0	-63.35	368.71	9.13	-54.22
CC[N@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300001528164	1	46	0.0	-63.35	368.71	9.13	-54.22
C[N@@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300001528169	0	43	0.0	-65.53	350.99	8.46	-57.07
C[N@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300001528169	1	43	0.0	-65.53	350.99	8.46	-57.07
CN(C)CC1=CC=C(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)O1	REAL300001528171	0	43	0.0	-73.15	370.97	8.66	-64.49
C[NH+](C)CC1=CC=C(C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)O1	REAL300001528171	1	43	0.0	-73.15	370.97	8.66	-64.49
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300001528177	0	52	0.0	-72.43	396.44	9.98	-62.45
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=C(C(=O)[O-])SC3=CC=CC=C32)C1	REAL300001528177	1	52	0.0	-72.43	396.44	9.98	-62.45
O=C([O-])C1=C(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)C2=CC=CC=C2S1	REAL300001528180	0	45	0.0	-61.20	363.75	10.14	-51.06
CC1=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300001529507	0	50	0.0	-86.11	385.52	11.24	-74.87
CC1=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300001530280	0	47	0.0	-77.00	366.52	10.26	-66.74
CC1=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300001530280	1	47	0.0	-75.65	362.70	10.16	-65.49
CC1=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=CC=C1C(=O)[O-]	REAL300001531188	0	44	0.0	-79.03	338.28	9.08	-69.95
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C(=O)[O-])C(C)=C3)CN21	REAL300001531213	1	42	0.0	-71.19	332.80	8.76	-62.43
CC1=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300001531214	0	50	0.0	-74.21	389.57	11.20	-63.01
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=C(C(=O)[O-])C(C)=C3)CC2)=CS1	REAL300001531286	1	49	0.0	-84.21	393.48	9.00	-75.21
CC1=CC(NC(=O)C(C)N2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300001531287	1	45	0.0	-77.52	338.36	5.87	-71.65
CC1=CC(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300001531370	0	53	0.0	-80.71	419.68	10.76	-69.95
CC1=CC(NC(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300001531384	0	53	0.0	-83.90	419.53	13.09	-70.81
CC1=CC(NC(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)=CC=C1C(=O)[O-]	REAL300001531384	1	53	0.0	-83.15	419.43	13.11	-70.04
CC1=CC(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300001531385	0	53	0.0	-75.55	398.44	11.65	-63.90
CC1=CC(NC(=O)C2(C[NH+](C)C)CCCCC2)=CC=C1C(=O)[O-]	REAL300001531469	0	49	0.0	-83.34	349.80	9.59	-73.75
CC1=CC(NC(=O)CC[N@@H+](C)C2CCCCC2)=CC=C1C(=O)[O-]	REAL300001531472	0	49	0.0	-80.56	363.76	9.61	-70.95
CC1=CC(NC(=O)CC[N@H+](C)C2CCCCC2)=CC=C1C(=O)[O-]	REAL300001531472	1	49	0.0	-80.55	363.77	9.62	-70.93
CC1=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300001531497	1	50	0.0	-80.00	390.26	11.27	-68.73
CC1=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300001531497	1	50	0.0	-79.90	389.87	11.25	-68.65
CC1=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300001531498	1	47	0.0	-84.79	377.58	10.76	-74.03
CC1=CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300001531498	1	47	0.0	-81.50	375.02	10.72	-70.78
CC1=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=CC=C1C(=O)[O-]	REAL300001531559	0	43	0.0	-83.91	353.54	8.61	-75.30
CC1=CC(NC(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)=CC=C1C(=O)[O-]	REAL300001531564	0	53	0.0	-84.71	417.95	10.79	-73.92
CC1=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300001531589	0	50	0.0	-73.22	358.91	9.98	-63.24
CC1=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300001531589	1	50	0.0	-70.82	361.88	9.88	-60.94
CC1=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=CC=C1C(=O)[O-]	REAL300001531590	0	51	0.0	-83.27	376.63	8.29	-74.98
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300001531620	1	41	0.0	-74.93	336.33	8.93	-66.00
CC1=CC(NC(=O)CCCC[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300001531621	1	47	0.0	-81.60	363.62	7.61	-73.99
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C=C1)C(C)C	REAL300001531623	0	52	0.0	-81.50	388.39	10.97	-70.53
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C=C1)C(C)C	REAL300001531623	1	52	0.0	-81.44	381.90	10.68	-70.76
CC1=CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300001531648	0	47	0.0	-81.01	369.90	10.50	-70.51
CC1=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300001531648	1	47	0.0	-80.09	369.73	10.52	-69.57
CC1=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=CC=C1C(=O)[O-]	REAL300001531649	0	48	0.0	-87.58	368.74	9.90	-77.68
CC1=CC(NC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300001531677	1	52	0.0	-74.66	397.89	9.31	-65.35
CC1=CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=CC=C1C(=O)[O-]	REAL300001531678	0	51	0.0	-82.85	358.16	7.68	-75.17
CC1=CC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300001531681	0	46	0.0	-78.55	360.08	10.01	-68.54
CC1=CC(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300001531681	1	46	0.0	-78.26	358.98	10.06	-68.20
CC1=CC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300001531692	0	53	0.0	-84.80	412.14	12.18	-72.62
CC1=CC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300001531692	1	53	0.0	-76.65	406.04	12.37	-64.28
CC1=CC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)=CC=C1C(=O)[O-]	REAL300001531722	0	42	0.0	-82.36	338.59	8.04	-74.32
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300001531733	0	51	0.0	-79.59	387.41	10.21	-69.38
CC1=CC(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)=CC=C1C(=O)[O-]	REAL300001531734	1	51	0.0	-75.05	393.07	7.96	-67.09
CC[N@H+](C)C(C(=O)NC1=CC=C(C(=O)[O-])C(C)=C1)C1=CC=CC=C1	REAL300001531735	1	46	0.0	-74.65	352.49	9.93	-64.72
CC[N@@H+](C)C(C(=O)NC1=CC=C(C(=O)[O-])C(C)=C1)C1=CC=CC=C1	REAL300001531735	1	46	0.0	-75.47	353.26	9.97	-65.50
CC[NH+](CC)C(C(=O)NC1=CC=C(C(=O)[O-])C(C)=C1)C1=CC=CC=C1	REAL300001531740	0	49	0.0	-75.13	364.16	10.21	-64.92
CC1=CC(NC(=O)CN2C=C[NH+]=C2C(C)C)=CC=C1C(=O)[O-]	REAL300001531746	1	41	0.0	-72.21	330.34	8.76	-63.45
CC1=CC(NC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)=CC=C1C(=O)[O-]	REAL300001531748	1	43	0.0	-77.79	356.53	10.04	-67.75
CC1=CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=CC=C1C(=O)[O-]	REAL300001531762	0	47	0.0	-84.25	367.61	10.66	-73.59
CC1=CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=CC=C1C(=O)[O-]	REAL300001531769	0	50	0.0	-79.62	388.04	11.46	-68.16
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=C(C(=O)[O-])C(C)=C3)CC2)CC1	REAL300001531776	0	58	0.0	-81.24	414.24	8.61	-72.63
CC1=CC(NC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)=CC=C1C(=O)[O-]	REAL300001531783	1	54	0.0	-87.63	417.68	10.39	-77.24
CC1=CC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300001531793	1	51	0.0	-90.44	392.69	10.45	-79.99
CC1=CC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300001531793	1	51	0.0	-90.36	392.86	10.45	-79.91
CC1=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300001531807	0	50	0.0	-75.73	383.39	11.20	-64.53
CC1=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300001531807	1	50	0.0	-74.57	384.06	11.15	-63.42
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C=NN1C1=CC=[NH+]C=C1	REAL300001531809	1	41	0.0	-84.83	340.75	7.94	-76.89
CC1=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=CC=C1C(=O)[O-]	REAL300001531817	0	50	0.0	-84.59	384.36	11.37	-73.22
CC1=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=CC=C1C(=O)[O-]	REAL300001531829	1	43	0.0	-82.06	348.64	8.12	-73.94
CC1=CC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300001531830	0	46	0.0	-85.92	365.29	10.36	-75.56
CC1=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300001531841	1	48	0.0	-88.40	375.83	9.89	-78.51
CC1=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300001531841	1	48	0.0	-83.71	372.03	9.78	-73.93
CC1=CC(NC(=O)C2=CC=CC=C2OCC[N@H+]2CCCCC2C)=CC=C1C(=O)[O-]	REAL300001531848	0	57	0.0	-69.23	428.87	12.74	-56.49
CC1=CC(NC(=O)C2=CC=CC=C2OCC[N@@H+]2CCCCC2C)=CC=C1C(=O)[O-]	REAL300001531848	1	57	0.0	-67.83	421.93	12.46	-55.37
CC1=CC(NC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300001531855	0	56	0.0	-75.86	422.51	12.56	-63.30
CC1=CC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300001531898	0	46	0.0	-82.18	364.38	10.47	-71.71
CC1=CC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300001531898	1	46	0.0	-81.91	363.79	10.46	-71.45
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300001531899	0	50	0.0	-79.56	392.94	6.65	-72.91
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300001531899	1	50	0.0	-80.97	393.54	6.64	-74.33
CC1=CC(NC(=O)CC2(O)CCC[N@@H+](C)C2)=CC=C1C(=O)[O-]	REAL300001531902	0	44	0.0	-73.50	325.75	6.09	-67.41
CC1=CC(NC(=O)CC2(O)CCC[N@H+](C)C2)=CC=C1C(=O)[O-]	REAL300001531902	1	44	0.0	-73.69	339.13	6.32	-67.37
CC1=CC(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300001531910	0	55	0.0	-84.08	419.65	10.17	-73.91
CC1=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)=CC=C1C(=O)[O-]	REAL300001531911	1	49	0.0	-80.87	369.05	9.26	-71.61
CC1=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)=CC=C1C(=O)[O-]	REAL300001531911	1	49	0.0	-81.52	369.37	9.27	-72.25
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300001531914	0	48	0.0	-79.43	368.37	9.79	-69.64
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300001531914	1	48	0.0	-79.67	368.97	9.78	-69.89
CC1=CC(NC(=O)C[N@@H+](C)C2CCSC2)=CC=C1C(=O)[O-]	REAL300001531941	1	41	0.0	-83.61	324.68	8.26	-75.35
CC1=CC(NC(=O)C[N@H+](C)C2CCSC2)=CC=C1C(=O)[O-]	REAL300001531941	1	41	0.0	-82.89	324.51	8.27	-74.62
CC1=CC(NC(=O)CCN2CC[NH+](C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300001531952	0	51	0.0	-76.61	380.01	7.20	-69.41
CC1=CC(NC(=O)CC[NH+]2CCN(C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300001531952	1	51	0.0	-80.29	377.02	7.00	-73.29
CC1=CC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300001531953	0	54	0.0	-74.98	402.04	8.00	-66.98
CC1=CC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300001531953	1	54	0.0	-79.76	398.52	7.79	-71.97
CC1=CC(NC(=O)C2CCCC3CCC[N@@H+]32)=CC=C1C(=O)[O-]	REAL300001531954	0	44	0.0	-71.99	333.43	8.94	-63.05
CC1=CC(NC(=O)C2CCCC3CCC[N@H+]32)=CC=C1C(=O)[O-]	REAL300001531954	1	44	0.0	-71.37	333.60	8.96	-62.41
CC1=CC(NC(=O)C2=CN(CC[NH+](C)C)N=C2)=CC=C1C(=O)[O-]	REAL300001531956	0	43	0.0	-83.95	348.98	7.53	-76.42
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=CC=C(C(=O)[O-])C(C)=C3)CC2)=C1	REAL300001531962	0	55	0.0	-84.72	419.55	10.03	-74.69
CC1=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300001531964	0	52	0.0	-84.89	398.15	9.36	-75.53
CC1=CC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=CC=C1C(=O)[O-]	REAL300001531968	0	49	0.0	-81.79	374.87	9.62	-72.17
CC1=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=CC=C1C(=O)[O-]	REAL300001531968	1	49	0.0	-80.04	379.11	9.66	-70.38
CC1=CC(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)=CC=C1C(=O)[O-]	REAL300001531973	1	47	0.0	-79.01	365.29	10.63	-68.38
CC1=CC(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)=CC=C1C(=O)[O-]	REAL300001531973	1	47	0.0	-78.25	360.07	10.59	-67.66
CC1=CC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300001532000	0	50	0.0	-85.05	393.46	11.33	-73.72
CC1=CC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300001532000	1	50	0.0	-86.54	394.28	11.34	-75.20
CC1=CC(NC(=O)C2=NN(CC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300001532013	0	43	0.0	-89.09	349.92	7.54	-81.55
CC1=CC(NC(=O)C2=CC=NN2CC[NH+](C)C)=CC=C1C(=O)[O-]	REAL300001532014	0	43	0.0	-82.31	337.67	7.94	-74.37
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300001532020	1	44	0.0	-72.60	351.14	9.24	-63.36
CC1=CC(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)=CC=C1C(=O)[O-]	REAL300001532023	1	44	0.0	-82.66	350.48	7.09	-75.57
CC1=CC(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)=CC=C1C(=O)[O-]	REAL300001532023	1	44	0.0	-82.83	350.18	6.72	-76.11
CC1=CC(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)=CC=C1C(=O)[O-]	REAL300001532034	0	50	0.0	-82.06	386.34	11.47	-70.59
CC1=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)=CC=C1C(=O)[O-]	REAL300001532034	1	50	0.0	-79.48	390.66	11.58	-67.90
CC1=CC(NC(=O)C(C)C[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300001532039	0	44	0.0	-79.63	336.45	6.74	-72.89
CC1=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)=CC=C1C(=O)[O-]	REAL300001532040	0	51	0.0	-84.58	395.88	8.78	-75.80
CC1=CC(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)=CC=C1C(=O)[O-]	REAL300001532088	1	50	0.0	-89.47	381.98	9.45	-80.02
CC1=CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=CC=C1C(=O)[O-]	REAL300001532089	0	50	0.0	-77.72	369.37	9.90	-67.82
CC1=CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)=CC=C1C(=O)[O-]	REAL300001532089	1	50	0.0	-78.15	370.94	9.94	-68.21
CC1=CC(NC(=O)C23CCC[NH+](CCC2)C3)=CC=C1C(=O)[O-]	REAL300001532108	0	44	0.0	-78.29	322.71	8.21	-70.08
CC1=CC(NC(=O)C2CCC3CCCC[N@@H+]32)=CC=C1C(=O)[O-]	REAL300001532112	0	44	0.0	-74.58	325.77	8.53	-66.05
CC1=CC(NC(=O)C2CCC3CCCC[N@H+]32)=CC=C1C(=O)[O-]	REAL300001532112	1	44	0.0	-74.17	336.81	9.00	-65.17
CC1=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)=CC=C1C(=O)[O-]	REAL300001532114	0	55	0.0	-84.73	421.09	10.53	-74.20
CC1=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)=CC=C1C(=O)[O-]	REAL300001532114	1	55	0.0	-87.65	422.68	10.07	-77.58
CC1=CC(NC(=O)C(C)(C)C[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300001532121	0	47	0.0	-76.25	345.19	7.10	-69.15
CC1=CC(NC(=O)C2CC[N@@H+](C(C)C)CC2C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300001532126	0	56	0.0	-85.52	410.37	9.37	-76.15
CC1=CC(NC(=O)C2CC[N@H+](C(C)C)CC2C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300001532126	1	56	0.0	-86.99	416.70	9.49	-77.50
CC1=CC(NC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300001532127	0	50	0.0	-87.10	371.56	8.18	-78.92
CC1=CC(NC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300001532127	1	50	0.0	-89.18	388.47	8.83	-80.35
CC1=CC(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)=CC=C1C(=O)[O-]	REAL300001532132	0	52	0.0	-75.72	401.49	8.93	-66.79
CC1=CC(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300001532133	0	52	0.0	-80.68	401.42	8.94	-71.74
CC1=CC(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300001532133	1	52	0.0	-85.53	400.89	8.81	-76.72
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300001532134	0	53	0.0	-80.89	403.92	10.37	-70.52
CC1=CC(NC(=O)C2CC[NH+](C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300001532141	0	46	0.0	-79.01	339.70	8.63	-70.38
CC1=CC(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300001532249	0	54	0.0	-87.37	416.05	8.67	-78.70
CC1=CC(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)=CC=C1C(=O)[O-]	REAL300001532253	0	43	0.0	-80.61	346.47	9.61	-71.00
CC1=CC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300001532254	0	50	0.0	-76.24	379.83	11.42	-64.82
CC1=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300001532254	1	50	0.0	-77.82	386.24	11.20	-66.62
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)CC1	REAL300001532316	0	42	0.0	-82.57	333.68	8.82	-73.75
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300001532318	0	46	0.0	-75.17	337.15	8.85	-66.32
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)[O-])C(C)=C1	REAL300001532318	1	46	0.0	-73.06	346.28	9.02	-64.04
CC1=CC(NC(=O)C2=CC=CC=C2C[NH+](C)C)=CC=C1C(=O)[O-]	REAL300001532320	0	43	0.0	-65.31	336.14	9.74	-55.57
CC[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)CC1	REAL300001532322	0	48	0.0	-79.02	362.10	6.54	-72.48
CCN1CC[NH+](CCC(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)CC1	REAL300001532322	1	48	0.0	-80.36	363.47	6.64	-73.72
CC1=CC(NC(=O)C(C(C)C)[NH+]2CCCCC2)=CC=C1C(=O)[O-]	REAL300001532324	0	49	0.0	-70.94	354.11	9.42	-61.52
CC1=CC(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)=CC=C1C(=O)[O-]	REAL300001532325	1	43	0.0	-74.03	340.05	9.51	-64.52
CC1=CC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300001532329	0	48	0.0	-76.31	378.43	7.49	-68.82
CC1=CC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300001532329	1	48	0.0	-77.72	378.44	7.49	-70.23
CC1=CC(NC(=O)CCN2C=C[NH+]=C2C(C)C)=CC=C1C(=O)[O-]	REAL300001532335	1	44	0.0	-72.00	350.75	9.18	-62.82
CC1=CC(NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)=CC=C1C(=O)[O-]	REAL300001532336	0	46	0.0	-67.92	363.89	9.85	-58.07
CC1=CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300001532340	0	47	0.0	-77.47	341.43	9.12	-68.35
CC1=CC(NC(=O)C2CCC[N@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300001532340	1	47	0.0	-79.03	346.80	9.35	-69.68
CC1=CC(NC(=O)C(C)[NH+]2CCCCCC2)=CC=C1C(=O)[O-]	REAL300001532368	0	46	0.0	-74.30	332.33	8.70	-65.60
CC1=CC(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)=CC=C1C(=O)[O-]	REAL300001532399	1	48	0.0	-83.81	378.19	9.94	-73.87
CC1=CC(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)=CC=C1C(=O)[O-]	REAL300001532399	1	48	0.0	-82.96	378.30	9.92	-73.04
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)O1	REAL300001532453	0	46	0.0	-80.15	364.53	9.21	-70.94
CC1=CC(NC(=O)CCCC[NH+]2CCCC2)=CC=C1C(=O)[O-]	REAL300001532454	0	46	0.0	-78.20	356.68	9.34	-68.86
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(C(=O)[O-])C(C)=C3)CC2)[NH+]=C1	REAL300001532455	1	49	0.0	-76.11	379.16	9.09	-67.02
CC1=CC(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300001532456	1	43	0.0	-82.92	341.31	9.62	-73.30
CC1=CC(NC(=O)C[N@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300001532456	1	43	0.0	-83.25	341.91	9.61	-73.64
CC1=CC(NC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300001532459	0	55	0.0	-83.19	410.82	9.87	-73.32
CC1=CC(NC(=O)C2=NOC(C[NH+](C)C)=C2)=CC=C1C(=O)[O-]	REAL300001532501	1	39	0.0	-83.38	323.30	7.00	-76.38
CC1=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)=CC=C1C(=O)[O-]	REAL300001532507	0	50	0.0	-86.45	389.55	11.07	-75.38
CC1=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)=CC=C1C(=O)[O-]	REAL300001532507	1	50	0.0	-82.22	385.78	11.10	-71.12
CC1=CC(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300001532526	0	51	0.0	-83.76	407.51	10.50	-73.26
CC1=CC(NC(=O)COC2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300001532542	0	44	0.0	-84.61	345.09	8.04	-76.57
CC1=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=CC=C1C(=O)[O-]	REAL300001532546	0	47	0.0	-83.10	370.29	9.62	-73.48
CC1=CC(NC(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300001532585	0	49	0.0	-83.91	382.31	9.30	-74.61
CC1=CC(NC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300001532585	1	49	0.0	-79.30	381.79	9.38	-69.92
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C1	REAL300001532725	0	46	0.0	-73.30	346.90	9.35	-63.95
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)C1	REAL300001532725	1	46	0.0	-77.05	348.65	9.05	-68.00
CC1=CC(NC(=O)C2CCC[N@H+]2CC(C)C)=CC=C1C(=O)[O-]	REAL300001532756	0	46	0.0	-76.91	347.62	8.77	-68.14
CC1=CC(NC(=O)C2CCC[N@@H+]2CC(C)C)=CC=C1C(=O)[O-]	REAL300001532756	1	46	0.0	-74.54	349.31	9.23	-65.31
CC1=CC(NC(=O)C[NH+]2CCC(CO)CC2)=CC=C1C(=O)[O-]	REAL300001532759	1	44	0.0	-79.71	339.14	5.21	-74.50
CC1=CC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=CC=C1C(=O)[O-]	REAL300001532851	0	51	0.0	-84.73	393.49	11.48	-73.25
CC1=CC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=CC=C1C(=O)[O-]	REAL300001532851	1	51	0.0	-85.26	394.41	11.53	-73.73
CC1=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300001532888	1	50	0.0	-81.81	389.87	11.25	-70.56
CC1=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300001532888	1	50	0.0	-81.87	393.30	11.37	-70.50
CC1=CC(NC(=O)C2CCC[N@@H+](C(C)C)C2)=CC=C1C(=O)[O-]	REAL300001532973	0	46	0.0	-72.45	342.04	9.12	-63.33
CC1=CC(NC(=O)C2CCC[N@H+](C(C)C)C2)=CC=C1C(=O)[O-]	REAL300001532973	1	46	0.0	-76.82	348.13	8.91	-67.91
CC1=CC(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300001532974	0	40	0.0	-85.97	328.59	7.76	-78.21
CC1=CC(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300001532974	1	40	0.0	-83.82	321.20	7.91	-75.91
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C(=O)[O-])C(C)=C2)N1	REAL300001533000	1	41	0.0	-74.09	335.37	7.31	-66.78
CC1=CC(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)=CC=C1C(=O)[O-]	REAL300001533449	0	46	0.0	-80.51	365.31	10.34	-70.17
CC1=CC(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300001533455	0	47	0.0	-82.76	372.54	9.31	-73.45
CC1=CC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300001533544	0	53	0.0	-76.74	405.07	11.96	-64.78
CC1=CC(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)=CC=C1C(=O)[O-]	REAL300001533546	1	51	0.0	-88.44	393.64	9.78	-78.66
CC1=CC(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)=CC=C1C(=O)[O-]	REAL300001533546	1	51	0.0	-90.02	394.73	9.78	-80.24
CC1=CC(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=CC=C1C(=O)[O-]	REAL300001533584	0	46	0.0	-72.80	336.90	8.70	-64.10
CC1=CC(NC(=O)C2CCC[N@@H+](CC(C)C)C2)=CC=C1C(=O)[O-]	REAL300001533646	0	49	0.0	-77.63	366.31	9.73	-67.90
CC1=CC(NC(=O)C2CCC[N@H+](CC(C)C)C2)=CC=C1C(=O)[O-]	REAL300001533646	1	49	0.0	-77.63	366.31	9.73	-67.90
CC1=CC(NC(=O)C2=CC=C(CN(C)C)O2)=CC=C1C(=O)[O-]	REAL300001533651	0	40	0.0	-83.34	329.77	7.83	-75.51
CC1=CC(NC(=O)C2=CC=C(C[NH+](C)C)O2)=CC=C1C(=O)[O-]	REAL300001533651	1	40	0.0	-83.34	329.77	7.83	-75.51
CC1=CC(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)=CC=C1C(=O)[O-]	REAL300001533656	0	49	0.0	-81.46	359.69	9.25	-72.21
CC1=CC(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)=CC=C1C(=O)[O-]	REAL300001533656	1	49	0.0	-81.46	359.69	9.25	-72.21
CC1=CC(NC(=O)C23CC(C2)CN3C2CC2)=CC=C1C(=O)[O-]	REAL300001533659	0	42	0.0	-74.23	322.63	8.67	-65.56
CC1=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=CC=C1C(=O)[O-]	REAL300001533659	1	42	0.0	-78.91	321.93	9.03	-69.88
CC1=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=CC=C1C(=O)[O-]	REAL300001533659	1	42	0.0	-78.91	321.93	9.03	-69.88
O=C([O-])CSCC1=CC=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300001534604	0	54	0.0	-77.75	437.36	12.85	-64.90
O=C([O-])CSCC1=CC=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300001535154	0	51	0.0	-74.58	421.29	12.34	-62.24
O=C([O-])CSCC1=CC=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300001535154	1	51	0.0	-73.52	419.71	12.29	-61.23
O=C([O-])CSCC1=CC=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300001535970	0	48	0.0	-72.08	389.59	10.69	-61.39
O=C([O-])CSCC1=CC=CC(NC(=O)C2CCC[N@@H+]2C2CC2)=C1	REAL300001535995	0	45	0.0	-68.73	368.75	9.60	-59.13
O=C([O-])CSCC1=CC=CC(NC(=O)C2CCC[N@H+]2C2CC2)=C1	REAL300001535995	1	45	0.0	-74.95	368.15	9.66	-65.29
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=CC(CSCC(=O)[O-])=C3)CN21	REAL300001536001	1	46	0.0	-65.65	383.13	10.35	-55.30
O=C([O-])CSCC1=CC=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=C1	REAL300001536002	0	54	0.0	-73.24	436.53	12.77	-60.47
C[N@@H+]1CCCCC1C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536080	1	44	0.0	-69.18	357.59	9.24	-59.94
C[N@H+]1CCCCC1C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536080	1	44	0.0	-70.51	348.40	9.03	-61.48
CC(C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300001536081	1	49	0.0	-71.97	388.91	7.47	-64.50
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536121	1	44	0.0	-67.45	357.65	9.24	-58.21
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536121	1	44	0.0	-70.82	348.39	9.03	-61.79
C[NH+]1CCC(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)CC1	REAL300001536204	0	44	0.0	-74.77	360.08	9.29	-65.48
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=C1	REAL300001536234	0	39	0.0	-74.60	345.85	11.14	-63.46
C[NH+](C)CC1(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)CCCCC1	REAL300001536268	0	53	0.0	-72.06	397.99	11.07	-60.99
C[N@H+](CCC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1)C1CCCCC1	REAL300001536273	0	53	0.0	-73.63	414.39	11.23	-62.40
C[N@@H+](CCC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1)C1CCCCC1	REAL300001536273	1	53	0.0	-73.63	414.38	11.22	-62.41
C[N@@H+]1CCCC1C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536289	0	41	0.0	-68.74	341.51	8.59	-60.15
C[N@H+]1CCCC1C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536289	1	41	0.0	-69.09	342.06	8.69	-60.40
C[NH+]1CCC(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)CC1	REAL300001536344	0	44	0.0	-74.77	360.08	9.29	-65.48
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C1	REAL300001536348	0	47	0.0	-74.60	404.37	10.25	-64.35
O=C([O-])CSCC1=CC=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=C1	REAL300001536367	0	54	0.0	-69.07	408.40	11.54	-57.53
O=C([O-])CSCC1=CC=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=C1	REAL300001536367	1	54	0.0	-65.41	412.84	11.41	-54.00
O=C([O-])CSCC1=CC=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=C1	REAL300001536368	0	55	0.0	-68.86	420.72	9.76	-59.10
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536403	1	45	0.0	-69.45	386.94	10.53	-58.92
O=C([O-])CSCC1=CC=CC(NC(=O)CCCC[NH+]2CCOCC2)=C1	REAL300001536404	1	51	0.0	-76.02	414.24	9.21	-66.81
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536409	0	41	0.0	-69.08	335.96	8.19	-60.89
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536409	1	41	0.0	-68.18	340.77	8.66	-59.52
C[NH+](C)C1(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)CC1	REAL300001536418	1	41	0.0	-71.32	339.76	8.48	-62.84
O=C([O-])CSCC1=CC=CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300001536461	0	51	0.0	-73.55	418.82	12.01	-61.54
O=C([O-])CSCC1=CC=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300001536461	1	51	0.0	-74.00	421.05	12.12	-61.88
O=C([O-])CSCC1=CC=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=C1	REAL300001536462	0	52	0.0	-80.01	414.40	11.18	-68.83
O=C([O-])CSCC1=CC=CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=C1	REAL300001536485	0	55	0.0	-73.96	408.89	9.29	-64.67
CCC(C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1)[NH+](CC)CC	REAL300001536489	0	49	0.0	-65.49	376.51	9.75	-55.74
CC(C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001536491	0	50	0.0	-72.02	410.38	11.62	-60.40
CC(C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001536491	1	50	0.0	-74.27	409.79	11.67	-62.60
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)C=N1	REAL300001536520	0	46	0.0	-76.27	389.91	9.63	-66.64
CCC[NH+](CCC)CCCC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536525	0	55	0.0	-73.09	433.55	11.56	-61.53
CC[N@H+](C)C(C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1)C1=CC=CC=C1	REAL300001536526	1	50	0.0	-67.51	408.42	11.76	-55.75
CC[N@@H+](C)C(C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1)C1=CC=CC=C1	REAL300001536526	1	50	0.0	-72.77	404.11	11.55	-61.22
C[N@@H+]1CCOC(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)C1	REAL300001536528	1	42	0.0	-79.27	345.92	7.82	-71.45
C[N@H+]1CCOC(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)C1	REAL300001536528	1	42	0.0	-82.44	353.63	8.00	-74.44
CC[NH+](CC)C(C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1)C1=CC=CC=C1	REAL300001536530	0	53	0.0	-73.07	414.59	11.88	-61.19
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536539	1	45	0.0	-67.76	381.36	10.37	-57.39
C[NH+](C)C(C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1)C1=CC=C(Cl)C=C1	REAL300001536544	1	47	0.0	-75.93	407.14	11.64	-64.29
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=C1	REAL300001536557	0	51	0.0	-83.12	418.64	12.27	-70.85
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=C1	REAL300001536564	0	54	0.0	-74.99	435.39	12.97	-62.02
C[NH+](C)CC1(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)CC1	REAL300001536568	0	44	0.0	-74.44	361.74	9.47	-64.97
C[NH+](C)CCCCC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536576	0	46	0.0	-74.04	381.34	9.76	-64.28
CC(C)C(C(=O)NC1=CC=CC(CSCC(=O)[O-])=C1)[NH+](C)C	REAL300001536585	0	46	0.0	-69.61	363.29	9.83	-59.78
O=C([O-])CSCC1=CC=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300001536595	0	54	0.0	-68.92	425.01	12.59	-56.33
O=C([O-])CSCC1=CC=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300001536595	1	54	0.0	-66.89	433.82	12.83	-54.06
CC1=C(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)C=NN1C1=CC=[NH+]C=C1	REAL300001536597	1	45	0.0	-79.30	390.15	9.48	-69.82
O=C([O-])CSCC1=CC=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=C1	REAL300001536605	0	54	0.0	-83.20	435.38	12.98	-70.22
O=C([O-])CSCC1=CC=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=C1	REAL300001536617	1	47	0.0	-79.78	400.45	9.81	-69.97
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=CC(CSCC(=O)[O-])=C2)C=C1	REAL300001536618	0	50	0.0	-79.53	416.62	11.94	-67.59
CCC[N@H+](C)CC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536639	0	43	0.0	-72.16	355.18	9.04	-63.12
CCC[N@@H+](C)CC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536639	1	43	0.0	-71.74	355.20	9.04	-62.70
C[N@H+](CC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1)C1CCC1	REAL300001536661	0	44	0.0	-69.95	362.05	9.61	-60.34
C[N@@H+](CC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1)C1CCC1	REAL300001536661	1	44	0.0	-69.69	362.21	9.62	-60.07
C[N@H+](CC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1)CC(C)(C)C	REAL300001536689	0	49	0.0	-71.83	384.63	10.05	-61.78
C[N@@H+](CC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1)CC(C)(C)C	REAL300001536689	1	49	0.0	-71.14	385.57	10.18	-60.96
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536691	0	50	0.0	-75.81	415.11	12.06	-63.75
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536691	1	50	0.0	-76.31	414.82	12.07	-64.24
COCCOCC[N@H+](C)CCC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536692	0	54	0.0	-73.80	443.88	8.24	-65.56
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=CC(CSCC(=O)[O-])=C1	REAL300001536692	1	54	0.0	-74.52	444.15	8.25	-66.27
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CC(C)C[N@H+]1CCCC(C(=O)NCCSCC(=O)[O-])C1	REAL300001547347	1	46	0.0	-64.20	355.35	7.99	-56.21
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CC(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300001549773	1	51	0.0	-69.13	395.68	7.04	-62.09
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C[N@@H+]1CCCC1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001549981	0	43	0.0	-49.58	342.09	7.75	-41.83
C[N@H+]1CCCC1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001549981	1	43	0.0	-55.30	342.39	7.74	-47.56
C[NH+]1CCC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300001550036	0	46	0.0	-67.06	366.95	8.86	-58.20
O=C([O-])C(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)CC1=CC=CC(F)=C1	REAL300001550040	0	49	0.0	-70.25	401.61	9.89	-60.36
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)CC1=CC=CC(F)=C1	REAL300001550059	0	56	0.0	-42.10	410.40	11.08	-31.02
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1C1CCCC1)CC1=CC=CC(F)=C1	REAL300001550059	1	56	0.0	-56.88	415.06	11.13	-45.75
O=C([O-])C(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)CC1=CC=CC(F)=C1	REAL300001550060	0	57	0.0	-64.86	424.17	9.54	-55.32
CC1=[NH+]C=CN1CCCC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550095	1	47	0.0	-58.72	393.37	10.11	-48.61
O=C([O-])C(CNC(=O)CCCC[NH+]1CCOCC1)CC1=CC=CC(F)=C1	REAL300001550096	1	53	0.0	-71.77	420.61	8.79	-62.98
C[N@@H+]1CCC[C@@H]1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550101	0	43	0.0	-49.58	342.13	7.75	-41.83
C[N@H+]1CCC[C@@H]1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550101	1	43	0.0	-59.22	347.46	8.27	-50.95
C[NH+](C)C1(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300001550110	0	43	0.0	-56.66	342.92	8.23	-48.43
O=C([O-])C(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)CC1=CC=CC(F)=C1	REAL300001550153	0	53	0.0	-58.86	425.51	11.58	-47.28
O=C([O-])C(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)CC1=CC=CC(F)=C1	REAL300001550153	1	53	0.0	-57.98	427.40	11.70	-46.28
O=C([O-])C(CNC(=O)C1CC[NH+](C2CCSC2)CC1)CC1=CC=CC(F)=C1	REAL300001550154	0	54	0.0	-70.91	426.15	11.09	-59.82
O=C([O-])C(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)CC1=CC=CC(F)=C1	REAL300001550177	0	57	0.0	-63.59	419.67	9.09	-54.50
CCC(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+](CC)CC	REAL300001550181	0	51	0.0	-48.48	378.71	9.65	-38.83
CC(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300001550183	0	52	0.0	-56.25	417.31	11.20	-45.05
CC(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300001550183	1	52	0.0	-50.41	407.41	11.24	-39.17
C[NH+](C)CC1=CC=C(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C=N1	REAL300001550212	0	48	0.0	-67.63	386.38	9.30	-58.33
CCC[NH+](CCC)CCCC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550217	0	57	0.0	-60.59	435.00	11.49	-49.10
CC[N@H+](C)C(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300001550218	0	52	0.0	-52.17	414.87	11.36	-40.81
CC[N@@H+](C)C(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300001550218	1	52	0.0	-52.44	415.60	11.30	-41.14
C[N@@H+]1CCOC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001550220	1	44	0.0	-65.10	349.88	7.72	-57.38
C[N@H+]1CCOC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001550220	1	44	0.0	-64.50	359.78	7.65	-56.85
CC[NH+](CC)C(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300001550222	0	55	0.0	-51.99	421.75	11.71	-40.28
CC(C)C1=[NH+]C=CN1CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550231	1	47	0.0	-50.38	378.10	10.00	-40.38
C[NH+](C)C(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001550236	1	49	0.0	-56.29	413.80	11.21	-45.08
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)CC1=CC=CC(F)=C1	REAL300001550249	0	53	0.0	-75.10	425.31	11.83	-63.27
O=C([O-])C(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)CC1=CC=CC(F)=C1	REAL300001550256	0	56	0.0	-73.79	442.07	12.53	-61.26
C[NH+](C)CC1(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300001550260	0	46	0.0	-49.96	374.15	8.98	-40.98
C[NH+](C)CCCCC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550268	0	48	0.0	-64.63	377.81	9.42	-55.21
CC(C)C(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+](C)C	REAL300001550277	0	48	0.0	-55.49	365.96	8.63	-46.86
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)CC1=CC=CC(F)=C1	REAL300001550287	0	56	0.0	-46.56	441.01	12.34	-34.22
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)CC1=CC=CC(F)=C1	REAL300001550287	1	56	0.0	-42.26	421.67	12.25	-30.01
CC1=C(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300001550289	1	47	0.0	-73.06	388.22	9.16	-63.90
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)CC1=CC=CC(F)=C1	REAL300001550297	0	56	0.0	-75.48	442.06	12.54	-62.94
O=C([O-])C(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)CC1=CC=CC(F)=C1	REAL300001550309	1	49	0.0	-71.78	396.94	9.45	-62.33
C[NH+](C)CCC1=CC=C(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300001550310	0	52	0.0	-73.57	413.09	11.61	-61.96
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550321	1	45	0.0	-49.73	361.75	8.33	-41.40
CCC[N@H+](C)CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550331	0	45	0.0	-52.32	351.68	8.68	-43.64
CCC[N@@H+](C)CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550331	1	45	0.0	-52.38	351.67	8.68	-43.70
C[N@H+](CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCC1	REAL300001550353	0	46	0.0	-50.98	368.61	9.18	-41.80
C[N@@H+](CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCC1	REAL300001550353	1	46	0.0	-57.51	368.47	9.17	-48.34
CC(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+]1CCSCC1	REAL300001550377	1	47	0.0	-47.74	371.20	9.07	-38.67
C[N@H+](CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])CC(C)(C)C	REAL300001550381	0	51	0.0	-51.42	380.28	9.68	-41.74
C[N@@H+](CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])CC(C)(C)C	REAL300001550381	1	51	0.0	-58.40	392.13	9.75	-48.65
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550383	0	52	0.0	-62.64	421.49	11.64	-51.00
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550383	1	52	0.0	-55.63	411.58	11.71	-43.92
COCCOCC[N@H+](C)CCC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550384	0	56	0.0	-65.30	450.52	7.81	-57.49
COCCOCC[N@@H+](C)CCC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550384	1	56	0.0	-64.98	450.53	7.82	-57.16
CC[C@@H](C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+](C)C	REAL300001550388	0	45	0.0	-52.88	343.10	8.26	-44.62
C[N@@H+]1CCCC(O)(CC(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001550390	0	50	0.0	-54.18	382.96	7.35	-46.83
C[N@H+]1CCCC(O)(CC(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001550390	1	50	0.0	-60.80	386.14	7.58	-53.22
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)CC1=CC=CC(F)=C1	REAL300001550411	1	55	0.0	-57.91	429.52	10.63	-47.28
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)CC1=CC=CC(F)=C1	REAL300001550411	1	55	0.0	-62.84	426.52	10.45	-52.39
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)CC1=CC=CC(F)=C1	REAL300001550412	1	55	0.0	-59.19	435.94	10.50	-48.69
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)CC1=CC=CC(F)=C1	REAL300001550412	1	55	0.0	-50.86	426.49	10.42	-40.44
CCCCCC[N@H+](C)CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550414	0	54	0.0	-53.68	426.12	10.94	-42.74
CCCCCC[N@@H+](C)CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550414	1	54	0.0	-49.89	419.56	10.99	-38.90
O=C([O-])C(CNC(=O)C12CCC[NH+]1CCC2)CC1=CC=CC(F)=C1	REAL300001550424	0	47	0.0	-52.20	367.48	9.20	-43.00
O=C([O-])C(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)CC1=CC=CC(F)=C1	REAL300001550432	1	41	0.0	-71.84	352.79	10.70	-61.14
C[N@H+](CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCSC1	REAL300001550444	0	47	0.0	-54.17	375.32	9.46	-44.71
C[N@@H+](CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CCSC1	REAL300001550444	1	47	0.0	-56.86	371.72	9.52	-47.34
CC(C)[NH+]1CCN(CCC(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300001550461	0	57	0.0	-66.45	437.70	8.37	-58.08
CC(C)N1CC[NH+](CCC(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300001550461	1	57	0.0	-57.55	424.11	8.25	-49.30
CC(C)[NH+]1CCN(CCCC(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300001550462	0	60	0.0	-68.93	459.20	9.18	-59.75
CC(C)N1CC[NH+](CCCC(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300001550462	1	60	0.0	-67.34	455.52	8.97	-58.37
O=C([O-])C(CNC(=O)C1CCCC2CCC[N@@H+]21)CC1=CC=CC(F)=C1	REAL300001550463	0	50	0.0	-46.96	386.94	10.04	-36.92
O=C([O-])C(CNC(=O)C1CCCC2CCC[N@H+]21)CC1=CC=CC(F)=C1	REAL300001550463	1	50	0.0	-47.65	386.86	10.04	-37.61
C[NH+](C)CCN1C=C(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C=N1	REAL300001550465	0	49	0.0	-67.56	396.71	8.77	-58.79
O=C([O-])C(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)CC1=CC=CC(F)=C1	REAL300001550476	0	55	0.0	-62.32	438.39	10.62	-51.70
O=C([O-])C(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)CC1=CC=CC(F)=C1	REAL300001550476	1	55	0.0	-61.16	438.33	10.53	-50.63
CC(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300001550481	1	53	0.0	-51.84	414.33	11.58	-40.26
CC(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300001550481	1	53	0.0	-52.42	417.39	11.76	-40.66
CCCC(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+](C)C	REAL300001550500	0	48	0.0	-48.98	364.47	9.03	-39.95
O=C([O-])C(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)CC1=CC=CC(F)=C1	REAL300001550501	0	56	0.0	-64.60	437.45	12.51	-52.09
O=C([O-])C(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)CC1=CC=CC(F)=C1	REAL300001550501	1	56	0.0	-63.88	437.97	12.51	-51.37
C[NH+](C)CCN1C=CC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])=N1	REAL300001550516	0	49	0.0	-77.52	407.03	8.71	-68.81
C[NH+](C)CCN1N=CC=C1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550517	0	49	0.0	-61.87	402.15	8.67	-53.20
C[C@@H]1[C@H](C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300001550520	0	46	0.0	-54.84	349.96	8.50	-46.34
C[C@@H]1[C@H](C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@H+]1C	REAL300001550520	1	46	0.0	-62.76	365.40	8.49	-54.27
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550522	1	50	0.0	-53.77	398.40	10.48	-43.29
CC[C@@H]1[C@@H](C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300001550525	0	49	0.0	-64.09	379.40	8.87	-55.22
CC[C@@H]1[C@@H](C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC[N@H+]1C	REAL300001550525	1	49	0.0	-48.44	373.46	9.49	-38.95
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550528	1	45	0.0	-49.19	362.48	9.00	-40.19
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550528	1	45	0.0	-44.70	364.98	9.56	-35.14
CC1C[N@H+](C)CC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300001550534	1	47	0.0	-51.21	374.01	8.23	-42.98
CC1C[N@@H+](C)CC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300001550534	1	47	0.0	-64.55	380.95	8.38	-56.17
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)CC1=CC=CC(F)=C1	REAL300001550541	1	52	0.0	-44.72	407.04	9.78	-34.94
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)CC1=CC=CC(F)=C1	REAL300001550541	1	52	0.0	-55.88	416.23	10.09	-45.79
O=C([O-])C(CNC(=O)C[NH+]1CCCC1)CC1=CC=CC(F)=C1	REAL300001550544	0	43	0.0	-51.36	337.95	8.41	-42.95
CC1=[NH+]C=CN1CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550546	1	41	0.0	-57.39	351.78	8.81	-48.58
CC(C[NH+]1CCOCC1)C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550548	0	50	0.0	-58.35	383.76	8.00	-50.35
CC1CC[NH+](CC(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300001550567	0	49	0.0	-58.77	385.31	9.69	-49.08
CC[N@@H+]1CCOC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001550578	1	47	0.0	-57.63	370.39	8.13	-49.50
CC[N@H+]1CCOC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001550578	1	47	0.0	-58.44	371.00	8.33	-50.11
O=C([O-])C(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)CC1=CC=CC(F)=C1	REAL300001550615	0	56	0.0	-53.86	420.50	11.10	-42.76
O=C([O-])C(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)CC1=CC=CC(F)=C1	REAL300001550615	1	56	0.0	-54.37	421.17	11.11	-43.26
C[N@@H+]1CCCC1CCC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550621	0	49	0.0	-66.91	389.93	9.70	-57.21
C[N@H+]1CCCC1CCC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550621	1	49	0.0	-54.99	374.40	9.30	-45.69
O=C([O-])C(CNC(=O)C12CCC[NH+](CCC1)C2)CC1=CC=CC(F)=C1	REAL300001550633	0	50	0.0	-62.92	379.78	9.40	-53.52
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550635	0	47	0.0	-58.77	360.88	5.37	-53.40
C[N@H+]1CC(O)CC1(C)C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550635	1	47	0.0	-48.46	359.54	5.48	-42.98
O=C([O-])C(CNC(=O)C1CCC2CCCC[N@@H+]21)CC1=CC=CC(F)=C1	REAL300001550636	0	50	0.0	-49.67	377.66	9.73	-39.94
O=C([O-])C(CNC(=O)C1CCC2CCCC[N@H+]21)CC1=CC=CC(F)=C1	REAL300001550636	1	50	0.0	-48.68	390.20	10.14	-38.54
CC(C)(C[NH+]1CCOCC1)C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550643	0	53	0.0	-58.53	403.15	8.28	-50.25
CC[NH+](CC)CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550659	0	45	0.0	-58.05	353.94	8.28	-49.77
CC(C)[NH+]1CCC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300001550661	0	52	0.0	-60.99	387.69	9.88	-51.11
O=C([O-])C(CNC(=O)C12CC[NH+](CC1)C2)CC1=CC=CC(F)=C1	REAL300001550742	0	44	0.0	-60.37	354.02	7.71	-52.66
CCC(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+](C)C	REAL300001550745	0	45	0.0	-49.15	342.85	8.26	-40.89
O=C([O-])C(CNC(=O)C12CC[N@H+](C1)CCC2)CC1=CC=CC(F)=C1	REAL300001550753	0	47	0.0	-51.21	354.43	8.50	-42.71
O=C([O-])C(CNC(=O)C12CC[N@@H+](C1)CCC2)CC1=CC=CC(F)=C1	REAL300001550753	1	47	0.0	-60.12	363.97	8.42	-51.70
CC1CCC(C)[NH+]1CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550797	0	49	0.0	-49.21	369.58	9.29	-39.92
C[NH+](C)CC1=CC=CC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300001550798	0	49	0.0	-67.99	390.65	10.76	-57.23
O=C([O-])C(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)CC1=CC=CC(F)=C1	REAL300001550799	0	56	0.0	-58.88	443.67	12.39	-46.49
O=C([O-])C(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)CC1=CC=CC(F)=C1	REAL300001550799	1	56	0.0	-57.99	443.60	12.39	-45.60
C[NH+](C)C1(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CCC1	REAL300001550835	0	46	0.0	-51.29	353.24	8.73	-42.56
C#CC[NH+]1CCC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300001550862	0	48	0.0	-63.90	382.22	10.14	-53.76
CCC[N@@H+]1CCCCC1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550864	0	52	0.0	-59.38	394.15	10.02	-49.36
CCC[N@H+]1CCCCC1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550864	1	52	0.0	-52.30	387.73	10.05	-42.25
C[NH+](C)CC1=CC=CC=C1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550865	0	49	0.0	-61.38	393.44	10.96	-50.42
CC[NH+]1CCN(CCC(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300001550867	0	54	0.0	-70.21	419.79	7.70	-62.51
CCN1CC[NH+](CCC(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300001550867	1	54	0.0	-57.48	411.05	7.93	-49.55
CC(C)[N@H+](C)CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550868	0	45	0.0	-47.23	350.25	8.43	-38.80
CC(C)[N@@H+](C)CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550868	1	45	0.0	-57.37	356.77	8.40	-48.97
CC(C)C(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300001550869	0	55	0.0	-59.46	411.69	11.32	-48.14
C[NH+](C)C(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300001550870	1	49	0.0	-53.16	387.10	10.76	-42.40
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550878	1	50	0.0	-53.41	397.86	10.43	-42.98
C[NH+](C)CC1=C(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])OC2=CC=CC=C21	REAL300001550880	0	52	0.0	-64.26	427.67	11.03	-53.23
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CCCC1)CC1=CC=CC(F)=C1	REAL300001550886	0	53	0.0	-56.53	409.60	10.82	-45.71
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CCCC1)CC1=CC=CC(F)=C1	REAL300001550886	1	53	0.0	-51.65	408.28	10.58	-41.07
CC[N@H+](CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CC1	REAL300001550888	0	46	0.0	-55.29	371.54	9.24	-46.05
CC[N@@H+](CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])C1CC1	REAL300001550888	1	46	0.0	-57.77	363.75	9.10	-48.67
CC(C)C(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300001550914	1	59	0.0	-57.75	444.88	10.39	-47.36
CC(C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300001550915	0	52	0.0	-50.29	376.94	9.95	-40.34
C[N@@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550918	0	43	0.0	-47.53	342.15	8.31	-39.22
C[N@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001550918	1	43	0.0	-54.89	332.49	7.82	-47.07
CC(C)(C)[NH2+]CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001551001	0	45	0.0	-51.36	351.40	7.01	-44.35
CC[NH+](CC)CC1=CC=C(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300001551003	0	52	0.0	-67.27	422.21	10.37	-56.90
O=C([O-])C(CNC(=O)CCCC[NH+]1CCCC1)CC1=CC=CC(F)=C1	REAL300001551004	0	52	0.0	-62.91	403.78	10.59	-52.32
CC1=CC=C(N2CCC(C(=O)NCC(CC3=CC=CC(F)=C3)C(=O)[O-])CC2)[NH+]=C1	REAL300001551006	1	55	0.0	-60.05	426.49	10.34	-49.71
C[N@H+](CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300001551007	1	49	0.0	-61.42	399.01	10.79	-50.63
C[N@@H+](CC(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300001551007	1	49	0.0	-54.96	389.11	10.87	-44.09
CC(C)[C@@H](C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-])[NH+](C)C	REAL300001551017	0	48	0.0	-60.77	366.57	8.73	-52.04
O=C([O-])C(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)CC1=CC=CC(F)=C1	REAL300001551035	1	44	0.0	-71.43	371.75	8.71	-62.72
C[NH+](C)CC1=CC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])=NO1	REAL300001551062	1	45	0.0	-73.12	370.54	8.23	-64.89
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001551066	0	56	0.0	-64.21	447.05	12.17	-52.04
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001551066	1	56	0.0	-61.40	443.96	12.23	-49.17
CC(C)[N@@H+]1CCCC1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001551079	0	49	0.0	-40.76	363.04	9.40	-31.36
CC(C)[N@H+]1CCCC1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001551079	1	49	0.0	-47.15	376.09	9.41	-37.74
C[NH+]1CCC(OCC(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300001551102	0	50	0.0	-64.92	395.78	9.32	-55.60
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)CC1=CC=CC(F)=C1	REAL300001551106	0	53	0.0	-70.14	428.50	10.88	-59.26
CCC[N@@H+]1CCCC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001551287	0	52	0.0	-64.85	406.16	10.22	-54.63
CCC[N@H+]1CCCC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001551287	1	52	0.0	-58.37	406.09	10.22	-48.15
CC(C)C[N@@H+]1CCCC1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001551317	0	52	0.0	-56.25	407.33	10.37	-45.88
CC(C)C[N@H+]1CCCC1C(=O)NCC(CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001551317	1	52	0.0	-43.33	396.77	10.37	-32.96
O=C([O-])C(CNC(=O)C[NH+]1CCC(CO)CC1)CC1=CC=CC(F)=C1	REAL300001551318	0	50	0.0	-53.18	386.24	6.46	-46.72
CC(C)[N@@H+]1CCCC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001551537	0	52	0.0	-44.45	385.09	10.26	-34.19
CC(C)[N@H+]1CCCC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001551537	1	52	0.0	-56.95	399.88	9.91	-47.04
C[N@@H+]1CC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300001551538	0	46	0.0	-70.29	376.84	8.93	-61.36
C[N@H+]1CC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300001551538	1	46	0.0	-46.95	369.82	8.79	-38.16
CC1=C(C)[NH+]=C(CCC(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])N1	REAL300001551563	1	47	0.0	-53.48	382.68	8.56	-44.92
C[NH+](C)CCC1=CC=CC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300001552038	0	52	0.0	-66.50	413.05	11.59	-54.91
C[NH+](C)CCOC1=CC=C(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300001552045	0	53	0.0	-70.21	420.39	10.55	-59.66
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001552180	0	46	0.0	-62.34	372.11	8.91	-53.43
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])CC1	REAL300001552184	0	52	0.0	-61.47	394.80	9.88	-51.59
CC(C)C[N@@H+]1CCCC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001552249	0	55	0.0	-53.26	417.46	11.10	-42.16
CC(C)C[N@H+]1CCCC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001552249	1	55	0.0	-53.26	417.46	11.10	-42.16
CC[N@@H+]1CCCC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001552250	0	49	0.0	-56.64	384.60	9.48	-47.16
CC[N@H+]1CCCC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001552250	1	49	0.0	-56.64	384.60	9.48	-47.16
C[N@@H+]1CCCC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001552255	0	46	0.0	-53.90	360.66	9.02	-44.88
C[N@H+]1CCCC(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001552255	1	46	0.0	-53.90	360.66	9.02	-44.88
CN(C)CC1=CC=C(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300001552257	0	46	0.0	-70.67	386.93	9.00	-61.67
C[NH+](C)CC1=CC=C(C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])O1	REAL300001552257	1	46	0.0	-70.67	386.93	9.00	-61.67
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001552263	0	55	0.0	-64.07	407.14	10.42	-53.65
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(CC2=CC=CC(F)=C2)C(=O)[O-])C1	REAL300001552263	1	55	0.0	-64.07	407.14	10.42	-53.65
O=C([O-])C(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)CC1=CC=CC(F)=C1	REAL300001552266	0	48	0.0	-48.28	373.90	10.55	-37.73
CC1=CC=CC(CC(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])=C1	REAL300001553294	0	59	0.0	-62.87	448.58	13.10	-49.77
CC1=CC=CC(CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300001553871	0	56	0.0	-48.25	425.29	11.99	-36.26
CC1=CC=CC(CC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300001553871	1	56	0.0	-49.71	434.45	12.46	-37.25
CC1=CC=CC(CC(CNC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])=C1	REAL300001554727	0	53	0.0	-58.52	396.89	10.73	-47.79
CC1=CC=CC(CC(CNC(=O)C2CCC[N@@H+]2C2CC2)C(=O)[O-])=C1	REAL300001554752	0	50	0.0	-51.19	388.41	9.84	-41.35
CC1=CC=CC(CC(CNC(=O)C2CCC[N@H+]2C2CC2)C(=O)[O-])=C1	REAL300001554752	1	50	0.0	-47.19	379.76	9.66	-37.53
CC1=[NH+]C=C2CCC(C(=O)NCC(CC3=CC(C)=CC=C3)C(=O)[O-])CN21	REAL300001554758	1	51	0.0	-58.01	405.73	10.56	-47.45
CC1=CC=CC(CC(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C(=O)[O-])=C1	REAL300001554759	0	59	0.0	-49.98	451.75	13.06	-36.92
CC1=CC=CC(CC(CNC(=O)C2CCCC[N@H+]2C)C(=O)[O-])=C1	REAL300001554839	0	49	0.0	-59.23	370.05	9.22	-50.01
CC1=CC=CC(CC(CNC(=O)C2CCCC[N@@H+]2C)C(=O)[O-])=C1	REAL300001554839	1	49	0.0	-52.16	379.28	9.39	-42.77
CC1=CC=CC(CC(CNC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300001554840	1	54	0.0	-61.63	400.67	7.71	-53.92
CC1=CC=CC(CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])=C1	REAL300001554882	0	49	0.0	-56.47	379.32	9.38	-47.09
CC1=CC=CC(CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])=C1	REAL300001554882	1	49	0.0	-59.25	370.00	9.22	-50.03
CC1=CC=CC(CC(CNC(=O)C2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300001554969	0	49	0.0	-58.96	372.04	9.53	-49.43
CC1=CC=CC(CC(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])=C1	REAL300001554999	0	44	0.0	-60.58	357.61	11.36	-49.22
CC1=CC=CC(CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])=C1	REAL300001555035	0	58	0.0	-67.03	425.87	11.16	-55.87
CC1=CC=CC(CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])=C1	REAL300001555040	0	58	0.0	-62.29	435.76	11.38	-50.91
CC1=CC=CC(CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])=C1	REAL300001555040	1	58	0.0	-61.71	435.76	11.40	-50.31
CC1=CC=CC(CC(CNC(=O)C2CCC[N@H+]2C)C(=O)[O-])=C1	REAL300001555057	0	46	0.0	-53.22	357.35	8.34	-44.88
CC1=CC=CC(CC(CNC(=O)C2CCC[N@@H+]2C)C(=O)[O-])=C1	REAL300001555057	1	46	0.0	-46.55	347.51	8.42	-38.13
CC1=CC=CC(CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300001555062	1	56	0.0	-57.99	441.60	11.97	-46.02
CC1=CC=CC(CC(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300001555062	1	56	0.0	-53.07	441.57	11.99	-41.08
CC1=CC=CC(CC(CNC(=O)C2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300001555114	0	49	0.0	-58.96	372.04	9.53	-49.43
CC1=CC=CC(CC(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(=O)[O-])=C1	REAL300001555118	0	52	0.0	-74.42	426.50	10.42	-64.00
CC1=CC=CC(CC(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)C(=O)[O-])=C1	REAL300001555138	0	59	0.0	-49.72	428.78	11.63	-38.09
CC1=CC=CC(CC(CNC(=O)C2CCCC[N@H+]2C2CCCC2)C(=O)[O-])=C1	REAL300001555138	1	59	0.0	-46.75	420.11	11.81	-34.94
CC1=CC=CC(CC(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C(=O)[O-])=C1	REAL300001555139	0	60	0.0	-51.77	437.31	10.01	-41.76
CC1=[NH+]C=CN1CCCC(=O)NCC(CC1=CC(C)=CC=C1)C(=O)[O-]	REAL300001555175	1	50	0.0	-62.32	408.32	10.69	-51.63
CC1=CC=CC(CC(CNC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300001555176	1	56	0.0	-63.85	425.71	9.46	-54.39
CC[N@H+](CC1=CC=C(C(=O)NCC(CC2=CC=CC(C)=C2)C(=O)[O-])C=C1)C(C)C	REAL300001555179	0	61	0.0	-70.51	464.04	12.89	-57.62
CC[N@@H+](CC1=CC=C(C(=O)NCC(CC2=CC=CC(C)=C2)C(=O)[O-])C=C1)C(C)C	REAL300001555179	1	61	0.0	-70.74	454.85	12.46	-58.28
CC1=CC=CC(CC(CNC(=O)[C@H]2CCC[N@H+]2C)C(=O)[O-])=C1	REAL300001555182	0	46	0.0	-53.08	357.03	8.35	-44.73
CC1=CC=CC(CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C(=O)[O-])=C1	REAL300001555182	1	46	0.0	-57.04	362.47	8.86	-48.18
CC1=CC=CC(CC(CNC(=O)C2([NH+](C)C)CC2)C(=O)[O-])=C1	REAL300001555191	0	46	0.0	-57.08	361.45	8.70	-48.38
CC1=CC=CC(CC(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300001555238	0	56	0.0	-62.62	440.46	12.17	-50.45
CC1=CC=CC(CC(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300001555238	1	56	0.0	-63.32	442.35	12.30	-51.02
CC1=CC=CC(CC(CNC(=O)C2CC[NH+](C3CCSC3)CC2)C(=O)[O-])=C1	REAL300001555239	0	57	0.0	-62.35	431.24	11.76	-50.59
CC1=CC=CC(CC(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C(=O)[O-])=C1	REAL300001555263	0	60	0.0	-61.84	434.67	9.69	-52.15
CCC(C(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-])[NH+](CC)CC	REAL300001555267	0	54	0.0	-52.77	403.62	10.17	-42.60
CC1=CC=CC(CC(CNC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300001555269	0	55	0.0	-47.11	422.40	11.87	-35.24
CC1=CC=CC(CC(CNC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300001555269	1	55	0.0	-55.05	432.31	11.76	-43.29
CC1=CC=CC(CC(CNC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])=C1	REAL300001555302	0	51	0.0	-65.89	401.37	9.90	-55.99
CCC[NH+](CCC)CCCC(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300001555308	0	60	0.0	-58.44	450.00	12.08	-46.36
CC[N@H+](C)C(C(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300001555309	0	55	0.0	-43.17	420.60	11.99	-31.18
CC[N@@H+](C)C(C(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300001555309	1	55	0.0	-50.51	430.60	11.90	-38.61
CC1=CC=CC(CC(CNC(=O)C2C[N@H+](C)CCO2)C(=O)[O-])=C1	REAL300001555311	1	47	0.0	-62.46	364.87	8.32	-54.14
CC1=CC=CC(CC(CNC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])=C1	REAL300001555311	1	47	0.0	-62.75	374.77	8.25	-54.50
CC[NH+](CC)C(C(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-])C1=CC=CC=C1	REAL300001555313	0	58	0.0	-50.14	436.75	12.31	-37.83
CC1=CC=CC(CC(CNC(=O)CN2C=C[NH+]=C2C(C)C)C(=O)[O-])=C1	REAL300001555322	1	50	0.0	-54.70	403.00	10.52	-44.18
CC1=CC=CC(CC(CNC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300001555327	1	52	0.0	-47.27	418.90	11.88	-35.39
CC1=CC=CC(CC(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(=O)[O-])=C1	REAL300001555340	0	56	0.0	-67.91	430.41	12.51	-55.40
CC1=CC=CC(CC(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(=O)[O-])=C1	REAL300001555347	0	59	0.0	-72.18	457.06	13.13	-59.05
CC1=CC=CC(CC(CNC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])=C1	REAL300001555351	0	49	0.0	-48.60	389.15	9.58	-39.02
CC1=CC=CC(CC(CNC(=O)CCCC[NH+](C)C)C(=O)[O-])=C1	REAL300001555360	0	51	0.0	-62.61	392.81	10.02	-52.59
CC1=CC=CC(CC(CNC(=O)C(C(C)C)[NH+](C)C)C(=O)[O-])=C1	REAL300001555369	0	51	0.0	-54.55	386.97	9.86	-44.69
CC1=CC=CC(CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300001555382	0	59	0.0	-48.16	446.16	13.02	-35.14
CC1=CC=CC(CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300001555382	1	59	0.0	-52.25	446.57	12.78	-39.47
CC1=C(C(=O)NCC(CC2=CC(C)=CC=C2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300001555384	1	50	0.0	-77.20	413.12	9.68	-67.52
CC1=CC=CC(CC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])=C1	REAL300001555392	0	59	0.0	-74.20	457.06	13.14	-61.06
CC1=CC=CC(CC(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])=C1	REAL300001555405	1	52	0.0	-69.95	411.93	10.05	-59.90
CC1=CC=CC(CC(CNC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300001555406	0	55	0.0	-77.83	437.99	12.13	-65.70
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300001555417	1	48	0.0	-47.67	376.71	8.93	-38.74
CC1=CC=CC(CC(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1	REAL300001555419	1	57	0.0	-67.36	451.47	11.81	-55.55
CC1=CC=CC(CC(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1	REAL300001555419	1	57	0.0	-67.07	451.98	11.83	-55.24
CCC[N@H+](C)CC(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300001555428	0	48	0.0	-56.57	376.58	9.20	-47.37
CCC[N@@H+](C)CC(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300001555428	1	48	0.0	-49.73	366.67	9.28	-40.45
CC1=CC=CC(CC(CNC(=O)C[N@@H+](C)C2CCC2)C(=O)[O-])=C1	REAL300001555450	0	49	0.0	-50.96	377.05	9.81	-41.15
CC1=CC=CC(CC(CNC(=O)C[N@H+](C)C2CCC2)C(=O)[O-])=C1	REAL300001555450	1	49	0.0	-55.19	383.47	9.78	-45.41
CC1=CC=CC(CC(CNC(=O)C(C)[NH+]2CCSCC2)C(=O)[O-])=C1	REAL300001555474	1	50	0.0	-57.16	392.72	9.63	-47.53
CC1=CC=CC(CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])=C1	REAL300001555480	0	54	0.0	-55.91	405.18	10.20	-45.71
CC1=CC=CC(CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-])=C1	REAL300001555480	1	54	0.0	-49.06	397.23	10.43	-38.63
CC1=CC=CC(CC(CNC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300001555482	0	55	0.0	-60.24	436.49	12.23	-48.01
CC1=CC=CC(CC(CNC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300001555482	1	55	0.0	-52.94	426.58	12.31	-40.63
COCCOCC[N@H+](C)CCC(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300001555483	0	59	0.0	-63.28	465.52	8.41	-54.87
COCCOCC[N@@H+](C)CCC(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300001555483	1	59	0.0	-63.14	465.53	8.41	-54.73
CC[C@@H](C(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-])[NH+](C)C	REAL300001555487	0	48	0.0	-47.14	358.06	8.87	-38.27
CC1=CC=CC(CC(CNC(=O)CC2(O)CCC[N@@H+](C)C2)C(=O)[O-])=C1	REAL300001555489	0	53	0.0	-58.00	397.97	7.95	-50.05
CC1=CC=CC(CC(CNC(=O)CC2(O)CCC[N@H+](C)C2)C(=O)[O-])=C1	REAL300001555489	1	53	0.0	-58.43	401.14	8.18	-50.25
CC1=CC=CC(CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300001555510	1	58	0.0	-58.93	451.08	11.19	-47.74
CC1=CC=CC(CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C(=O)[O-])=C1	REAL300001555510	1	58	0.0	-60.36	441.60	11.05	-49.31
CC1=CC=CC(CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300001555511	1	58	0.0	-56.56	450.93	11.10	-45.46
CC1=CC=CC(CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C(=O)[O-])=C1	REAL300001555511	1	58	0.0	-54.52	441.49	11.02	-43.50
CCCCCC[N@H+](C)CC(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300001555513	0	57	0.0	-51.50	435.84	11.64	-39.86
CCCCCC[N@@H+](C)CC(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300001555513	1	57	0.0	-51.60	435.84	11.63	-39.97
CC1=CC=CC(CC(CNC(=O)C23CCC[NH+]2CCC3)C(=O)[O-])=C1	REAL300001555523	0	50	0.0	-50.50	382.00	9.78	-40.72
CC1=CC=CC(CC(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])=C1	REAL300001555531	1	44	0.0	-70.34	367.79	11.30	-59.04
CC1=CC=CC(CC(CNC(=O)C[N@@H+](C)C2CCSC2)C(=O)[O-])=C1	REAL300001555544	0	50	0.0	-61.88	396.88	10.02	-51.86
CC1=CC=CC(CC(CNC(=O)C[N@H+](C)C2CCSC2)C(=O)[O-])=C1	REAL300001555544	1	50	0.0	-61.22	396.62	10.04	-51.18
CC1=CC=CC(CC(CNC(=O)CCN2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300001555561	0	60	0.0	-64.79	452.70	8.97	-55.82
CC1=CC=CC(CC(CNC(=O)CC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])=C1	REAL300001555561	1	60	0.0	-61.95	449.01	8.77	-53.18
CC1=CC=CC(CC(CNC(=O)CCCN2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300001555562	0	63	0.0	-67.26	474.20	9.78	-57.48
CC1=CC=CC(CC(CNC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])=C1	REAL300001555562	1	63	0.0	-58.97	460.61	9.64	-49.33
CC1=CC=CC(CC(CNC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])=C1	REAL300001555563	0	53	0.0	-51.87	401.98	10.64	-41.23
CC1=CC=CC(CC(CNC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])=C1	REAL300001555563	1	53	0.0	-45.16	391.96	10.71	-34.45
CC1=CC=CC(CC(CNC(=O)C2=CN(CC[NH+](C)C)N=C2)C(=O)[O-])=C1	REAL300001555565	0	52	0.0	-77.28	421.63	9.29	-67.99
CC1=CC=CC(CC(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(=O)[O-])=C1	REAL300001555576	0	58	0.0	-66.44	453.39	11.22	-55.22
CC1=CC=CC(CC(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(=O)[O-])=C1	REAL300001555576	1	58	0.0	-58.85	443.42	11.20	-47.65
CC1=CC=CC(CC(CNC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])=C1	REAL300001555581	1	56	0.0	-49.40	429.33	12.18	-37.22
CC1=CC=CC(CC(CNC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])=C1	REAL300001555581	1	56	0.0	-56.27	432.39	12.36	-43.91
CCCC(C(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-])[NH+](C)C	REAL300001555600	0	51	0.0	-46.62	379.47	9.63	-36.99
CC1=CC=CC(CC(CNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300001555601	0	59	0.0	-62.42	452.45	13.09	-49.33
CC1=CC=CC(CC(CNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300001555601	1	59	0.0	-68.44	463.00	13.04	-55.40
CC1=CC=CC(CC(CNC(=O)C2=NN(CC[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300001555616	0	52	0.0	-76.29	422.03	9.31	-66.98
CC1=CC=CC(CC(CNC(=O)C2=CC=NN2CC[NH+](C)C)C(=O)[O-])=C1	REAL300001555617	0	52	0.0	-59.85	417.04	9.25	-50.60
CC1=CC=CC(CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(=O)[O-])=C1	REAL300001555621	0	49	0.0	-58.90	364.96	9.10	-49.80
CC1=CC=CC(CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(=O)[O-])=C1	REAL300001555621	1	49	0.0	-59.67	375.17	9.11	-50.56
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300001555623	1	53	0.0	-57.96	423.30	11.00	-46.96
CC[C@@H]1[C@@H](C(=O)NCC(CC2=CC=CC(C)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300001555626	0	52	0.0	-62.55	394.88	9.48	-53.07
CC[C@@H]1[C@@H](C(=O)NCC(CC2=CC=CC(C)=C2)C(=O)[O-])CC[N@H+]1C	REAL300001555626	1	52	0.0	-56.43	388.50	10.09	-46.34
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300001555629	1	48	0.0	-54.77	383.99	9.56	-45.21
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300001555629	1	48	0.0	-48.24	379.98	10.16	-38.08
CC1=CC=CC(CC(CNC(=O)C2C[N@@H+](C)CC(C)O2)C(=O)[O-])=C1	REAL300001555635	1	50	0.0	-58.25	378.98	8.90	-49.35
CC1=CC=CC(CC(CNC(=O)C2C[N@H+](C)CC(C)O2)C(=O)[O-])=C1	REAL300001555635	1	50	0.0	-62.83	395.94	8.98	-53.85
CC1=CC=CC(CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C(=O)[O-])=C1	REAL300001555642	1	55	0.0	-48.35	422.03	10.38	-37.97
CC1=CC=CC(CC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C(=O)[O-])=C1	REAL300001555642	1	55	0.0	-53.50	431.23	10.68	-42.82
CC1=CC=CC(CC(CNC(=O)C[NH+]2CCCC2)C(=O)[O-])=C1	REAL300001555645	0	46	0.0	-55.85	362.85	8.93	-46.92
CC1=[NH+]C=CN1CC(=O)NCC(CC1=CC(C)=CC=C1)C(=O)[O-]	REAL300001555647	1	44	0.0	-55.33	366.78	9.41	-45.92
CC1=CC=CC(CC(CNC(=O)C(C)C[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300001555649	0	53	0.0	-56.00	398.75	8.60	-47.40
CC1=CC=CC(CC(CNC(=O)C[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300001555667	0	52	0.0	-56.46	400.31	10.29	-46.17
CC[N@@H+]1CCOC(C(=O)NCC(CC2=CC=CC(C)=C2)C(=O)[O-])C1	REAL300001555678	1	50	0.0	-49.19	385.42	8.73	-40.46
CC[N@H+]1CCOC(C(=O)NCC(CC2=CC=CC(C)=C2)C(=O)[O-])C1	REAL300001555678	1	50	0.0	-60.22	392.55	8.89	-51.33
CC1=CC=CC(CC(CNC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)C(=O)[O-])=C1	REAL300001555715	1	59	0.0	-64.96	444.99	11.30	-53.66
CC1=CC=CC(CC(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])=C1	REAL300001555716	0	59	0.0	-61.52	442.06	11.66	-49.86
CC1=CC=CC(CC(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])=C1	REAL300001555716	1	59	0.0	-54.73	432.78	11.75	-42.98
CC1=CC=CC(CC(CNC(=O)CCC2CCC[N@H+]2C)C(=O)[O-])=C1	REAL300001555722	0	52	0.0	-64.68	404.73	10.29	-54.39
CC1=CC=CC(CC(CNC(=O)CCC2CCC[N@@H+]2C)C(=O)[O-])=C1	REAL300001555722	1	52	0.0	-58.89	389.40	9.90	-48.99
CC1=CC=CC(CC(CNC(=O)C23CCC[NH+](CCC2)C3)C(=O)[O-])=C1	REAL300001555735	0	53	0.0	-67.23	394.78	10.00	-57.23
CC1=CC=CC(CC(CNC(=O)C2(C)CC(O)C[N@H+]2C)C(=O)[O-])=C1	REAL300001555737	0	50	0.0	-52.04	386.19	5.90	-46.14
CC1=CC=CC(CC(CNC(=O)C2(C)CC(O)C[N@@H+]2C)C(=O)[O-])=C1	REAL300001555737	1	50	0.0	-50.99	383.77	5.97	-45.02
CC1=CC=CC(CC(CNC(=O)C2CCC3CCCC[N@@H+]32)C(=O)[O-])=C1	REAL300001555738	0	53	0.0	-51.68	399.22	10.28	-41.40
CC1=CC=CC(CC(CNC(=O)C2CCC3CCCC[N@H+]32)C(=O)[O-])=C1	REAL300001555738	1	53	0.0	-52.68	405.35	10.74	-41.94
CC1=CC=CC(CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300001555745	0	56	0.0	-49.80	408.24	8.95	-40.85
CC1=CC=CC(CC(CNC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C(=O)[O-])=C1	REAL300001555750	0	59	0.0	-68.31	438.75	9.97	-58.34
CC1=CC=CC(CC(CNC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C(=O)[O-])=C1	REAL300001555750	1	59	0.0	-64.99	448.51	10.26	-54.73
CC[NH+](CC)CC(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300001555762	0	48	0.0	-54.84	373.45	9.16	-45.68
CC1=CC=CC(CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300001555764	0	55	0.0	-62.06	412.60	10.41	-51.65
CC1=CC=CC(CC(CNC(=O)C23CC[NH+](CC2)C3)C(=O)[O-])=C1	REAL300001555845	0	47	0.0	-61.00	362.44	8.33	-52.67
CCC(C(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-])[NH+](C)C	REAL300001555848	0	48	0.0	-46.79	357.85	8.86	-37.93
CC1=CC=CC(CC(CNC(=O)C23CC[N@H+](C2)CCC3)C(=O)[O-])=C1	REAL300001555856	0	50	0.0	-60.97	379.32	9.02	-51.95
CC1=CC=CC(CC(CNC(=O)C23CC[N@@H+](C2)CCC3)C(=O)[O-])=C1	REAL300001555856	1	50	0.0	-60.03	369.02	9.08	-50.95
CC1=CC=CC(CC(CNC(=O)C[NH+]2C(C)CCC2C)C(=O)[O-])=C1	REAL300001555902	0	52	0.0	-53.58	394.49	9.82	-43.76
CC1=CC=CC(CC(CNC(=O)C2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])=C1	REAL300001555903	0	52	0.0	-72.65	415.50	11.28	-61.37
CC1=CC=CC(CC(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300001555904	0	59	0.0	-63.28	458.62	12.99	-50.29
CC1=CC=CC(CC(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300001555904	1	59	0.0	-61.98	458.59	12.99	-48.99
CC1=CC=CC(CC(CNC(=O)C2([NH+](C)C)CCC2)C(=O)[O-])=C1	REAL300001555942	0	49	0.0	-55.22	368.23	9.33	-45.89
C#CC[NH+]1CCC(C(=O)NCC(CC2=CC=CC(C)=C2)C(=O)[O-])CC1	REAL300001555972	0	51	0.0	-68.11	407.12	10.66	-57.45
CCC[N@@H+]1CCCCC1C(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300001555974	0	55	0.0	-54.03	409.19	10.62	-43.41
CCC[N@H+]1CCCCC1C(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300001555974	1	55	0.0	-49.97	402.69	10.66	-39.31
CC1=CC=CC(CC(CNC(=O)C2=CC=CC=C2C[NH+](C)C)C(=O)[O-])=C1	REAL300001555975	0	52	0.0	-58.96	408.43	11.56	-47.40
CC[NH+]1CCN(CCC(=O)NCC(CC2=CC=CC(C)=C2)C(=O)[O-])CC1	REAL300001555977	0	57	0.0	-62.33	424.89	8.38	-53.95
CCN1CC[NH+](CCC(=O)NCC(CC2=CC=CC(C)=C2)C(=O)[O-])CC1	REAL300001555977	1	57	0.0	-61.93	435.96	8.45	-53.48
CC1=CC=CC(CC(CNC(=O)C[N@@H+](C)C(C)C)C(=O)[O-])=C1	REAL300001555978	0	48	0.0	-54.22	371.77	9.00	-45.22
CC1=CC=CC(CC(CNC(=O)C[N@H+](C)C(C)C)C(=O)[O-])=C1	REAL300001555978	1	48	0.0	-55.03	371.77	9.00	-46.03
CC1=CC=CC(CC(CNC(=O)C(C(C)C)[NH+]2CCCCC2)C(=O)[O-])=C1	REAL300001555979	0	58	0.0	-48.66	413.75	11.77	-36.89
CC1=CC=CC(CC(CNC(=O)C(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])=C1	REAL300001555980	1	52	0.0	-50.18	402.10	11.36	-38.82
CC1=CC=CC(CC(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300001555984	0	57	0.0	-54.59	440.44	9.28	-45.31
CC1=CC=CC(CC(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300001555984	1	57	0.0	-60.96	451.08	9.27	-51.69
CC1=CC=CC(CC(CNC(=O)CCN2C=C[NH+]=C2C(C)C)C(=O)[O-])=C1	REAL300001555989	1	53	0.0	-57.60	422.75	10.95	-46.65
CC1=CC=CC(CC(CNC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C(=O)[O-])=C1	REAL300001555991	0	55	0.0	-56.09	432.77	11.70	-44.39
CC1=CC=CC(CC(CNC(=O)C2CCC[N@@H+]2C2CCCC2)C(=O)[O-])=C1	REAL300001555997	0	56	0.0	-50.28	418.04	11.46	-38.82
CC1=CC=CC(CC(CNC(=O)C2CCC[N@H+]2C2CCCC2)C(=O)[O-])=C1	REAL300001555997	1	56	0.0	-49.39	413.38	11.25	-38.14
CC[N@H+](CC(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-])C1CC1	REAL300001555999	0	49	0.0	-53.19	385.95	9.82	-43.37
CC[N@@H+](CC(=O)NCC(CC1=CC=CC(C)=C1)C(=O)[O-])C1CC1	REAL300001555999	1	49	0.0	-55.54	378.75	9.70	-45.84
CC1=CC=CC(CC(CNC(=O)C(C(C)C)[NH+]2CC(C)OC(C)C2)C(=O)[O-])=C1	REAL300001556026	1	62	0.0	-55.47	459.88	10.99	-44.48
CC1=CC=CC(CC(CNC(=O)C(C)[NH+]2CCCCCC2)C(=O)[O-])=C1	REAL300001556027	0	55	0.0	-47.74	391.93	10.55	-37.19
CC1=CC=CC(CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C(=O)[O-])=C1	REAL300001556031	0	46	0.0	-51.15	357.15	8.90	-42.25
CC1=CC=CC(CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C(=O)[O-])=C1	REAL300001556031	1	46	0.0	-58.78	357.39	8.34	-50.44
CC1=CC=CC(CC(CNC(=O)C[NH2+]C(C)(C)C)C(=O)[O-])=C1	REAL300001556116	0	48	0.0	-55.71	376.30	7.53	-48.18
CC[NH+](CC)CC1=CC=C(C(=O)NCC(CC2=CC=CC(C)=C2)C(=O)[O-])O1	REAL300001556118	0	55	0.0	-65.80	437.21	10.97	-54.83
CC1=CC=CC(CC(CNC(=O)CCCC[NH+]2CCCC2)C(=O)[O-])=C1	REAL300001556119	0	55	0.0	-60.95	418.78	11.19	-49.76
CC1=CC=C(N2CCC(C(=O)NCC(CC3=CC=CC(C)=C3)C(=O)[O-])CC2)[NH+]=C1	REAL300001556121	1	58	0.0	-64.16	451.39	10.87	-53.29
CC1=CC=CC(CC(CNC(=O)C[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300001556122	1	52	0.0	-59.10	414.01	11.39	-47.71
CC1=CC=CC(CC(CNC(=O)C[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300001556122	1	52	0.0	-53.10	408.82	11.47	-41.63
CC1=CC=CC(CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)[O-])=C1	REAL300001556133	0	51	0.0	-55.99	384.69	10.04	-45.95
CC1=CC=CC(CC(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])=C1	REAL300001556151	1	47	0.0	-75.61	396.65	9.24	-66.37
CC1=CC=CC(CC(CNC(=O)C2=NOC(C[NH+](C)C)=C2)C(=O)[O-])=C1	REAL300001556179	1	48	0.0	-77.56	396.47	8.82	-68.74
CC1=CC=CC(CC(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1	REAL300001556183	0	59	0.0	-62.29	452.15	12.83	-49.46
CC1=CC=CC(CC(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1	REAL300001556183	1	59	0.0	-64.15	463.12	12.87	-51.28
CC1=CC=CC(CC(CNC(=O)C2CCC[N@H+]2C(C)C)C(=O)[O-])=C1	REAL300001556197	0	52	0.0	-51.35	390.15	10.07	-41.28
CC1=CC=CC(CC(CNC(=O)C2CCC[N@@H+]2C(C)C)C(=O)[O-])=C1	REAL300001556197	1	52	0.0	-53.69	396.48	9.91	-43.78
CC1=CC=CC(CC(CNC(=O)COC2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300001556220	0	53	0.0	-72.09	417.34	9.89	-62.20
CC1=CC=CC(CC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(=O)[O-])=C1	REAL300001556224	0	56	0.0	-62.68	433.59	11.55	-51.13
CCC[N@@H+]1CCCC(C(=O)NCC(CC2=CC=CC(C)=C2)C(=O)[O-])C1	REAL300001556412	0	55	0.0	-58.90	414.60	10.85	-48.05
CCC[N@H+]1CCCC(C(=O)NCC(CC2=CC=CC(C)=C2)C(=O)[O-])C1	REAL300001556412	1	55	0.0	-56.35	411.19	10.89	-45.46
CC1=CC=CC(CC(CNC(=O)C2CCC[N@H+]2CC(C)C)C(=O)[O-])=C1	REAL300001556443	0	55	0.0	-47.18	412.41	11.04	-36.14
CC1=CC=CC(CC(CNC(=O)C2CCC[N@@H+]2CC(C)C)C(=O)[O-])=C1	REAL300001556443	1	55	0.0	-55.36	413.63	10.70	-44.66
CC1=CC=CC(CC(CNC(=O)C[NH+]2CCC(CO)CC2)C(=O)[O-])=C1	REAL300001556444	0	53	0.0	-57.62	411.14	6.98	-50.64
CC1=CC=CC(CC(CNC(=O)C2CCC[N@@H+](C(C)C)C2)C(=O)[O-])=C1	REAL300001556670	0	55	0.0	-48.00	400.09	10.86	-37.14
CC1=CC=CC(CC(CNC(=O)C2CCC[N@H+](C(C)C)C2)C(=O)[O-])=C1	REAL300001556670	1	55	0.0	-58.07	414.88	10.52	-47.55
CC1=CC=CC(CC(CNC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(=O)[O-])=C1	REAL300001556671	0	49	0.0	-62.04	381.94	9.60	-52.44
CC1=CC=CC(CC(CNC(=O)C2C[N@H+](C)CC2C(F)(F)F)C(=O)[O-])=C1	REAL300001556671	1	49	0.0	-56.63	394.72	9.30	-47.33
CC1=C(C)[NH+]=C(CCC(=O)NCC(CC2=CC(C)=CC=C2)C(=O)[O-])N1	REAL300001556697	1	50	0.0	-57.84	407.58	9.08	-48.76
CC1=CC=CC(CC(CNC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(=O)[O-])=C1	REAL300001557188	0	55	0.0	-76.11	437.96	12.11	-64.00
CC1=CC=CC(CC(CNC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300001557195	0	56	0.0	-68.57	435.39	11.14	-57.43
CC1=CC=CC(CC(CNC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C(=O)[O-])=C1	REAL300001557332	0	49	0.0	-63.49	380.40	9.56	-53.93
CC1=CC=CC(CC(CNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(=O)[O-])=C1	REAL300001557336	0	55	0.0	-56.59	409.64	10.48	-46.11
CC1=CC=CC(CC(CNC(=O)C2CCC[N@@H+](CC(C)C)C2)C(=O)[O-])=C1	REAL300001557402	0	58	0.0	-57.47	432.23	11.72	-45.75
CC1=CC=CC(CC(CNC(=O)C2CCC[N@H+](CC(C)C)C2)C(=O)[O-])=C1	REAL300001557402	1	58	0.0	-57.47	432.23	11.72	-45.75
CC[N@@H+]1CCCC(C(=O)NCC(CC2=CC=CC(C)=C2)C(=O)[O-])C1	REAL300001557403	0	52	0.0	-54.65	389.69	10.14	-44.51
CC[N@H+]1CCCC(C(=O)NCC(CC2=CC=CC(C)=C2)C(=O)[O-])C1	REAL300001557403	1	52	0.0	-54.65	389.69	10.14	-44.51
CC1=CC=CC(CC(CNC(=O)C2CCC[N@@H+](C)C2)C(=O)[O-])=C1	REAL300001557408	0	49	0.0	-58.07	375.66	9.62	-48.45
CC1=CC=CC(CC(CNC(=O)C2CCC[N@H+](C)C2)C(=O)[O-])=C1	REAL300001557408	1	49	0.0	-58.07	375.66	9.62	-48.45
CC1=CC=CC(CC(CNC(=O)C2=CC=C(CN(C)C)O2)C(=O)[O-])=C1	REAL300001557410	0	49	0.0	-69.11	400.84	9.50	-59.61
CC1=CC=CC(CC(CNC(=O)C2=CC=C(C[NH+](C)C)O2)C(=O)[O-])=C1	REAL300001557410	1	49	0.0	-69.11	400.84	9.50	-59.61
CC1=CC=CC(CC(CNC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C(=O)[O-])=C1	REAL300001557416	0	58	0.0	-69.58	427.34	10.93	-58.65
CC1=CC=CC(CC(CNC(=O)C(C)(C)C2CCC[N@H+](C)C2)C(=O)[O-])=C1	REAL300001557416	1	58	0.0	-69.58	427.34	10.93	-58.65
CC1=CC=CC(CC(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(=O)[O-])=C1	REAL300001557419	0	51	0.0	-48.90	392.69	11.09	-37.81
CC1=CC=C(CC(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])C=C1	REAL300001558447	0	59	0.0	-62.28	448.50	13.11	-49.17
CC1=CC=C(CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001559024	0	56	0.0	-48.44	425.29	12.00	-36.44
CC1=CC=C(CC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001559024	1	56	0.0	-49.81	436.02	12.56	-37.25
CC1=CC=C(CC(CNC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300001559880	0	53	0.0	-61.90	406.78	10.66	-51.24
CC1=CC=C(CC(CNC(=O)C2CCC[N@@H+]2C2CC2)C(=O)[O-])C=C1	REAL300001559905	0	50	0.0	-46.69	384.94	10.39	-36.30
CC1=CC=C(CC(CNC(=O)C2CCC[N@H+]2C2CC2)C(=O)[O-])C=C1	REAL300001559905	1	50	0.0	-46.77	379.96	10.21	-36.56
CC1=[NH+]C=C2CCC(C(=O)NCC(CC3=CC=C(C)C=C3)C(=O)[O-])CN21	REAL300001559911	1	51	0.0	-58.17	405.00	10.55	-47.62
CC1=CC=C(CC(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001559912	0	59	0.0	-56.33	461.14	12.99	-43.34
CC1=CC=C(CC(CNC(=O)C2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300001559992	0	49	0.0	-52.22	360.12	9.30	-42.92
CC1=CC=C(CC(CNC(=O)C2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300001559992	1	49	0.0	-45.86	369.38	9.47	-36.39
CC1=CC=C(CC(CNC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300001559993	1	54	0.0	-61.76	398.39	7.69	-54.07
CC1=CC=C(CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300001560035	0	49	0.0	-48.21	372.76	9.43	-38.78
CC1=CC=C(CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300001560035	1	49	0.0	-55.52	370.03	9.23	-46.29
CC1=CC=C(CC(CNC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300001560122	0	49	0.0	-59.09	372.02	9.54	-49.55
CC1=CC=C(CC(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])C=C1	REAL300001560152	0	44	0.0	-60.80	357.61	11.37	-49.43
CC1=CC=C(CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])C=C1	REAL300001560188	0	58	0.0	-65.83	421.71	11.49	-54.34
CC1=CC=C(CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])C=C1	REAL300001560193	0	58	0.0	-61.51	435.80	11.39	-50.12
CC1=CC=C(CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])C=C1	REAL300001560193	1	58	0.0	-62.19	435.80	11.41	-50.78
CC1=CC=C(CC(CNC(=O)C2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300001560210	0	46	0.0	-55.24	363.34	8.81	-46.43
CC1=CC=C(CC(CNC(=O)C2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300001560210	1	46	0.0	-58.69	357.34	8.35	-50.34
CC1=CC=C(CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300001560215	1	56	0.0	-58.11	441.60	11.98	-46.13
CC1=CC=C(CC(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300001560215	1	56	0.0	-47.38	436.35	12.08	-35.30
CC1=CC=C(CC(CNC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300001560267	0	49	0.0	-59.09	372.02	9.54	-49.55
CC1=CC=C(CC(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(=O)[O-])C=C1	REAL300001560271	0	52	0.0	-70.51	426.58	10.43	-60.08
CC1=CC=C(CC(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)C(=O)[O-])C=C1	REAL300001560291	0	59	0.0	-46.43	429.04	11.58	-34.85
CC1=CC=C(CC(CNC(=O)C2CCCC[N@H+]2C2CCCC2)C(=O)[O-])C=C1	REAL300001560291	1	59	0.0	-51.91	434.95	11.61	-40.30
CC1=CC=C(CC(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C(=O)[O-])C=C1	REAL300001560292	0	60	0.0	-49.66	432.65	10.01	-39.65
CC1=[NH+]C=CN1CCCC(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300001560328	1	50	0.0	-62.17	408.48	10.71	-51.46
CC1=CC=C(CC(CNC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300001560329	1	56	0.0	-69.64	435.58	9.41	-60.23
CC[N@H+](CC1=CC=C(C(=O)NCC(CC2=CC=C(C)C=C2)C(=O)[O-])C=C1)C(C)C	REAL300001560332	0	61	0.0	-66.84	446.75	12.82	-54.02
CC[N@@H+](CC1=CC=C(C(=O)NCC(CC2=CC=C(C)C=C2)C(=O)[O-])C=C1)C(C)C	REAL300001560332	1	61	0.0	-70.51	454.85	12.47	-58.04
CC1=CC=C(CC(CNC(=O)[C@H]2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300001560335	0	46	0.0	-53.32	357.30	8.35	-44.97
CC1=CC=C(CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300001560335	1	46	0.0	-48.71	353.34	8.93	-39.78
CC1=CC=C(CC(CNC(=O)C2([NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300001560344	0	46	0.0	-55.51	353.05	9.22	-46.29
CC1=CC=C(CC(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300001560391	0	56	0.0	-63.41	442.36	12.25	-51.16
CC1=CC=C(CC(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300001560391	1	56	0.0	-55.49	432.50	12.38	-43.11
CC1=CC=C(CC(CNC(=O)C2CC[NH+](C3CCSC3)CC2)C(=O)[O-])C=C1	REAL300001560392	0	57	0.0	-61.37	427.25	11.51	-49.86
CC1=CC=C(CC(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C(=O)[O-])C=C1	REAL300001560416	0	60	0.0	-59.70	428.15	9.74	-49.96
CCC(C(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-])[NH+](CC)CC	REAL300001560420	0	54	0.0	-44.99	393.67	10.25	-34.74
CC1=CC=C(CC(CNC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001560422	0	55	0.0	-57.98	432.34	11.77	-46.21
CC1=CC=C(CC(CNC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001560422	1	55	0.0	-57.44	432.23	11.81	-45.63
CC1=CC=C(CC(CNC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])C=C1	REAL300001560455	0	51	0.0	-65.72	401.39	9.52	-56.20
CCC[NH+](CCC)CCCC(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300001560461	0	60	0.0	-64.84	459.87	12.03	-52.81
CC[N@H+](C)C(C(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300001560462	0	55	0.0	-57.44	424.71	11.75	-45.69
CC[N@@H+](C)C(C(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300001560462	1	55	0.0	-43.93	420.74	11.98	-31.95
CC1=CC=C(CC(CNC(=O)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1	REAL300001560464	1	47	0.0	-62.53	374.73	8.26	-54.27
CC1=CC=C(CC(CNC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1	REAL300001560464	1	47	0.0	-49.76	367.62	8.10	-41.66
CC[NH+](CC)C(C(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300001560466	0	58	0.0	-44.54	429.82	12.44	-32.10
CC1=CC=C(CC(CNC(=O)CN2C=C[NH+]=C2C(C)C)C(=O)[O-])C=C1	REAL300001560475	1	50	0.0	-54.61	402.99	10.53	-44.08
CC1=CC=C(CC(CNC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300001560480	1	52	0.0	-59.63	428.77	11.81	-47.82
CC1=CC=C(CC(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(=O)[O-])C=C1	REAL300001560493	0	56	0.0	-73.63	440.31	12.44	-61.19
CC1=CC=C(CC(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(=O)[O-])C=C1	REAL300001560500	0	59	0.0	-71.05	457.11	13.14	-57.91
CC1=CC=C(CC(CNC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300001560504	0	49	0.0	-52.02	386.45	9.46	-42.56
CC1=CC=C(CC(CNC(=O)CCCC[NH+](C)C)C(=O)[O-])C=C1	REAL300001560513	0	51	0.0	-62.77	392.77	10.03	-52.74
CC1=CC=C(CC(CNC(=O)C(C(C)C)[NH+](C)C)C(=O)[O-])C=C1	REAL300001560522	0	51	0.0	-46.55	375.19	9.58	-36.97
CC1=CC=C(CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001560535	0	59	0.0	-54.85	456.06	12.94	-41.91
CC1=CC=C(CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001560535	1	59	0.0	-45.84	436.64	12.87	-32.97
CC1=C(C(=O)NCC(CC2=CC=C(C)C=C2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300001560537	1	50	0.0	-77.31	413.15	9.69	-67.62
CC1=CC=C(CC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])C=C1	REAL300001560545	0	59	0.0	-73.94	457.06	13.15	-60.79
CC1=CC=C(CC(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])C=C1	REAL300001560558	1	52	0.0	-76.79	420.80	9.89	-66.90
CC1=CC=C(CC(CNC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300001560559	0	55	0.0	-72.23	428.08	12.21	-60.02
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300001560570	1	48	0.0	-50.47	380.13	8.90	-41.57
CC1=CC=C(CC(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C=C1	REAL300001560572	1	57	0.0	-52.67	441.53	11.90	-40.77
CC1=CC=C(CC(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C=C1	REAL300001560572	1	57	0.0	-55.52	444.97	11.86	-43.66
CCC[N@H+](C)CC(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300001560581	0	48	0.0	-49.94	366.67	9.30	-40.64
CCC[N@@H+](C)CC(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300001560581	1	48	0.0	-56.76	376.58	9.21	-47.55
CC1=CC=C(CC(CNC(=O)C[N@@H+](C)C2CCC2)C(=O)[O-])C=C1	REAL300001560603	0	49	0.0	-54.33	383.57	9.79	-44.54
CC1=CC=C(CC(CNC(=O)C[N@H+](C)C2CCC2)C(=O)[O-])C=C1	REAL300001560603	1	49	0.0	-55.09	383.47	9.78	-45.31
CC1=CC=C(CC(CNC(=O)C(C)[NH+]2CCSCC2)C(=O)[O-])C=C1	REAL300001560627	1	50	0.0	-51.42	384.42	9.65	-41.77
CC1=CC=C(CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])C=C1	REAL300001560633	0	54	0.0	-49.16	395.28	10.29	-38.87
CC1=CC=C(CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-])C=C1	REAL300001560633	1	54	0.0	-56.03	407.13	10.36	-45.67
CC1=CC=C(CC(CNC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001560635	0	55	0.0	-53.43	426.58	12.32	-41.11
CC1=CC=C(CC(CNC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001560635	1	55	0.0	-53.20	426.58	12.32	-40.88
COCCOCC[N@H+](C)CCC(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300001560636	0	59	0.0	-63.25	465.38	8.44	-54.81
COCCOCC[N@@H+](C)CCC(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300001560636	1	59	0.0	-58.25	455.58	8.50	-49.75
CC[C@@H](C(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-])[NH+](C)C	REAL300001560640	0	48	0.0	-49.85	361.07	8.86	-40.99
CC1=CC=C(CC(CNC(=O)CC2(O)CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300001560642	0	53	0.0	-62.57	398.02	7.97	-54.60
CC1=CC=C(CC(CNC(=O)CC2(O)CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300001560642	1	53	0.0	-62.04	407.70	8.16	-53.88
CC1=CC=C(CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300001560663	1	58	0.0	-55.20	444.51	11.24	-43.96
CC1=CC=C(CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300001560663	1	58	0.0	-49.36	431.64	11.13	-38.23
CC1=CC=C(CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300001560664	1	58	0.0	-53.63	431.56	11.02	-42.61
CC1=CC=C(CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300001560664	1	58	0.0	-54.70	441.49	11.03	-43.67
CCCCCC[N@H+](C)CC(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300001560666	0	57	0.0	-50.85	431.17	11.64	-39.21
CCCCCC[N@@H+](C)CC(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300001560666	1	57	0.0	-50.94	431.17	11.63	-39.31
CC1=CC=C(CC(CNC(=O)C23CCC[NH+]2CCC3)C(=O)[O-])C=C1	REAL300001560676	0	50	0.0	-50.32	382.18	9.79	-40.53
CC1=CC=C(CC(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])C=C1	REAL300001560684	1	44	0.0	-70.15	367.79	11.31	-58.84
CC1=CC=C(CC(CNC(=O)C[N@@H+](C)C2CCSC2)C(=O)[O-])C=C1	REAL300001560697	0	50	0.0	-60.14	396.75	10.06	-50.08
CC1=CC=C(CC(CNC(=O)C[N@H+](C)C2CCSC2)C(=O)[O-])C=C1	REAL300001560697	1	50	0.0	-61.16	396.68	10.03	-51.13
CC1=CC=C(CC(CNC(=O)CCN2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300001560714	0	60	0.0	-64.53	452.70	8.98	-55.55
CC1=CC=C(CC(CNC(=O)CC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])C=C1	REAL300001560714	1	60	0.0	-57.57	442.50	8.81	-48.76
CC1=CC=C(CC(CNC(=O)CCCN2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300001560715	0	63	0.0	-65.91	474.24	9.79	-56.12
CC1=CC=C(CC(CNC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])C=C1	REAL300001560715	1	63	0.0	-65.59	470.55	9.57	-56.02
CC1=CC=C(CC(CNC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])C=C1	REAL300001560716	0	53	0.0	-47.98	395.42	10.67	-37.31
CC1=CC=C(CC(CNC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])C=C1	REAL300001560716	1	53	0.0	-51.71	401.86	10.65	-41.06
CC1=CC=C(CC(CNC(=O)C2=CN(CC[NH+](C)C)N=C2)C(=O)[O-])C=C1	REAL300001560718	0	52	0.0	-76.21	421.66	9.30	-66.91
CC1=CC=C(CC(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(=O)[O-])C=C1	REAL300001560729	0	58	0.0	-62.73	446.94	11.26	-51.47
CC1=CC=C(CC(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(=O)[O-])C=C1	REAL300001560729	1	58	0.0	-60.29	443.45	11.30	-48.99
CC1=CC=C(CC(CNC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300001560734	1	56	0.0	-48.66	422.89	12.39	-36.27
CC1=CC=C(CC(CNC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300001560734	1	56	0.0	-52.10	425.87	12.39	-39.71
CCCC(C(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-])[NH+](C)C	REAL300001560753	0	51	0.0	-47.25	379.32	9.66	-37.59
CC1=CC=C(CC(CNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300001560754	0	59	0.0	-68.77	462.39	13.03	-55.74
CC1=CC=C(CC(CNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300001560754	1	59	0.0	-68.69	462.82	13.04	-55.65
CC1=CC=C(CC(CNC(=O)C2=NN(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300001560769	0	52	0.0	-76.34	422.03	9.31	-67.03
CC1=CC=C(CC(CNC(=O)C2=CC=NN2CC[NH+](C)C)C(=O)[O-])C=C1	REAL300001560770	0	52	0.0	-62.84	417.01	9.27	-53.57
CC1=CC=C(CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(=O)[O-])C=C1	REAL300001560774	0	49	0.0	-65.06	374.95	8.99	-56.07
CC1=CC=C(CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(=O)[O-])C=C1	REAL300001560774	1	49	0.0	-59.05	370.28	9.12	-49.93
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300001560776	1	53	0.0	-57.58	423.34	11.01	-46.57
CC[C@@H]1[C@@H](C(=O)NCC(CC2=CC=C(C)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300001560779	0	52	0.0	-62.40	394.27	9.50	-52.90
CC[C@@H]1[C@@H](C(=O)NCC(CC2=CC=C(C)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300001560779	1	52	0.0	-64.82	399.23	9.84	-54.98
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300001560782	1	48	0.0	-44.55	374.15	9.63	-34.92
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300001560782	1	48	0.0	-53.06	389.91	10.08	-42.98
CC1=CC=C(CC(CNC(=O)C2C[N@@H+](C)CC(C)O2)C(=O)[O-])C=C1	REAL300001560788	1	50	0.0	-62.48	379.32	9.04	-53.44
CC1=CC=C(CC(CNC(=O)C2C[N@H+](C)CC(C)O2)C(=O)[O-])C=C1	REAL300001560788	1	50	0.0	-56.28	386.04	9.06	-47.22
CC1=CC=C(CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C(=O)[O-])C=C1	REAL300001560795	1	55	0.0	-49.14	431.58	10.93	-38.21
CC1=CC=C(CC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C(=O)[O-])C=C1	REAL300001560795	1	55	0.0	-53.68	431.22	10.69	-42.99
CC1=CC=C(CC(CNC(=O)C[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300001560798	0	46	0.0	-56.26	361.30	8.83	-47.43
CC1=[NH+]C=CN1CC(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300001560800	1	44	0.0	-55.24	366.78	9.42	-45.82
CC1=CC=C(CC(CNC(=O)C(C)C[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300001560802	0	53	0.0	-62.59	408.81	8.54	-54.05
CC1=CC=C(CC(CNC(=O)C[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300001560820	0	52	0.0	-51.92	393.79	10.33	-41.59
CC[N@@H+]1CCOC(C(=O)NCC(CC2=CC=C(C)C=C2)C(=O)[O-])C1	REAL300001560831	1	50	0.0	-49.06	385.42	8.74	-40.32
CC[N@H+]1CCOC(C(=O)NCC(CC2=CC=C(C)C=C2)C(=O)[O-])C1	REAL300001560831	1	50	0.0	-66.23	392.51	8.90	-57.33
CC1=CC=C(CC(CNC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)C(=O)[O-])C=C1	REAL300001560868	1	59	0.0	-71.27	454.89	11.24	-60.03
CC1=CC=C(CC(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])C=C1	REAL300001560869	0	59	0.0	-53.12	432.11	11.75	-41.37
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CC1=CC=C(CC(CNC(=O)C23CCC[NH+](CCC2)C3)C(=O)[O-])C=C1	REAL300001560888	0	53	0.0	-67.37	394.74	10.01	-57.36
CC1=CC=C(CC(CNC(=O)C2(C)CC(O)C[N@H+]2C)C(=O)[O-])C=C1	REAL300001560890	0	50	0.0	-60.98	385.65	5.87	-55.11
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CC1=CC=C(CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300001560917	0	55	0.0	-58.89	402.65	10.48	-48.41
CC1=CC=C(CC(CNC(=O)C23CC[NH+](CC2)C3)C(=O)[O-])C=C1	REAL300001560998	0	47	0.0	-58.51	359.07	8.39	-50.12
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CC1=CC=C(CC(CNC(=O)C23CC[N@H+](C2)CCC3)C(=O)[O-])C=C1	REAL300001561009	0	50	0.0	-54.88	369.39	9.11	-45.77
CC1=CC=C(CC(CNC(=O)C23CC[N@@H+](C2)CCC3)C(=O)[O-])C=C1	REAL300001561009	1	50	0.0	-66.35	378.88	9.03	-57.32
CC1=CC=C(CC(CNC(=O)C[NH+]2C(C)CCC2C)C(=O)[O-])C=C1	REAL300001561055	0	52	0.0	-48.80	387.87	9.72	-39.08
CC1=CC=C(CC(CNC(=O)C2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300001561056	0	52	0.0	-74.02	415.54	11.29	-62.73
CC1=CC=C(CC(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300001561057	0	59	0.0	-56.75	448.59	13.06	-43.69
CC1=CC=C(CC(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300001561057	1	59	0.0	-62.11	458.45	12.99	-49.12
CC1=CC=C(CC(CNC(=O)C2([NH+](C)C)CCC2)C(=O)[O-])C=C1	REAL300001561095	0	49	0.0	-53.54	368.19	9.34	-44.20
C#CC[NH+]1CCC(C(=O)NCC(CC2=CC=C(C)C=C2)C(=O)[O-])CC1	REAL300001561125	0	51	0.0	-60.64	396.73	10.69	-49.95
CCC[N@@H+]1CCCCC1C(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300001561127	0	55	0.0	-50.16	399.34	10.71	-39.45
CCC[N@H+]1CCCCC1C(=O)NCC(CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300001561127	1	55	0.0	-51.44	412.11	10.82	-40.62
CC1=CC=C(CC(CNC(=O)C2=CC=CC=C2C[NH+](C)C)C(=O)[O-])C=C1	REAL300001561128	0	52	0.0	-49.46	401.91	11.60	-37.86
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CC1=CC=C(CC(CNC(=O)C(C(C)C)[NH+]2CCCCC2)C(=O)[O-])C=C1	REAL300001561132	0	58	0.0	-49.60	426.39	11.26	-38.34
CC1=CC=C(CC(CNC(=O)C(C2=CC=CC=C2)[NH+](C)C)C(=O)[O-])C=C1	REAL300001561133	1	52	0.0	-57.14	412.08	11.29	-45.85
CC1=CC=C(CC(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300001561137	0	57	0.0	-55.53	443.83	9.26	-46.27
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CC1=CC=C(CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)[O-])C=C1	REAL300001561286	0	51	0.0	-60.34	386.65	10.04	-50.30
CC1=CC=C(CC(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])C=C1	REAL300001561304	1	47	0.0	-75.36	396.69	9.24	-66.12
CC1=CC=C(CC(CNC(=O)C2=NOC(C[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300001561332	1	48	0.0	-78.70	395.50	8.77	-69.93
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CC1=CC=C(CC(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])C=C1	REAL300001561336	1	59	0.0	-58.71	449.41	12.91	-45.80
CC1=CC=C(CC(CNC(=O)C2CCC[N@H+]2C(C)C)C(=O)[O-])C=C1	REAL300001561350	0	52	0.0	-51.49	390.14	10.08	-41.41
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CC1=CC=C(CC(CNC(=O)COC2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300001561373	0	53	0.0	-71.56	417.30	9.90	-61.66
CC1=CC=C(CC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(=O)[O-])C=C1	REAL300001561377	0	56	0.0	-69.42	442.48	11.38	-58.04
CCC[N@@H+]1CCCC(C(=O)NCC(CC2=CC=C(C)C=C2)C(=O)[O-])C1	REAL300001561565	0	55	0.0	-61.31	421.11	10.84	-50.47
CCC[N@H+]1CCCC(C(=O)NCC(CC2=CC=C(C)C=C2)C(=O)[O-])C1	REAL300001561565	1	55	0.0	-62.73	421.09	10.83	-51.90
CC1=CC=C(CC(CNC(=O)C2CCC[N@H+]2CC(C)C)C(=O)[O-])C=C1	REAL300001561596	0	55	0.0	-48.80	417.05	11.07	-37.73
CC1=CC=C(CC(CNC(=O)C2CCC[N@@H+]2CC(C)C)C(=O)[O-])C=C1	REAL300001561596	1	55	0.0	-55.47	422.11	10.99	-44.48
CC1=CC=C(CC(CNC(=O)C[NH+]2CCC(CO)CC2)C(=O)[O-])C=C1	REAL300001561597	0	53	0.0	-53.37	404.62	7.02	-46.35
CC1=CC=C(CC(CNC(=O)C2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300001561823	0	55	0.0	-53.69	406.32	10.67	-43.02
CC1=CC=C(CC(CNC(=O)C2CCC[N@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300001561823	1	55	0.0	-54.80	410.03	10.80	-44.00
CC1=CC=C(CC(CNC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(=O)[O-])C=C1	REAL300001561824	0	49	0.0	-49.43	391.03	9.68	-39.75
CC1=CC=C(CC(CNC(=O)C2C[N@H+](C)CC2C(F)(F)F)C(=O)[O-])C=C1	REAL300001561824	1	49	0.0	-49.95	384.81	9.39	-40.56
CC1=C(C)[NH+]=C(CCC(=O)NCC(CC2=CC=C(C)C=C2)C(=O)[O-])N1	REAL300001561850	1	50	0.0	-57.60	407.55	9.09	-48.51
CC1=CC=C(CC(CNC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300001562341	0	55	0.0	-75.09	438.15	12.14	-62.95
CC1=CC=C(CC(CNC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300001562348	0	56	0.0	-68.67	435.38	11.17	-57.50
CC1=CC=C(CC(CNC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C(=O)[O-])C=C1	REAL300001562485	0	49	0.0	-66.98	386.86	9.53	-57.45
CC1=CC=C(CC(CNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300001562489	0	55	0.0	-63.05	403.10	10.54	-52.51
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CC1=CC=C(CC(CNC(=O)C2CCC[N@@H+](CC(C)C)C2)C(=O)[O-])C=C1	REAL300001562555	0	58	0.0	-57.54	432.36	11.72	-45.82
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CC1(C(=O)NC2CCC(C(=O)[O-])CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300001565709	0	56	0.0	-59.95	405.90	11.30	-48.65
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1CCC(C(=O)[O-])CC1	REAL300001566745	0	53	0.0	-68.03	396.81	10.72	-57.31
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C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300001566763	0	54	0.0	-82.05	420.33	9.74	-72.31
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CC(C)(C)[N@H+]1C[C@H](C(=O)NC2CCC(C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300001566812	1	52	0.0	-56.28	386.03	8.99	-47.29
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O=C([O-])C1CCC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300001567051	1	54	0.0	-80.32	407.61	10.75	-69.57
O=C([O-])C1CCC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300001567083	1	53	0.0	-76.09	393.51	10.33	-65.76
O=C([O-])C1CCC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300001567083	1	53	0.0	-59.39	387.69	10.71	-48.68
C[N@@H+]1CC(C(=O)NC2CCC(C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300001567166	0	43	0.0	-82.83	341.77	7.01	-75.82
C[N@H+]1CC(C(=O)NC2CCC(C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300001567166	1	43	0.0	-79.17	331.50	6.88	-72.29
C[NH+](C)CCC1=CC=CC(C(=O)NC2CCC(C(=O)[O-])CC2)=C1	REAL300001567598	0	49	0.0	-73.34	374.05	10.03	-63.31
C[NH+](C)CCOC1=CC=C(C(=O)NC2CCC(C(=O)[O-])CC2)C=C1	REAL300001567604	0	50	0.0	-82.38	385.77	8.56	-73.82
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CC1C[N@H+](CC2=CC=C(C(=O)NC3CCC(C(=O)[O-])CC3)C=C2)CCO1	REAL300001567685	1	54	0.0	-84.86	403.36	8.93	-75.93
CC1C[N@@H+](CC2=CC=C(C(=O)NC3CCC(C(=O)[O-])CC3)C=C2)CCO1	REAL300001567685	1	54	0.0	-85.05	403.40	8.94	-76.11
CC(C)C[N@@H+]1CCCC(C(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300001567771	0	52	0.0	-72.39	378.99	8.99	-63.40
CC(C)C[N@H+]1CCCC(C(=O)NC2CCC(C(=O)[O-])CC2)C1	REAL300001567771	1	52	0.0	-72.39	378.99	8.99	-63.40
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CC1=CC=C(C(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001569650	1	53	0.0	-51.44	417.19	11.59	-39.85
CC1=CC=C(C(CNC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300001570579	0	50	0.0	-59.80	383.55	10.09	-49.71
CC1=CC=C(C(CNC(=O)C2CCC[N@@H+]2C2CC2)C(=O)[O-])C=C1	REAL300001570608	0	47	0.0	-48.67	369.91	9.80	-38.87
CC1=CC=C(C(CNC(=O)C2CCC[N@H+]2C2CC2)C(=O)[O-])C=C1	REAL300001570608	1	47	0.0	-50.60	363.77	8.79	-41.81
CC1=[NH+]C=C2CCC(C(=O)NCC(C(=O)[O-])C3=CC=C(C)C=C3)CN21	REAL300001570614	1	48	0.0	-55.95	382.44	9.99	-45.96
CC1=CC=C(C(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001570615	0	56	0.0	-54.24	437.05	12.12	-42.12
CC1=CC=C(C(CNC(=O)C2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300001570697	0	46	0.0	-56.29	345.95	8.37	-47.92
CC1=CC=C(C(CNC(=O)C2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300001570697	1	46	0.0	-56.27	345.94	8.37	-47.90
CC1=CC=C(C(CNC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300001570698	1	51	0.0	-63.28	384.56	6.95	-56.33
CC1=CC=C(C(CNC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])C=C1	REAL300001570742	0	46	0.0	-51.47	353.27	8.70	-42.77
CC1=CC=C(C(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300001570742	1	46	0.0	-54.36	345.11	8.73	-45.63
CC1=CC=C(C(CNC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300001570789	0	59	0.0	-72.10	467.36	11.70	-60.40
CC1=CC=C(C(CNC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])C=C1	REAL300001570801	0	59	0.0	-62.29	447.05	12.59	-49.70
CC1=CC=C(C(CNC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300001570835	0	46	0.0	-65.88	357.91	8.59	-57.29
CC1=CC=C(C(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])C=C1	REAL300001570861	0	41	0.0	-63.08	342.58	10.78	-52.30
CC1=CC=C(C(CNC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])C=C1	REAL300001570895	0	55	0.0	-63.27	401.78	10.31	-52.96
CC1=CC=C(C(CNC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])C=C1	REAL300001570900	0	55	0.0	-57.54	409.72	10.72	-46.82
CC1=CC=C(C(CNC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])C=C1	REAL300001570900	1	55	0.0	-59.58	412.51	10.81	-48.77
CC1=CC=C(C(CNC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300001570918	1	56	0.0	-55.45	438.37	12.15	-43.30
CC1=CC=C(C(CNC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300001570918	1	56	0.0	-50.06	439.12	12.42	-37.64
CC1=CC=C(C(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300001570919	1	53	0.0	-50.55	417.56	11.11	-39.44
CC1=CC=C(C(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300001570919	1	53	0.0	-48.48	416.63	11.47	-37.01
CC1=CC=C(C(CNC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300001570971	0	46	0.0	-65.88	357.91	8.59	-57.29
CC1=CC=C(C(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(=O)[O-])C=C1	REAL300001570976	0	49	0.0	-67.34	400.52	9.73	-57.61
CC1=CC=C(C(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)C(=O)[O-])C=C1	REAL300001571000	0	56	0.0	-50.66	412.05	11.02	-39.64
CC1=CC=C(C(CNC(=O)C2CCCC[N@H+]2C2CCCC2)C(=O)[O-])C=C1	REAL300001571000	1	56	0.0	-50.00	405.07	11.23	-38.77
CC1=CC=C(C(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C(=O)[O-])C=C1	REAL300001571001	0	57	0.0	-61.67	417.61	9.42	-52.25
CC1=[NH+]C=CN1CCCC(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300001571034	1	47	0.0	-61.09	384.27	9.85	-51.24
CC1=CC=C(C(CNC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300001571035	1	53	0.0	-67.83	411.57	8.53	-59.30
CC[N@H+](CC1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)C=C1)C(C)C	REAL300001571038	0	58	0.0	-66.89	437.98	12.21	-54.68
CC[N@@H+](CC1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)C=C1)C(C)C	REAL300001571038	1	58	0.0	-68.82	430.80	11.61	-57.21
CC1=CC=C(C(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300001571086	0	53	0.0	-60.72	419.03	11.66	-49.06
CC1=CC=C(C(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300001571086	1	53	0.0	-60.83	418.58	11.72	-49.11
CC1=CC=C(C(CNC(=O)C2CC[NH+](C3CCSC3)CC2)C(=O)[O-])C=C1	REAL300001571087	0	54	0.0	-65.96	413.08	10.58	-55.38
CC1=CC=C(C(CNC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300001571115	1	58	0.0	-60.92	445.83	10.58	-50.34
CC1=CC=C(C(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C(=O)[O-])C=C1	REAL300001571116	0	57	0.0	-60.40	410.04	8.79	-51.61
CCC(C(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1)[NH+](CC)CC	REAL300001571120	0	51	0.0	-49.83	379.47	9.23	-40.60
CC1=CC=C(C(CNC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001571122	0	52	0.0	-52.42	408.29	10.91	-41.51
CC1=CC=C(C(CNC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001571122	1	52	0.0	-52.46	408.25	10.91	-41.55
CC1=CC=C(C(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300001571134	0	59	0.0	-63.35	456.04	13.34	-50.01
CC1=CC=C(C(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300001571134	1	59	0.0	-64.91	456.95	12.99	-51.92
CC1=CC=C(C(CNC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])C=C1	REAL300001571157	0	48	0.0	-70.84	387.25	8.58	-62.26
CCC[NH+](CCC)CCCC(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300001571166	0	57	0.0	-62.73	435.86	11.16	-51.57
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CC[N@H+](C)C(C(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1)C1=CC=CC=C1	REAL300001571168	0	52	0.0	-47.49	405.82	11.10	-36.39
CC[N@@H+](C)C(C(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1)C1=CC=CC=C1	REAL300001571168	1	52	0.0	-49.50	403.75	11.27	-38.23
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CC1=CC=C(C(CNC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1	REAL300001571170	1	44	0.0	-60.89	351.49	7.67	-53.22
CC[NH+](CC)C(C(=O)NCC(C(=O)[O-])C1=CC=C(C)C=C1)C1=CC=CC=C1	REAL300001571173	0	55	0.0	-52.97	412.69	11.45	-41.52
CC1=CC=C(C(CNC(=O)CN2C=C[NH+]=C2C(C)C)C(=O)[O-])C=C1	REAL300001571182	1	47	0.0	-52.08	378.97	9.67	-42.41
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CC1=CC=C(C(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(=O)[O-])C=C1	REAL300001571200	0	53	0.0	-72.07	416.26	11.58	-60.49
CC1=CC=C(C(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(=O)[O-])C=C1	REAL300001571208	0	56	0.0	-68.68	432.13	12.63	-56.05
CC1=CC=C(C(CNC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300001571215	0	46	0.0	-61.51	365.90	8.99	-52.52
CC1=CC=C(C(CNC(=O)CCCC[NH+](C)C)C(=O)[O-])C=C1	REAL300001571225	0	48	0.0	-66.73	378.67	9.08	-57.65
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CC1=CC=C(C(CNC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C=C1	REAL300001571236	1	57	0.0	-69.64	441.72	11.70	-57.94
CC1=CC=C(C(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300001571248	0	56	0.0	-51.94	432.77	12.36	-39.58
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CC1=CC=C(C(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])C=C1	REAL300001571272	1	49	0.0	-73.56	396.71	9.03	-64.53
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CC1=CC=C(C(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])C=C1	REAL300001572082	0	56	0.0	-61.35	433.92	12.30	-49.05
CC1=CC=C(C(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])C=C1	REAL300001572082	1	56	0.0	-66.09	439.87	12.29	-53.80
CC1=CC=C(C(CNC(=O)C2CCC[N@H+]2C(C)C)C(=O)[O-])C=C1	REAL300001572098	0	49	0.0	-46.67	363.01	9.42	-37.25
CC1=CC=C(C(CNC(=O)C2CCC[N@@H+]2C(C)C)C(=O)[O-])C=C1	REAL300001572098	1	49	0.0	-50.31	371.20	9.40	-40.91
CC1=CC=C(C(CNC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300001572106	0	57	0.0	-74.12	454.90	11.77	-62.35
CC1=CC=C(C(CNC(=O)COC2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300001572125	0	50	0.0	-69.30	392.36	9.39	-59.91
CC1=CC=C(C(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(=O)[O-])C=C1	REAL300001572130	0	53	0.0	-65.69	418.56	10.97	-54.72
CCC[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)C1	REAL300001572329	0	52	0.0	-53.28	390.78	10.16	-43.12
CCC[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)C1	REAL300001572329	1	52	0.0	-58.80	396.16	10.31	-48.49
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CC1=CC=C(C(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300001572514	1	56	0.0	-49.27	428.01	12.35	-36.92
CC1=CC=C(C(CNC(=O)C2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300001572605	0	52	0.0	-52.34	385.94	9.93	-42.41
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CC1=CC=C(C(CNC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(=O)[O-])C=C1	REAL300001572606	0	46	0.0	-65.10	377.69	9.01	-56.09
CC1=CC=C(C(CNC(=O)C2C[N@H+](C)CC2C(F)(F)F)C(=O)[O-])C=C1	REAL300001572606	1	46	0.0	-65.44	370.68	8.45	-56.99
CC1=C(C)[NH+]=C(CCC(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)N1	REAL300001572631	1	47	0.0	-55.21	384.33	8.51	-46.70
CC1=CC=C(C(CNC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300001573142	0	52	0.0	-73.28	413.95	11.26	-62.02
CC1=CC=C(C(CNC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300001573150	0	53	0.0	-70.83	419.24	10.38	-60.45
CC1=CC=C(C(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])C=C1	REAL300001573248	0	59	0.0	-65.15	453.80	13.16	-51.99
CC1=CC=C(C(CNC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C(=O)[O-])C=C1	REAL300001573250	1	57	0.0	-75.12	438.81	10.59	-64.53
CC1=CC=C(C(CNC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C(=O)[O-])C=C1	REAL300001573250	1	57	0.0	-75.66	439.65	10.89	-64.77
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CC1=CC=C(C(CNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300001573299	0	52	0.0	-53.32	384.71	9.98	-43.34
CC1=CC=C(C(CNC(=O)C2CCC[N@@H+](CC(C)C)C2)C(=O)[O-])C=C1	REAL300001573368	0	55	0.0	-54.66	408.20	10.84	-43.82
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CC[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)C1	REAL300001573369	0	49	0.0	-60.02	375.54	9.22	-50.80
CC[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=C(C)C=C2)C1	REAL300001573369	1	49	0.0	-60.02	375.54	9.22	-50.80
CC1=CC=C(C(CNC(=O)C2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300001573373	0	46	0.0	-55.09	351.58	8.77	-46.32
CC1=CC=C(C(CNC(=O)C2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300001573373	1	46	0.0	-55.09	351.58	8.77	-46.32
CC1=CC=C(C(CNC(=O)C2=CC=C(CN(C)C)O2)C(=O)[O-])C=C1	REAL300001573375	0	46	0.0	-66.40	376.99	9.10	-57.30
CC1=CC=C(C(CNC(=O)C2=CC=C(C[NH+](C)C)O2)C(=O)[O-])C=C1	REAL300001573375	1	46	0.0	-66.40	376.99	9.10	-57.30
CC1=CC=C(C(CNC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300001573381	0	55	0.0	-68.58	404.10	10.35	-58.23
CC1=CC=C(C(CNC(=O)C(C)(C)C2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300001573381	1	55	0.0	-68.58	404.10	10.35	-58.23
CC1=CC=C(C(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(=O)[O-])C=C1	REAL300001573384	0	48	0.0	-51.78	377.64	9.63	-42.15
O=C([O-])C1CCCCN1C(=O)C1=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=CC=C1	REAL300001574072	0	58	0.0	-102.52	432.76	11.65	-90.87
O=C([O-])C1CCCCN1C(=O)C1=CC=CC(NC(=O)C2CCC[N@@H+]2C2CC2)=C1	REAL300001574084	1	55	0.0	-84.25	417.82	10.47	-73.78
O=C([O-])C1CCCCN1C(=O)C1=CC=CC(NC(=O)C2CCC[N@H+]2C2CC2)=C1	REAL300001574084	1	55	0.0	-90.16	415.33	10.42	-79.74
C[NH+](C)CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574116	1	47	0.0	-85.54	365.38	8.56	-76.98
C[N@@H+]1CCCCC1C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574117	1	54	0.0	-94.84	399.36	10.15	-84.69
C[N@H+]1CCCCC1C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574117	1	54	0.0	-91.32	388.65	9.97	-81.35
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574134	1	54	0.0	-85.01	405.33	10.41	-74.60
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574134	1	54	0.0	-89.58	397.66	9.79	-79.79
C[NH+]1CCC(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)CC1	REAL300001574151	0	54	0.0	-101.07	407.10	10.09	-90.98
O=C([O-])C1CCCCN1C(=O)C1=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=CC=C1	REAL300001574168	0	49	0.0	-93.73	393.65	12.17	-81.56
C[N@@H+]1CCCC1C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574192	1	51	0.0	-90.74	381.73	9.50	-81.24
C[N@H+]1CCCC1C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574192	1	51	0.0	-92.51	382.49	9.55	-82.96
C[NH+]1CCC(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)CC1	REAL300001574219	0	54	0.0	-101.07	407.10	10.09	-90.98
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574240	1	55	0.0	-84.92	436.35	11.47	-73.45
C[C@@H](C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1)[NH+](C)C	REAL300001574244	0	50	0.0	-95.66	377.53	9.40	-86.26
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574245	1	51	0.0	-87.66	386.01	9.14	-78.52
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574245	1	51	0.0	-88.68	388.07	9.51	-79.17
C[C@H](C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1)[NH+](C)C	REAL300001574249	0	50	0.0	-89.47	383.52	8.94	-80.53
C[NH+](C)C1(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)CC1	REAL300001574257	1	51	0.0	-85.76	391.29	9.86	-75.90
CCC(C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1)[NH+](CC)CC	REAL300001574304	0	59	0.0	-87.27	425.78	10.22	-77.05
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574321	1	55	0.0	-91.16	428.20	11.16	-80.00
C[NH+](C)CC1(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)CC1	REAL300001574328	0	54	0.0	-86.74	409.77	10.10	-76.64
C[NH+](C)CCCCC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574332	0	56	0.0	-89.52	430.74	10.71	-78.81
CC(C)C(C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1)[NH+](C)C	REAL300001574341	0	56	0.0	-81.97	417.37	10.54	-71.43
CCC[N@H+](C)CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574355	0	53	0.0	-97.75	401.76	9.81	-87.94
CCC[N@@H+](C)CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574355	1	53	0.0	-95.33	401.88	9.84	-85.49
C[N@H+](CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1)C1CCC1	REAL300001574365	0	54	0.0	-95.02	408.64	10.39	-84.63
C[N@@H+](CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1)C1CCC1	REAL300001574365	1	54	0.0	-93.07	408.89	10.43	-82.64
C[N@H+](CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1)CC(C)(C)C	REAL300001574374	0	59	0.0	-91.77	428.68	10.82	-80.95
C[N@@H+](CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1)CC(C)(C)C	REAL300001574374	1	59	0.0	-89.46	434.48	10.90	-78.56
CC[C@@H](C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1)[NH+](C)C	REAL300001574376	0	53	0.0	-85.48	396.71	9.39	-76.09
O=C([O-])C1CCCCN1C(=O)C1=CC=CC(NC(=O)C23CCC[NH+]2CCC3)=C1	REAL300001574400	0	55	0.0	-90.00	409.85	10.51	-79.49
O=C([O-])C1CCCCN1C(=O)C1=CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=CC=C1	REAL300001574406	1	49	0.0	-97.01	396.31	12.10	-84.91
O=C([O-])C1CCCCN1C(=O)C1=CC=CC(NC(=O)C2CCCC3CCC[N@@H+]32)=C1	REAL300001574421	0	58	0.0	-85.48	428.04	11.25	-74.23
O=C([O-])C1CCCCN1C(=O)C1=CC=CC(NC(=O)C2CCCC3CCC[N@H+]32)=C1	REAL300001574421	1	58	0.0	-86.39	419.25	11.35	-75.04
CCCC(C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1)[NH+](C)C	REAL300001574433	0	56	0.0	-93.41	415.05	10.08	-83.33
C[C@@H]1[C@H](C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)CC[N@@H+]1C	REAL300001574440	0	54	0.0	-92.17	392.89	9.56	-82.61
C[C@@H]1[C@H](C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)CC[N@H+]1C	REAL300001574440	1	54	0.0	-93.33	405.61	10.23	-83.10
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)CC[N@@H+]1C	REAL300001574443	0	57	0.0	-90.62	422.31	10.25	-80.37
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)CC[N@H+]1C	REAL300001574443	1	57	0.0	-94.09	428.75	10.52	-83.57
CC1C[N@H+](C)CC(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)O1	REAL300001574448	1	55	0.0	-112.71	408.73	9.64	-103.07
CC1C[N@@H+](C)CC(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)O1	REAL300001574448	1	55	0.0	-112.81	415.15	9.46	-103.35
O=C([O-])C1CCCCN1C(=O)C1=CC(NC(=O)C[NH+]2CCCC2)=CC=C1	REAL300001574451	1	51	0.0	-99.03	381.32	9.52	-89.51
CC1=[NH+]C=CN1CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574453	1	49	0.0	-92.09	391.97	10.02	-82.07
CC1CC[NH+](CC(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)CC1	REAL300001574469	1	57	0.0	-95.87	427.38	10.90	-84.97
CC[N@@H+]1CCOC(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)C1	REAL300001574472	1	55	0.0	-116.29	410.55	9.48	-106.81
CC[N@H+]1CCOC(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)C1	REAL300001574472	1	55	0.0	-104.51	411.87	9.62	-94.89
C[N@@H+]1CCCC1CCC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574484	0	57	0.0	-102.61	430.97	11.29	-91.32
C[N@H+]1CCCC1CCC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574484	1	57	0.0	-86.67	429.91	10.57	-76.10
O=C([O-])C1CCCCN1C(=O)C1=CC=CC(NC(=O)C23CCC[NH+](CCC2)C3)=C1	REAL300001574489	0	58	0.0	-86.14	422.91	10.74	-75.40
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574490	1	55	0.0	-91.83	412.34	6.46	-85.37
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574490	1	55	0.0	-98.78	410.97	6.72	-92.06
O=C([O-])C1CCCCN1C(=O)C1=CC=CC(NC(=O)C2CCC3CCCC[N@@H+]32)=C1	REAL300001574491	0	58	0.0	-88.61	429.23	11.12	-77.49
O=C([O-])C1CCCCN1C(=O)C1=CC=CC(NC(=O)C2CCC3CCCC[N@H+]32)=C1	REAL300001574491	1	58	0.0	-87.31	429.97	11.27	-76.04
CC[NH+](CC)CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574498	0	53	0.0	-86.84	402.77	9.71	-77.13
O=C([O-])C1CCCCN1C(=O)C1=CC=CC(NC(=O)C23CC[NH+](CC2)C3)=C1	REAL300001574530	0	52	0.0	-89.00	397.00	9.07	-79.93
CCC(C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1)[NH+](C)C	REAL300001574533	0	53	0.0	-87.91	396.21	9.26	-78.65
O=C([O-])C1CCCCN1C(=O)C1=CC=CC(NC(=O)C23CC[N@H+](C2)CCC3)=C1	REAL300001574535	0	55	0.0	-98.91	400.16	9.75	-89.16
O=C([O-])C1CCCCN1C(=O)C1=CC=CC(NC(=O)C23CC[N@@H+](C2)CCC3)=C1	REAL300001574535	1	55	0.0	-98.72	405.43	10.00	-88.72
CC1CCC(C)[NH+]1CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574556	0	57	0.0	-86.41	427.97	10.56	-75.85
C[NH+](C)C1(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)CCC1	REAL300001574572	0	54	0.0	-107.69	394.45	10.49	-97.20
C#CC[NH+]1CCC(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)CC1	REAL300001574580	0	56	0.0	-101.25	431.78	11.24	-90.01
CC(C)[N@H+](C)CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574581	0	53	0.0	-97.63	391.76	9.69	-87.94
CC(C)[N@@H+](C)CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574581	1	53	0.0	-92.54	397.07	9.62	-82.92
CC[N@H+](CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1)C1CC1	REAL300001574589	0	54	0.0	-91.22	411.46	10.55	-80.67
CC[N@@H+](CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1)C1CC1	REAL300001574589	1	54	0.0	-90.43	409.68	10.01	-80.42
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574597	1	51	0.0	-92.57	389.81	9.80	-82.77
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574597	1	51	0.0	-97.51	378.30	9.12	-88.39
CC(C)(C)[NH2+]CC(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574628	0	53	0.0	-83.70	404.33	8.27	-75.43
CC(C)[C@@H](C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1)[NH+](C)C	REAL300001574634	0	56	0.0	-89.23	415.79	10.39	-78.84
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574658	0	57	0.0	-91.48	420.39	10.00	-81.48
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=CC(C(=O)N2CCCCC2C(=O)[O-])=C1	REAL300001574658	1	57	0.0	-83.66	415.08	10.73	-72.93
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)N1	REAL300001574822	1	55	0.0	-83.81	436.13	9.87	-73.94
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)C1	REAL300001575044	0	54	0.0	-102.37	405.32	10.21	-92.16
CC[N@@H+]1CCCC(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)C1	REAL300001575070	0	57	0.0	-96.10	426.63	11.05	-85.05
CC[N@H+]1CCCC(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)C1	REAL300001575070	1	57	0.0	-89.36	412.31	10.98	-78.38
C[N@@H+]1CCCC(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)C1	REAL300001575074	0	54	0.0	-97.33	403.07	10.17	-87.16
C[N@H+]1CCCC(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)C1	REAL300001575074	1	54	0.0	-98.30	400.94	10.16	-88.14
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(C(=O)N3CCCCC3C(=O)[O-])=C2)O1	REAL300001575076	1	54	0.0	-96.64	424.69	10.12	-86.52
O=C([O-])C1CCCCN1C(=O)C1=CC=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300001575079	1	56	0.0	-92.25	421.52	11.39	-80.86
O=C([O-])C1CCCCN1C(=O)C1=CC=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=C1	REAL300001575079	1	56	0.0	-89.16	417.39	10.95	-78.21
C[C@@H](NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001576800	1	40	0.0	-50.09	329.15	7.53	-42.56
C[C@@H](NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001576800	1	40	0.0	-53.89	335.10	8.02	-45.87
CC1=NC(C[NH+]2CCC(C(=O)N[C@H](C)C(=O)[O-])CC2)=CS1	REAL300001576854	1	42	0.0	-63.95	343.10	5.86	-58.09
C[C@@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001576876	0	46	0.0	-68.26	368.97	7.58	-60.68
C[C@@H](NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001576881	0	46	0.0	-71.55	369.77	9.92	-61.63
C[C@@H](NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001576881	1	46	0.0	-70.81	369.40	9.96	-60.85
C[C@@H](NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001576882	0	46	0.0	-59.42	348.63	8.47	-50.95
C[C@@H](NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001576901	0	43	0.0	-59.62	350.23	8.16	-51.46
C[C@@H](NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001576901	1	43	0.0	-56.28	351.33	8.39	-47.89
C[C@@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001576922	1	43	0.0	-53.45	330.20	7.92	-45.53
C[C@@H](NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001576922	1	43	0.0	-51.94	339.93	8.04	-43.90
C[C@@H](NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300001576954	0	46	0.0	-70.51	372.34	7.66	-62.85
C[C@@H](NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300001576991	1	45	0.0	-60.15	351.45	5.99	-54.16
C[C@@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001576996	0	46	0.0	-55.19	352.30	9.10	-46.09
C[C@@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001576996	1	46	0.0	-56.32	352.28	9.10	-47.22
C[C@@H](NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300001577020	1	44	0.0	-51.09	343.17	4.82	-46.27
CCN1CCC([NH+]2CCC(C(=O)N[C@H](C)C(=O)[O-])CC2)CC1	REAL300001577028	0	51	0.0	-61.58	364.73	5.42	-56.16
C[C@@H](NC(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001577029	0	50	0.0	-65.32	410.82	11.45	-53.87
C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001577029	1	50	0.0	-68.69	412.98	11.39	-57.30
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N[C@H](C)C(=O)[O-])=C1	REAL300001577030	0	53	0.0	-67.43	417.11	11.29	-56.14
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N[C@H](C)C(=O)[O-])=C1	REAL300001577030	1	53	0.0	-65.39	417.81	11.53	-53.86
C[C@@H](NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300001577034	1	47	0.0	-72.23	367.58	7.24	-64.99
C[C@@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001577041	1	44	0.0	-69.35	342.46	7.31	-62.04
C[C@@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001577041	1	44	0.0	-69.12	349.25	7.36	-61.76
C[C@@H](NC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001577053	0	53	0.0	-63.53	409.04	11.07	-52.46
C[C@@H](NC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001577053	1	53	0.0	-64.55	409.80	10.96	-53.59
C[C@@H](NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300001577055	0	50	0.0	-58.72	371.91	9.38	-49.34
C[C@@H](NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300001577055	1	50	0.0	-60.62	379.10	9.66	-50.96
CC(C(=O)N[C@H](C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001577060	0	49	0.0	-53.02	373.11	9.31	-43.71
C[C@@H](NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001577073	0	48	0.0	-66.22	369.21	6.97	-59.25
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@H](C)C(=O)[O-])CC2)=C1	REAL300001577083	0	48	0.0	-62.20	368.80	6.87	-55.33
C[C@@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001577084	0	45	0.0	-62.90	347.20	6.13	-56.77
C[C@@H](NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001577113	0	43	0.0	-61.59	335.88	8.33	-53.26
C[C@@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001577113	1	43	0.0	-62.52	342.11	8.12	-54.40
C[C@@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001577114	0	44	0.0	-62.86	345.46	5.58	-57.28
C[C@@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001577133	0	48	0.0	-69.61	368.21	6.87	-62.74
C[C@@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001577133	1	48	0.0	-69.06	368.05	6.74	-62.32
CC(C)[N@@H+]1CCC(C(=O)N[C@H](C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001577135	0	49	0.0	-62.03	357.30	6.12	-55.91
CC(C)[N@H+]1CCC(C(=O)N[C@H](C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001577135	1	49	0.0	-64.07	373.29	6.84	-57.23
C[C@@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300001577138	0	45	0.0	-65.23	351.74	5.74	-59.49
C[C@@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300001577139	0	45	0.0	-68.39	350.49	5.60	-62.79
C[C@@H](NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300001577139	1	45	0.0	-71.46	351.14	5.63	-65.83
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300001577140	0	46	0.0	-68.76	358.05	7.47	-61.29
C[C@@H](NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001577161	0	47	0.0	-73.09	366.30	5.49	-67.60
CC[NH+](CC)C(C(=O)N[C@H](C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300001577192	0	45	0.0	-51.70	353.85	8.02	-43.68
C[C@@H](NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001577212	1	41	0.0	-73.87	327.85	6.76	-67.11
C[C@@H](NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001577212	1	41	0.0	-73.12	327.75	6.77	-66.35
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H](C)C(=O)[O-])C=C2)CC1	REAL300001577231	0	48	0.0	-69.65	360.76	6.74	-62.91
C[C@@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001577252	0	44	0.0	-71.12	357.40	7.30	-63.82
C[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001577267	0	42	0.0	-55.70	328.76	6.04	-49.66
C[C@@H](NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001577267	1	42	0.0	-50.33	327.36	6.14	-44.19
C[C@@H](NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001577338	0	44	0.0	-56.95	343.78	8.32	-48.63
C[C@@H](NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001577338	1	44	0.0	-57.72	344.55	8.38	-49.34
C[C@@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001577352	1	43	0.0	-50.93	339.68	8.09	-42.84
C[C@@H](NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001577352	1	43	0.0	-53.60	330.53	7.88	-45.72
C[C@@H](NC(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001577527	0	51	0.0	-70.00	400.29	8.04	-61.96
C[C@@H](NC(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001577527	1	51	0.0	-68.77	397.08	8.09	-60.68
C[C@@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001577541	0	46	0.0	-61.17	354.36	8.81	-52.36
C[C@@H](NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001577542	1	44	0.0	-72.30	340.10	6.54	-65.76
C[C@@H](NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001577542	1	44	0.0	-72.41	340.05	6.53	-65.88
C[C@@H](NC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001577565	0	52	0.0	-50.61	375.90	9.22	-41.39
C[C@@H](NC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001577565	1	52	0.0	-65.10	390.52	9.32	-55.78
O=C([O-])C1=CSC(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300001578891	0	46	0.0	-78.78	382.48	7.88	-70.90
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O=C([O-])C1=CSC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300001579646	1	43	0.0	-70.31	365.26	7.31	-63.00
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CC(C(=O)NCC1=NC(C(=O)[O-])=CS1)[NH+]1CCCCCC1	REAL300001581814	0	42	0.0	-69.35	325.87	5.33	-64.02
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C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=NC(C(=O)[O-])=CS3)=CC=C1N2	REAL300001581849	1	44	0.0	-83.11	374.53	6.55	-76.56
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=NC(C(=O)[O-])=CS2)O1	REAL300001581907	0	42	0.0	-73.50	361.58	5.83	-67.67
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CC1=CC=C(N2CCC(C(=O)NCC3=NC(C(=O)[O-])=CS3)CC2)[NH+]=C1	REAL300001581910	1	45	0.0	-71.61	375.42	5.72	-65.89
C[N@H+](CC(=O)NCC1=NC(C(=O)[O-])=CS1)CC1=CC=CC=C1	REAL300001581911	1	39	0.0	-75.12	338.03	6.24	-68.88
C[N@@H+](CC(=O)NCC1=NC(C(=O)[O-])=CS1)CC1=CC=CC=C1	REAL300001581911	1	39	0.0	-75.44	338.04	6.24	-69.20
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3=NC(C(=O)[O-])=CS3)C=C2)CC1	REAL300001581915	0	51	0.0	-79.76	407.55	6.50	-73.26
O=C([O-])C1=CSC(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)=N1	REAL300001581930	1	34	0.0	-81.97	320.68	4.09	-77.88
C[NH+](C)CC1=CC(C(=O)NCC2=NC(C(=O)[O-])=CS2)=NO1	REAL300001581959	1	35	0.0	-82.58	319.48	3.62	-78.96
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NC(C(=O)[O-])=CS1	REAL300001581964	0	46	0.0	-80.37	386.08	7.63	-72.74
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NC(C(=O)[O-])=CS1	REAL300001581964	1	46	0.0	-76.18	383.37	7.70	-68.48
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2=NC(C(=O)[O-])=CS2)C=C1	REAL300001581988	0	47	0.0	-80.17	403.86	7.12	-73.05
C[NH+]1CCC(OCC(=O)NCC2=NC(C(=O)[O-])=CS2)CC1	REAL300001582005	0	40	0.0	-79.28	341.33	4.74	-74.54
O=C([O-])C1=CSC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=N1	REAL300001582011	0	43	0.0	-76.08	367.53	6.33	-69.75
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2=NC(C(=O)[O-])=CS2)[C@@H](C(F)(F)F)C1	REAL300001582052	0	45	0.0	-77.50	375.38	5.84	-71.66
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2=NC(C(=O)[O-])=CS2)[C@@H](C(F)(F)F)C1	REAL300001582052	1	45	0.0	-75.47	374.25	5.93	-69.54
CCC[N@@H+]1CCCC(C(=O)NCC2=NC(C(=O)[O-])=CS2)C1	REAL300001582196	0	42	0.0	-72.11	345.13	5.66	-66.45
CCC[N@H+]1CCCC(C(=O)NCC2=NC(C(=O)[O-])=CS2)C1	REAL300001582196	1	42	0.0	-73.09	345.12	5.66	-67.43
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=NC(C(=O)[O-])=CS1	REAL300001582229	0	42	0.0	-67.08	340.34	5.30	-61.78
CC(C)C[N@H+]1CCCC1C(=O)NCC1=NC(C(=O)[O-])=CS1	REAL300001582229	1	42	0.0	-70.13	335.34	5.92	-64.21
O=C([O-])C1=CSC(CNC(=O)C[NH+]2CCC(CO)CC2)=N1	REAL300001582232	1	40	0.0	-72.71	335.17	1.83	-70.88
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O=C([O-])C1=CSC(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=N1	REAL300001582329	1	47	0.0	-80.42	392.25	8.07	-72.35
CC(C)[N@@H+]1CCCC(C(=O)NCC2=NC(C(=O)[O-])=CS2)C1	REAL300001582456	0	42	0.0	-70.57	340.29	5.44	-65.13
CC(C)[N@H+]1CCCC(C(=O)NCC2=NC(C(=O)[O-])=CS2)C1	REAL300001582456	1	42	0.0	-71.10	340.28	5.44	-65.66
C[N@@H+]1CC(C(=O)NCC2=NC(C(=O)[O-])=CS2)C(C(F)(F)F)C1	REAL300001582457	0	36	0.0	-74.61	325.32	4.40	-70.21
C[N@H+]1CC(C(=O)NCC2=NC(C(=O)[O-])=CS2)C(C(F)(F)F)C1	REAL300001582457	1	36	0.0	-75.68	325.89	4.41	-71.27
CC1=C(C)[NH+]=C(CCC(=O)NCC2=NC(C(=O)[O-])=CS2)N1	REAL300001582483	1	37	0.0	-68.50	331.61	3.94	-64.56
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=NC(C(=O)[O-])=CS2)=C1	REAL300001582965	0	42	0.0	-79.21	362.02	6.97	-72.24
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=NC(C(=O)[O-])=CS2)C=C1	REAL300001582972	0	43	0.0	-80.59	369.32	5.92	-74.67
O=C([O-])C1=CSC(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300001583061	0	49	0.0	-77.04	401.10	8.59	-68.45
CC1C[N@H+](CC2=CC=C(C(=O)NCC3=NC(C(=O)[O-])=CS3)C=C2)CCO1	REAL300001583063	1	47	0.0	-81.59	386.89	6.31	-75.28
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=NC(C(=O)[O-])=CS3)C=C2)CCO1	REAL300001583063	1	47	0.0	-81.75	386.94	6.31	-75.44
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=NC(C(=O)[O-])=CS2)CC1	REAL300001583108	0	42	0.0	-65.95	333.66	5.34	-60.61
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=NC(C(=O)[O-])=CS2)C1	REAL300001583175	0	45	0.0	-72.17	362.53	6.36	-65.81
CC(C)C[N@H+]1CCCC(C(=O)NCC2=NC(C(=O)[O-])=CS2)C1	REAL300001583175	1	45	0.0	-72.17	362.53	6.36	-65.81
CN(C)CC1=CC=C(C(=O)NCC2=NC(C(=O)[O-])=CS2)O1	REAL300001583181	0	36	0.0	-76.54	325.96	4.45	-72.09
C[NH+](C)CC1=CC=C(C(=O)NCC2=NC(C(=O)[O-])=CS2)O1	REAL300001583181	1	36	0.0	-76.54	325.96	4.45	-72.09
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=NC(C(=O)[O-])=CS2)C1	REAL300001583187	0	45	0.0	-76.38	351.38	5.77	-70.61
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=NC(C(=O)[O-])=CS2)C1	REAL300001583187	1	45	0.0	-76.38	351.38	5.77	-70.61
O=C([O-])C1=CSC(CNC(=O)C23CC(C2)CN3C2CC2)=N1	REAL300001583190	0	38	0.0	-66.12	318.32	5.26	-60.86
O=C([O-])C1=CSC(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)=N1	REAL300001583190	1	38	0.0	-66.29	319.41	5.98	-60.31
O=C([O-])C1=CSC(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)=N1	REAL300001583190	1	38	0.0	-66.29	319.41	5.98	-60.31
O=C([O-])C(CNC(=O)C1CC[NH+](C2CC2)CC1)CC1=CC2=CC=CC=C2C=C1	REAL300001584388	0	56	0.0	-60.90	421.59	12.32	-48.58
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CC1)CC1=CC2=CC=CC=C2C=C1	REAL300001584408	0	53	0.0	-48.32	407.94	11.42	-36.90
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CC1)CC1=CC2=CC=CC=C2C=C1	REAL300001584408	1	53	0.0	-54.17	414.45	11.70	-42.47
CC1=[NH+]C=C2CCC(C(=O)NCC(CC3=CC4=CC=CC=C4C=C3)C(=O)[O-])CN21	REAL300001584412	1	54	0.0	-61.13	429.54	12.13	-49.00
C[NH+](C)CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584456	0	45	0.0	-59.17	362.23	9.39	-49.78
C[N@@H+]1CCCCC1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584457	0	52	0.0	-60.11	394.69	10.81	-49.30
C[N@H+]1CCCCC1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584457	1	52	0.0	-54.01	397.41	11.01	-43.00
CC(C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300001584458	1	57	0.0	-62.65	425.30	9.30	-53.35
C[N@@H+]1CCCC[C@H]1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584487	0	52	0.0	-53.40	404.00	10.97	-42.43
C[N@H+]1CCCC[C@H]1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584487	1	52	0.0	-62.13	394.54	10.81	-51.32
C[NH+]1CCC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300001584528	0	52	0.0	-63.05	396.63	11.12	-51.93
O=C([O-])C(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)CC1=CC2=CC=CC=C2C=C1	REAL300001584554	0	47	0.0	-67.74	392.10	12.88	-54.86
C[NH+](C)CC1(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CCCCC1	REAL300001584573	0	61	0.0	-51.29	446.57	13.04	-38.25
C[N@H+](CCC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])C1CCCCC1	REAL300001584577	0	61	0.0	-65.08	460.32	12.99	-52.09
C[N@@H+](CCC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])C1CCCCC1	REAL300001584577	1	61	0.0	-57.23	450.55	13.07	-44.16
C[N@@H+]1CCCC1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584586	0	49	0.0	-53.82	381.47	10.42	-43.40
C[N@H+]1CCCC1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584586	1	49	0.0	-54.42	372.14	10.01	-44.41
C[NH+]1CCC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300001584625	0	52	0.0	-63.05	396.63	11.12	-51.93
CC1=[NH+]C=CN1CCCC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584657	1	53	0.0	-65.12	432.88	12.29	-52.83
O=C([O-])C(CNC(=O)CCCC[NH+]1CCOCC1)CC1=CC2=CC=CC=C2C=C1	REAL300001584658	1	59	0.0	-72.97	460.17	10.98	-61.99
C[C@@H](C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])[NH+](C)C	REAL300001584664	0	48	0.0	-52.60	369.97	9.88	-42.72
C[N@@H+]1CCC[C@@H]1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584665	0	49	0.0	-54.32	381.91	9.93	-44.39
C[N@H+]1CCC[C@@H]1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584665	1	49	0.0	-56.03	386.97	10.47	-45.56
C[C@H](C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])[NH+](C)C	REAL300001584669	0	48	0.0	-52.58	370.18	9.88	-42.70
C[NH+](C)C1(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300001584677	0	49	0.0	-57.63	384.56	10.69	-46.94
CCC(C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])[NH+](CC)CC	REAL300001584732	0	57	0.0	-54.06	428.07	11.69	-42.37
C[NH+](C)CC1=CC=C(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C=N1	REAL300001584750	0	54	0.0	-68.11	425.99	11.10	-57.01
CCC[NH+](CCC)CCCC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584753	0	63	0.0	-67.82	484.46	13.61	-54.21
C[N@@H+]1CCOC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001584754	1	50	0.0	-60.23	382.44	9.75	-50.48
C[N@H+]1CCOC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001584754	1	50	0.0	-67.16	392.26	9.67	-57.49
CC(C)C1=[NH+]C=CN1CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584763	1	53	0.0	-55.60	427.87	12.12	-43.48
C[NH+](C)CC1(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300001584772	0	52	0.0	-65.80	413.57	11.16	-54.64
C[NH+](C)CCCCC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584777	0	54	0.0	-71.70	427.27	11.53	-60.17
CC(C)C(C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])[NH+](C)C	REAL300001584787	0	54	0.0	-51.00	403.00	11.58	-39.42
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584803	1	51	0.0	-48.78	401.34	10.52	-38.26
CCC[N@H+](C)CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584810	0	51	0.0	-57.74	401.11	10.79	-46.95
CCC[N@@H+](C)CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584810	1	51	0.0	-50.83	391.27	10.88	-39.95
C[N@H+](CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])C1CCC1	REAL300001584828	0	52	0.0	-49.41	398.26	11.44	-37.97
C[N@@H+](CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])C1CCC1	REAL300001584828	1	52	0.0	-48.82	398.16	11.44	-37.38
CC(C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])[NH+]1CCSCC1	REAL300001584840	1	53	0.0	-52.42	409.04	11.22	-41.20
C[N@H+](CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])CC(C)(C)C	REAL300001584841	0	57	0.0	-50.35	419.88	11.87	-38.48
C[N@@H+](CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])CC(C)(C)C	REAL300001584841	1	57	0.0	-51.28	423.77	11.95	-39.33
CC[C@@H](C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])[NH+](C)C	REAL300001584844	0	51	0.0	-54.52	392.31	10.39	-44.13
C[N@@H+]1CCCC(O)(CC(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001584846	0	56	0.0	-61.03	422.52	9.54	-51.49
C[N@H+]1CCCC(O)(CC(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001584846	1	56	0.0	-59.09	432.29	9.83	-49.26
CCCCCC[N@H+](C)CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584866	0	60	0.0	-51.86	455.77	13.21	-38.65
CCCCCC[N@@H+](C)CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584866	1	60	0.0	-51.75	455.76	13.22	-38.53
O=C([O-])C(CNC(=O)C12CCC[NH+]1CCC2)CC1=CC2=CC=CC=C2C=C1	REAL300001584873	0	53	0.0	-51.40	406.88	11.38	-40.02
O=C([O-])C(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)CC1=CC2=CC=CC=C2C=C1	REAL300001584880	1	47	0.0	-64.97	382.51	12.97	-52.00
C[N@H+](CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])C1CCSC1	REAL300001584886	0	53	0.0	-56.30	411.53	11.69	-44.61
C[N@@H+](CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])C1CCSC1	REAL300001584886	1	53	0.0	-62.18	421.50	11.64	-50.54
O=C([O-])C(CNC(=O)C1CCCC2CCC[N@@H+]21)CC1=CC2=CC=CC=C2C=C1	REAL300001584901	0	56	0.0	-46.28	416.45	12.30	-33.98
O=C([O-])C(CNC(=O)C1CCCC2CCC[N@H+]21)CC1=CC2=CC=CC=C2C=C1	REAL300001584901	1	56	0.0	-55.61	418.84	11.97	-43.64
C[NH+](C)CCN1C=C(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C=N1	REAL300001584902	0	55	0.0	-72.57	436.35	10.96	-61.61
CCCC(C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])[NH+](C)C	REAL300001584921	0	54	0.0	-56.27	413.93	11.14	-45.13
C[NH+](C)CCN1C=CC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=N1	REAL300001584930	0	55	0.0	-73.89	436.73	10.96	-62.93
C[NH+](C)CCN1N=CC=C1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584931	0	55	0.0	-55.69	431.79	10.93	-44.76
C[C@@H]1[C@H](C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300001584933	0	52	0.0	-57.38	392.82	10.62	-46.76
C[C@@H]1[C@H](C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC[N@H+]1C	REAL300001584933	1	52	0.0	-63.98	404.82	10.63	-53.35
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584935	1	56	0.0	-60.18	447.86	12.59	-47.59
CC[C@@H]1[C@@H](C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300001584937	0	55	0.0	-56.82	409.06	11.14	-45.68
CC[C@@H]1[C@@H](C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC[N@H+]1C	REAL300001584937	1	55	0.0	-57.09	416.60	11.63	-45.46
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584939	1	51	0.0	-55.94	408.57	11.15	-44.79
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584939	1	51	0.0	-57.45	414.73	11.68	-45.77
CC1C[N@H+](C)CC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])O1	REAL300001584942	1	53	0.0	-63.42	403.94	10.62	-52.80
CC1C[N@@H+](C)CC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])O1	REAL300001584942	1	53	0.0	-50.71	413.45	10.41	-40.30
O=C([O-])C(CNC(=O)C[NH+]1CCCC1)CC1=CC2=CC=CC=C2C=C1	REAL300001584948	0	49	0.0	-50.33	377.53	10.60	-39.73
CC1=[NH+]C=CN1CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584950	1	47	0.0	-58.12	391.34	11.00	-47.12
CC(C[NH+]1CCOCC1)C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001584952	0	56	0.0	-64.37	433.18	10.11	-54.26
CC1CC[NH+](CC(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300001584971	0	55	0.0	-59.13	424.86	11.88	-47.25
CC[N@@H+]1CCOC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001584979	1	53	0.0	-46.84	403.55	10.36	-36.48
CC[N@H+]1CCOC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001584979	1	53	0.0	-61.01	417.20	10.48	-50.53
C[N@@H+]1CCCC1CCC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585004	0	55	0.0	-67.70	429.63	11.89	-55.81
C[N@H+]1CCCC1CCC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585004	1	55	0.0	-59.96	414.03	11.49	-48.47
O=C([O-])C(CNC(=O)C12CCC[NH+](CCC1)C2)CC1=CC2=CC=CC=C2C=C1	REAL300001585012	0	56	0.0	-70.42	419.20	11.59	-58.83
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585014	0	53	0.0	-54.82	410.28	7.48	-47.34
C[N@H+]1CC(O)CC1(C)C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585014	1	53	0.0	-66.04	409.54	7.83	-58.21
O=C([O-])C(CNC(=O)C1CCC2CCCC[N@@H+]21)CC1=CC2=CC=CC=C2C=C1	REAL300001585015	0	56	0.0	-48.34	420.06	12.41	-35.93
O=C([O-])C(CNC(=O)C1CCC2CCCC[N@H+]21)CC1=CC2=CC=CC=C2C=C1	REAL300001585015	1	56	0.0	-52.65	429.71	12.32	-40.33
CC(C)(C[NH+]1CCOCC1)C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585019	0	59	0.0	-52.93	435.33	10.42	-42.51
CC[NH+](CC)CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585028	0	51	0.0	-57.56	398.00	10.75	-46.81
CC(C)[NH+]1CCC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300001585030	0	58	0.0	-59.75	427.30	12.06	-47.69
O=C([O-])C(CNC(=O)C12CC[NH+](CC1)C2)CC1=CC2=CC=CC=C2C=C1	REAL300001585085	0	50	0.0	-65.62	393.85	9.90	-55.72
CCC(C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])[NH+](C)C	REAL300001585088	0	51	0.0	-52.06	387.88	10.31	-41.75
O=C([O-])C(CNC(=O)C12CC[N@H+](C1)CCC2)CC1=CC2=CC=CC=C2C=C1	REAL300001585095	0	53	0.0	-70.69	404.41	10.62	-60.07
O=C([O-])C(CNC(=O)C12CC[N@@H+](C1)CCC2)CC1=CC2=CC=CC=C2C=C1	REAL300001585095	1	53	0.0	-69.34	403.48	10.61	-58.73
CC1CCC(C)[NH+]1CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585124	0	55	0.0	-48.87	411.04	11.42	-37.45
C[NH+](C)CC1=CC=CC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300001585125	0	55	0.0	-75.06	440.03	12.87	-62.19
C[NH+](C)C1(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CCC1	REAL300001585150	0	52	0.0	-62.65	396.09	10.55	-52.10
C#CC[NH+]1CCC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300001585167	0	54	0.0	-62.80	421.30	12.27	-50.53
CCC[N@@H+]1CCCCC1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585168	0	58	0.0	-49.33	428.62	12.31	-37.02
CCC[N@H+]1CCCCC1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585168	1	58	0.0	-51.12	423.96	12.29	-38.83
C[NH+](C)CC1=CC=CC=C1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585169	0	55	0.0	-56.07	432.77	13.10	-42.97
CC[NH+]1CCN(CCC(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300001585170	0	60	0.0	-63.32	450.14	10.08	-53.24
CCN1CC[NH+](CCC(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300001585170	1	60	0.0	-62.84	460.84	10.04	-52.80
CC(C)[N@H+](C)CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585171	0	51	0.0	-49.35	386.46	10.66	-38.69
CC(C)[N@@H+](C)CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585171	1	51	0.0	-50.36	386.55	10.67	-39.69
CC(C)C(C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300001585172	0	61	0.0	-50.66	450.65	12.92	-37.74
C[NH+](C)C(C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300001585173	1	55	0.0	-53.26	436.95	12.88	-40.38
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585178	1	56	0.0	-60.35	447.32	12.53	-47.82
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CCCC1)CC1=CC2=CC=CC=C2C=C1	REAL300001585183	0	59	0.0	-49.75	439.34	13.09	-36.66
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CCCC1)CC1=CC2=CC=CC=C2C=C1	REAL300001585183	1	59	0.0	-48.90	437.97	12.84	-36.06
CC[N@H+](CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])C1CC1	REAL300001585185	0	52	0.0	-49.36	404.26	11.37	-37.99
CC[N@@H+](CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])C1CC1	REAL300001585185	1	52	0.0	-50.84	393.53	11.37	-39.47
CC(C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300001585198	0	58	0.0	-55.03	431.94	11.80	-43.23
C[N@@H+]1CCC[C@H]1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585201	0	49	0.0	-56.31	387.66	10.41	-45.90
C[N@H+]1CCC[C@H]1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585201	1	49	0.0	-54.34	382.02	9.93	-44.41
CC(C)(C)[NH2+]CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585244	0	51	0.0	-58.56	400.86	9.11	-49.45
O=C([O-])C(CNC(=O)CCCC[NH+]1CCCC1)CC1=CC2=CC=CC=C2C=C1	REAL300001585245	0	58	0.0	-69.99	453.23	12.70	-57.29
C[N@H+](CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300001585247	1	55	0.0	-53.51	428.69	13.05	-40.46
C[N@@H+](CC(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300001585247	1	55	0.0	-60.09	438.58	12.98	-47.11
CC(C)[C@@H](C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])[NH+](C)C	REAL300001585254	0	54	0.0	-48.30	396.26	11.01	-37.29
C[NH+](C)CC1=CC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=NO1	REAL300001585277	1	51	0.0	-74.05	411.16	10.49	-63.56
CC(C)[N@@H+]1CCCC1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585286	0	55	0.0	-57.13	414.64	11.66	-45.47
CC(C)[N@H+]1CCCC1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585286	1	55	0.0	-50.16	411.04	11.57	-38.59
C[NH+]1CCC(OCC(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300001585300	0	56	0.0	-73.29	441.83	11.48	-61.81
CCC[N@@H+]1CCCC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001585402	0	58	0.0	-57.17	435.90	12.49	-44.68
CCC[N@H+]1CCCC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001585402	1	58	0.0	-57.40	435.82	12.47	-44.93
CC(C)C[N@@H+]1CCCC1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585418	0	58	0.0	-57.66	447.06	12.56	-45.10
CC(C)C[N@H+]1CCCC1C(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300001585418	1	58	0.0	-58.36	446.70	12.58	-45.78
O=C([O-])C(CNC(=O)C[NH+]1CCC(CO)CC1)CC1=CC2=CC=CC=C2C=C1	REAL300001585419	0	56	0.0	-58.33	435.78	8.57	-49.76
CC(C)[N@@H+]1CCCC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001585560	0	58	0.0	-49.02	424.71	12.44	-36.58
CC(C)[N@H+]1CCCC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001585560	1	58	0.0	-56.73	431.04	12.25	-44.48
CC1=C(C)[NH+]=C(CCC(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])N1	REAL300001585577	1	53	0.0	-60.61	432.14	10.67	-49.94
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001585938	0	52	0.0	-63.33	411.57	11.11	-52.22
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300001585942	0	58	0.0	-57.84	434.33	12.07	-45.77
CC(C)C[N@@H+]1CCCC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001585981	0	61	0.0	-52.88	450.40	13.31	-39.57
CC(C)C[N@H+]1CCCC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001585981	1	61	0.0	-52.88	450.40	13.31	-39.57
CC[N@@H+]1CCCC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001585982	0	55	0.0	-53.19	408.12	11.93	-41.26
CC[N@H+]1CCCC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001585982	1	55	0.0	-53.19	408.12	11.93	-41.26
C[N@@H+]1CCCC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001585987	0	52	0.0	-59.23	400.30	11.21	-48.02
C[N@H+]1CCCC(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001585987	1	52	0.0	-59.23	400.30	11.21	-48.02
CN(C)CC1=CC=C(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])O1	REAL300001585989	0	52	0.0	-64.37	416.65	11.26	-53.11
C[NH+](C)CC1=CC=C(C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])O1	REAL300001585989	1	52	0.0	-64.37	416.65	11.26	-53.11
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001585994	0	61	0.0	-70.76	451.96	12.51	-58.25
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300001585994	1	61	0.0	-70.76	451.96	12.51	-58.25
O=C([O-])C(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)CC1=CC2=CC=CC=C2C=C1	REAL300001585997	0	54	0.0	-56.37	420.06	12.71	-43.66
O=C([O-])C(CNC(=O)C1CC[NH+](C2CC2)CC1)CC1=CC=CC2=CC=CC=C21	REAL300001587192	0	56	0.0	-63.27	427.15	12.07	-51.20
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CC1=[NH+]C=CN1CCCC(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300001587461	1	53	0.0	-58.79	420.42	12.26	-46.53
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C[N@@H+]1CCC[C@@H]1C(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300001587469	0	49	0.0	-53.83	369.42	9.90	-43.93
C[N@H+]1CCC[C@@H]1C(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300001587469	1	49	0.0	-58.19	383.89	10.36	-47.83
C[C@H](C(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])[NH+](C)C	REAL300001587473	0	48	0.0	-53.12	367.60	9.76	-43.36
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CCC(C(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])[NH+](CC)CC	REAL300001587536	0	57	0.0	-48.36	415.51	11.45	-36.91
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CC(C)C1=[NH+]C=CN1CC(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300001587567	1	53	0.0	-55.88	423.41	11.94	-43.94
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C[NH+](C)CCCCC(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300001587581	0	54	0.0	-69.90	423.27	11.36	-58.54
CC(C)C(C(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])[NH+](C)C	REAL300001587591	0	54	0.0	-56.45	408.33	11.45	-45.00
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300001587607	1	51	0.0	-55.05	408.17	10.34	-44.71
CCC[N@H+](C)CC(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300001587614	0	51	0.0	-57.97	396.99	10.63	-47.34
CCC[N@@H+](C)CC(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300001587614	1	51	0.0	-52.38	391.67	10.80	-41.58
C[N@H+](CC(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C1CCC1	REAL300001587632	0	52	0.0	-55.48	404.12	11.21	-44.27
C[N@@H+](CC(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C1CCC1	REAL300001587632	1	52	0.0	-55.74	404.99	11.25	-44.49
CC(C(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])[NH+]1CCSCC1	REAL300001587644	1	53	0.0	-56.79	414.26	11.13	-45.66
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CC[C@@H](C(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])[NH+](C)C	REAL300001587648	0	51	0.0	-54.45	385.21	10.56	-43.89
C[N@@H+]1CCCC(O)(CC(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300001587650	0	56	0.0	-57.58	414.47	9.41	-48.17
C[N@H+]1CCCC(O)(CC(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300001587650	1	56	0.0	-58.66	428.08	9.59	-49.07
CCCCCC[N@H+](C)CC(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300001587670	0	60	0.0	-53.09	456.16	13.15	-39.94
CCCCCC[N@@H+](C)CC(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300001587670	1	60	0.0	-58.94	461.63	12.98	-45.96
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CCCC(C(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])[NH+](C)C	REAL300001587725	0	54	0.0	-51.91	404.02	10.89	-41.02
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CC[C@@H]1[C@@H](C(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC[N@H+]1C	REAL300001587741	1	55	0.0	-64.08	419.05	11.45	-52.63
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CC[NH+](CC)CC(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300001587832	0	51	0.0	-56.76	389.96	10.36	-46.40
CC(C)[NH+]1CCC(C(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300001587834	0	58	0.0	-60.49	424.70	11.96	-48.53
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CCC(C(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])[NH+](C)C	REAL300001587892	0	51	0.0	-54.61	387.98	10.17	-44.44
O=C([O-])C(CNC(=O)C12CC[N@H+](C1)CCC2)CC1=CC=CC2=CC=CC=C21	REAL300001587899	0	53	0.0	-62.38	400.82	10.50	-51.88
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CC1CCC(C)[NH+]1CC(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300001587928	0	55	0.0	-49.35	406.15	11.23	-38.12
C[NH+](C)CC1=CC=CC(C(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300001587929	0	55	0.0	-75.40	437.03	12.77	-62.63
C[NH+](C)C1(C(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CCC1	REAL300001587954	0	52	0.0	-55.15	383.63	10.52	-44.63
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C[NH+](C)CC1=CC=CC=C1C(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300001587973	0	55	0.0	-60.21	428.84	12.99	-47.22
CC[NH+]1CCN(CCC(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300001587974	0	60	0.0	-69.50	456.98	9.90	-59.60
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CC(C)[N@@H+](C)CC(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300001587975	1	51	0.0	-49.14	383.88	10.55	-38.59
CC(C)C(C(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])[NH+]1CCCCC1	REAL300001587976	0	61	0.0	-58.10	448.57	13.24	-44.86
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CC(C)C1=[NH+]C=CN1CCC(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300001587982	1	56	0.0	-58.58	443.32	12.38	-46.20
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CC(C)C[N@H+]1CCCC(C(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300001588785	1	61	0.0	-58.83	452.53	13.12	-45.71
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CC[N@H+](CC1=CC=C(C(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=C1)C(C)C	REAL300001592026	0	56	0.0	-75.39	425.58	10.83	-64.56
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CC(C(=O)NCC1=CC=CC(OCC(=O)[O-])=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001592110	0	50	0.0	-67.84	401.41	9.88	-57.96
CC(C(=O)NCC1=CC=CC(OCC(=O)[O-])=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001592110	1	50	0.0	-69.85	401.16	9.89	-59.96
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CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=CC=CC(OCC(=O)[O-])=C3)C=C2)CCO1	REAL300001594229	1	55	0.0	-80.03	431.83	9.54	-70.49
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C[N@@H+]1CCCCC1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596424	0	50	0.0	-69.14	390.66	8.37	-60.77
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CC(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300001596425	1	55	0.0	-72.62	419.65	6.59	-66.03
C[N@@H+]1CCCC[C@H]1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596460	0	50	0.0	-69.20	390.67	8.37	-60.83
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C[NH+](C)CC1(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CCCCC1	REAL300001596593	0	59	0.0	-74.36	433.08	10.46	-63.90
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C[N@@H+](CCC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)C1CCCCC1	REAL300001596598	1	59	0.0	-74.43	447.12	10.37	-64.06
C[N@@H+]1CCCC1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596614	0	47	0.0	-71.32	368.66	7.32	-64.00
C[N@H+]1CCCC1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596614	1	47	0.0	-71.39	368.74	7.33	-64.06
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O=C([O-])CCCOC1=CC=C(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1	REAL300001596685	0	60	0.0	-67.55	441.37	10.71	-56.84
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CC1=[NH+]C=CN1CCCC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596720	1	51	0.0	-70.55	419.68	9.68	-60.87
O=C([O-])CCCOC1=CC=C(CNC(=O)CCCC[NH+]2CCOCC2)C=C1	REAL300001596721	1	57	0.0	-76.97	446.98	8.38	-68.59
C[C@@H](C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+](C)C	REAL300001596727	0	46	0.0	-70.88	366.61	7.19	-63.69
C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596728	0	47	0.0	-71.42	368.71	7.32	-64.10
C[N@H+]1CCC[C@@H]1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596728	1	47	0.0	-69.51	375.05	7.84	-61.67
C[C@H](C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+](C)C	REAL300001596732	0	46	0.0	-70.88	366.88	7.18	-63.70
C[NH+](C)C1(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001596740	0	47	0.0	-73.53	369.63	8.21	-65.32
O=C([O-])CCCOC1=CC=C(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001596781	0	57	0.0	-75.03	453.79	11.26	-63.77
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CCC(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+](CC)CC	REAL300001596806	0	55	0.0	-66.56	414.98	9.15	-57.41
CC(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001596808	0	56	0.0	-72.37	443.66	10.78	-61.59
CC(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001596808	1	56	0.0	-73.39	443.68	10.75	-62.64
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CCC[NH+](CCC)CCCC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596836	0	61	0.0	-73.96	466.80	10.70	-63.26
CC[N@H+](C)C(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001596837	0	56	0.0	-68.72	442.14	10.90	-57.82
CC[N@@H+](C)C(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001596837	1	56	0.0	-68.71	442.10	10.89	-57.82
C[N@@H+]1CCOC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001596838	1	48	0.0	-80.63	386.09	7.23	-73.40
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CC[NH+](CC)C(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001596840	0	59	0.0	-69.72	450.39	11.05	-58.67
CC(C)C1=[NH+]C=CN1CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596850	1	51	0.0	-67.93	414.36	9.50	-58.43
O=C([O-])CCCOC1=CC=C(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1	REAL300001596861	0	57	0.0	-78.17	451.67	11.41	-66.76
C[NH+](C)CC1(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001596870	0	50	0.0	-73.79	399.35	8.48	-65.31
C[NH+](C)CCCCC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596876	0	52	0.0	-74.92	414.08	8.91	-66.01
CC(C)C(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+](C)C	REAL300001596884	0	52	0.0	-69.85	392.93	8.32	-61.53
CC1=C(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300001596894	1	51	0.0	-80.65	424.46	8.66	-71.99
O=C([O-])CCCOC1=CC=C(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1	REAL300001596909	1	53	0.0	-79.57	432.12	8.86	-70.71
C[NH+](C)CCC1=CC=C(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C=C1	REAL300001596910	0	56	0.0	-80.24	449.35	11.11	-69.13
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596920	1	49	0.0	-65.42	398.01	7.84	-57.58
CCC[N@H+](C)CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596928	0	49	0.0	-72.49	387.94	8.19	-64.30
CCC[N@@H+](C)CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596928	1	49	0.0	-72.52	387.94	8.19	-64.33
C[N@H+](CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)C1CCC1	REAL300001596949	0	50	0.0	-70.41	394.93	8.76	-61.65
C[N@@H+](CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)C1CCC1	REAL300001596949	1	50	0.0	-70.61	394.83	8.75	-61.86
CC(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+]1CCSCC1	REAL300001596971	1	51	0.0	-73.06	403.87	8.62	-64.44
C[N@H+](CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)CC(C)(C)C	REAL300001596973	0	55	0.0	-72.00	418.33	9.27	-62.73
C[N@@H+](CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)CC(C)(C)C	REAL300001596973	1	55	0.0	-71.98	418.49	9.33	-62.65
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596975	0	56	0.0	-76.74	447.84	11.22	-65.52
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596975	1	56	0.0	-76.78	447.84	11.22	-65.56
COCCOCC[N@H+](C)CCC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596976	0	60	0.0	-74.69	476.84	7.39	-67.30
COCCOCC[N@@H+](C)CCC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001596976	1	60	0.0	-75.41	476.89	7.40	-68.01
CC[C@@H](C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+](C)C	REAL300001596979	0	49	0.0	-69.83	379.36	7.78	-62.05
C[N@@H+]1CCCC(O)(CC(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001596981	0	54	0.0	-69.74	409.34	6.94	-62.80
C[N@H+]1CCCC(O)(CC(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001596981	1	54	0.0	-69.24	419.01	7.13	-62.11
CCCCCC[N@H+](C)CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597003	0	58	0.0	-73.71	452.43	10.54	-63.17
CCCCCC[N@@H+](C)CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597003	1	58	0.0	-73.72	452.43	10.54	-63.18
O=C([O-])CCCOC1=CC=C(CNC(=O)C23CCC[NH+]2CCC3)C=C1	REAL300001597014	0	51	0.0	-70.86	393.44	8.76	-62.10
O=C([O-])CCCOC1=CC=C(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C1	REAL300001597022	1	45	0.0	-76.58	379.15	10.28	-66.30
C[N@H+](CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)C1CCSC1	REAL300001597033	0	51	0.0	-77.78	408.06	9.02	-68.76
C[N@@H+](CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)C1CCSC1	REAL300001597033	1	51	0.0	-77.97	408.04	9.00	-68.97
CC(C)[NH+]1CCN(CCC(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001597050	0	61	0.0	-72.03	464.06	7.95	-64.08
CC(C)N1CC[NH+](CCC(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001597050	1	61	0.0	-74.55	460.37	7.75	-66.80
O=C([O-])CCCOC1=CC=C(CNC(=O)C2CCCC3CCC[N@@H+]32)C=C1	REAL300001597051	0	54	0.0	-68.33	405.34	9.34	-58.99
O=C([O-])CCCOC1=CC=C(CNC(=O)C2CCCC3CCC[N@H+]32)C=C1	REAL300001597051	1	54	0.0	-65.82	413.28	9.60	-56.22
C[NH+](C)CCN1C=C(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C=N1	REAL300001597053	0	53	0.0	-80.70	433.02	8.26	-72.44
CC(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001597068	1	57	0.0	-72.83	447.05	11.15	-61.68
CC(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001597068	1	57	0.0	-72.86	443.77	11.34	-61.52
CCCC(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+](C)C	REAL300001597085	0	52	0.0	-70.94	400.74	8.53	-62.41
C[NH+](C)CCN1C=CC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)=N1	REAL300001597099	0	53	0.0	-81.65	433.39	8.27	-73.38
C[NH+](C)CCN1N=CC=C1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597100	0	53	0.0	-71.41	428.48	8.25	-63.16
C[C@@H]1[C@H](C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CC[N@@H+]1C	REAL300001597103	0	50	0.0	-73.68	386.27	7.99	-65.69
C[C@@H]1[C@H](C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CC[N@H+]1C	REAL300001597103	1	50	0.0	-74.02	391.55	8.02	-66.00
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597105	1	54	0.0	-67.47	434.66	9.98	-57.49
CC[C@@H]1[C@@H](C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CC[N@@H+]1C	REAL300001597108	0	53	0.0	-73.36	405.72	8.45	-64.91
CC[C@@H]1[C@@H](C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CC[N@H+]1C	REAL300001597108	1	53	0.0	-72.61	414.62	9.02	-63.59
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597111	1	49	0.0	-69.74	395.36	8.55	-61.19
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597111	1	49	0.0	-69.59	401.12	9.07	-60.52
CC1C[N@H+](C)CC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)O1	REAL300001597117	1	51	0.0	-81.57	400.06	7.53	-74.04
CC1C[N@@H+](C)CC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)O1	REAL300001597117	1	51	0.0	-75.69	400.16	7.81	-67.88
O=C([O-])CCCOC1=CC=C(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C=C1	REAL300001597123	1	56	0.0	-67.53	448.10	9.92	-57.61
O=C([O-])CCCOC1=CC=C(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C=C1	REAL300001597123	1	56	0.0	-73.51	449.63	9.66	-63.85
O=C([O-])CCCOC1=CC=C(CNC(=O)C[NH+]2CCCC2)C=C1	REAL300001597125	0	47	0.0	-71.44	372.66	7.80	-63.64
CC1=[NH+]C=CN1CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597127	1	45	0.0	-69.46	378.14	8.39	-61.07
CC(C[NH+]1CCOCC1)C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597129	0	54	0.0	-74.59	420.02	7.50	-67.09
CC1CC[NH+](CC(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001597148	0	53	0.0	-72.61	411.67	9.27	-63.34
CC[N@@H+]1CCOC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001597159	1	51	0.0	-78.85	403.91	7.88	-70.97
CC[N@H+]1CCOC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001597159	1	51	0.0	-74.10	396.78	7.71	-66.39
O=C([O-])CCCOC1=CC=C(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C1	REAL300001597193	0	60	0.0	-72.65	454.58	10.74	-61.91
O=C([O-])CCCOC1=CC=C(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)C=C1	REAL300001597193	1	60	0.0	-72.47	453.35	10.66	-61.81
C[N@@H+]1CCCC1CCC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597198	0	53	0.0	-74.28	416.09	9.27	-65.01
C[N@H+]1CCCC1CCC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597198	1	53	0.0	-72.40	410.66	8.81	-63.59
O=C([O-])CCCOC1=CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)C=C1	REAL300001597210	0	54	0.0	-73.28	406.10	8.98	-64.30
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597212	0	51	0.0	-74.05	397.99	4.92	-69.13
C[N@H+]1CC(O)CC1(C)C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597212	1	51	0.0	-75.28	395.14	4.94	-70.34
O=C([O-])CCCOC1=CC=C(CNC(=O)C2CCC3CCCC[N@@H+]32)C=C1	REAL300001597213	0	54	0.0	-68.50	409.51	9.25	-59.25
O=C([O-])CCCOC1=CC=C(CNC(=O)C2CCC3CCCC[N@H+]32)C=C1	REAL300001597213	1	54	0.0	-66.85	416.48	9.72	-57.13
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597220	0	57	0.0	-71.21	429.52	7.85	-63.36
CC[NH+](CC)CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597235	0	49	0.0	-70.76	380.30	7.86	-62.90
CC(C)[NH+]1CCC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001597237	0	56	0.0	-73.13	427.60	9.62	-63.51
O=C([O-])CCCOC1=CC=C(CNC(=O)C23CC[NH+](CC2)C3)C=C1	REAL300001597316	0	48	0.0	-74.04	380.33	7.29	-66.75
CCC(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+](C)C	REAL300001597319	0	49	0.0	-70.21	379.22	7.76	-62.45
O=C([O-])CCCOC1=CC=C(CNC(=O)C23CC[N@H+](C2)CCC3)C=C1	REAL300001597327	0	51	0.0	-76.06	390.64	8.00	-68.06
O=C([O-])CCCOC1=CC=C(CNC(=O)C23CC[N@@H+](C2)CCC3)C=C1	REAL300001597327	1	51	0.0	-76.07	390.64	8.02	-68.05
CC1CCC(C)[NH+]1CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597371	0	53	0.0	-68.27	405.74	8.66	-59.61
C[NH+](C)CC1=CC=CC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)=C1	REAL300001597372	0	53	0.0	-76.07	426.91	10.27	-65.80
C[NH+](C)C1(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CCC1	REAL300001597406	0	50	0.0	-68.67	382.85	8.26	-60.41
C#CC[NH+]1CCC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001597429	0	52	0.0	-77.42	418.46	9.64	-67.78
CCC[N@@H+]1CCCCC1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597431	0	56	0.0	-69.20	420.56	9.60	-59.60
CCC[N@H+]1CCCCC1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597431	1	56	0.0	-69.14	420.55	9.60	-59.54
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597432	0	53	0.0	-65.82	419.54	10.49	-55.33
CC[NH+]1CCN(CCC(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001597434	0	58	0.0	-73.58	446.81	7.40	-66.18
CCN1CC[NH+](CCC(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001597434	1	58	0.0	-74.65	447.31	7.43	-67.22
CC(C)[N@H+](C)CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597435	0	49	0.0	-70.19	383.13	7.97	-62.22
CC(C)[N@@H+](C)CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597435	1	49	0.0	-70.12	383.13	7.98	-62.14
CC(C)C(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+]1CCCCC1	REAL300001597436	0	59	0.0	-68.15	438.01	10.88	-57.27
C[NH+](C)C(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001597437	1	53	0.0	-70.45	423.40	10.27	-60.18
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597444	1	54	0.0	-67.35	434.15	9.93	-57.42
O=C([O-])CCCOC1=CC=C(CNC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1	REAL300001597450	0	57	0.0	-70.44	424.68	10.10	-60.34
O=C([O-])CCCOC1=CC=C(CNC(=O)C2CCC[N@H+]2C2CCCC2)C=C1	REAL300001597450	1	57	0.0	-69.03	434.68	10.16	-58.87
CC[N@H+](CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)C1CC1	REAL300001597452	0	50	0.0	-70.71	389.80	8.35	-62.36
CC[N@@H+](CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)C1CC1	REAL300001597452	1	50	0.0	-68.82	393.51	8.54	-60.28
CC(C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+]1CCCCCC1	REAL300001597475	0	56	0.0	-69.09	419.80	9.56	-59.53
C[N@@H+]1CCC[C@H]1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597478	0	47	0.0	-68.87	374.40	7.73	-61.14
C[N@H+]1CCC[C@H]1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597478	1	47	0.0	-71.30	368.70	7.32	-63.98
CC(C)(C)[NH2+]CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597544	0	49	0.0	-71.72	387.66	6.50	-65.22
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)O1	REAL300001597546	0	56	0.0	-74.48	448.91	9.96	-64.52
O=C([O-])CCCOC1=CC=C(CNC(=O)CCCC[NH+]2CCCC2)C=C1	REAL300001597547	0	56	0.0	-73.64	440.03	10.09	-63.55
C[N@H+](CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300001597549	1	53	0.0	-76.49	425.36	10.37	-66.12
C[N@@H+](CC(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300001597549	1	53	0.0	-76.51	425.41	10.37	-66.14
CC(C)[C@@H](C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+](C)C	REAL300001597559	0	52	0.0	-70.29	396.08	9.01	-61.28
O=C([O-])CCCOC1=CC=C(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C=C1	REAL300001597578	1	48	0.0	-79.87	408.01	8.22	-71.65
C[NH+](C)CC1=CC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)=NO1	REAL300001597600	1	49	0.0	-80.88	406.81	7.75	-73.13
CC(C)[N@@H+]1CCCC1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597613	0	53	0.0	-67.60	407.60	8.91	-58.69
CC(C)[N@H+]1CCCC1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597613	1	53	0.0	-69.39	401.16	9.01	-60.38
C[NH+]1CCC(OCC(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001597632	0	54	0.0	-78.41	428.66	8.87	-69.54
CCC[N@@H+]1CCCC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001597787	0	56	0.0	-67.21	426.19	10.00	-57.21
CCC[N@H+]1CCCC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001597787	1	56	0.0	-71.97	432.46	9.79	-62.18
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597814	0	56	0.0	-68.77	433.52	9.96	-58.81
CC(C)C[N@H+]1CCCC1C(=O)NCC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001597814	1	56	0.0	-68.99	433.45	9.96	-59.03
O=C([O-])CCCOC1=CC=C(CNC(=O)C[NH+]2CCC(CO)CC2)C=C1	REAL300001597815	0	54	0.0	-73.98	422.50	5.96	-68.02
CC(C)[N@@H+]1CCCC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001598009	0	56	0.0	-66.26	421.35	9.77	-56.49
CC(C)[N@H+]1CCCC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001598009	1	56	0.0	-70.19	427.61	9.56	-60.63
C[N@@H+]1CC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300001598010	0	50	0.0	-78.37	412.30	8.58	-69.79
C[N@H+]1CC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300001598010	1	50	0.0	-78.36	412.39	8.59	-69.77
CC1=C(C)[NH+]=C(CCC(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)N1	REAL300001598033	1	51	0.0	-68.06	418.94	8.06	-60.00
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)=C1	REAL300001598450	0	56	0.0	-77.29	449.35	11.09	-66.20
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001598580	0	50	0.0	-73.39	398.40	8.51	-64.88
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001598584	0	56	0.0	-70.41	421.00	9.47	-60.94
CC1=[NH+]C=C2C=CC(C(=O)NCC3=CC=C(OCCCC(=O)[O-])C=C3)=CN21	REAL300001598587	0	48	0.0	-69.55	400.29	10.04	-59.51
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001598643	0	59	0.0	-71.49	449.92	10.48	-61.01
CC(C)C[N@H+]1CCCC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001598643	1	59	0.0	-67.52	443.59	10.70	-56.82
CC[N@@H+]1CCCC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001598644	0	53	0.0	-71.45	410.96	9.05	-62.40
CC[N@H+]1CCCC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001598644	1	53	0.0	-71.37	410.94	9.05	-62.32
C[N@@H+]1CCCC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001598649	0	50	0.0	-73.13	393.29	8.39	-64.74
C[N@H+]1CCCC(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001598649	1	50	0.0	-73.07	393.27	8.38	-64.69
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)O1	REAL300001598651	1	50	0.0	-77.57	413.29	8.58	-68.99
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001598657	0	59	0.0	-75.44	431.08	9.45	-65.99
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CC(C(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001612261	1	44	0.0	-68.53	363.49	10.43	-58.10
CC(C(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001612261	1	44	0.0	-74.19	361.10	10.50	-63.69
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CC[C@@H]1[C@@H](C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)CC[N@@H+]1C	REAL300001612310	0	40	0.0	-77.89	322.82	7.68	-70.21
CC[C@@H]1[C@@H](C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)CC[N@H+]1C	REAL300001612310	1	40	0.0	-78.71	328.43	7.94	-70.77
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CC1C[N@H+](C)CC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)O1	REAL300001612322	1	38	0.0	-92.89	324.72	7.08	-85.81
CC1C[N@@H+](C)CC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)O1	REAL300001612322	1	38	0.0	-89.04	317.74	6.66	-82.38
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C[NH+](C)C(C(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300001612673	1	40	0.0	-65.57	340.83	9.48	-56.09
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300001612677	0	45	0.0	-73.03	380.03	7.43	-65.60
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300001612677	1	45	0.0	-69.34	379.43	7.40	-61.94
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300001612683	1	41	0.0	-70.75	351.26	9.16	-61.59
C[NH+](C)CC1=C(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)OC2=CC=CC=C21	REAL300001612684	0	43	0.0	-62.02	371.41	9.84	-52.18
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=C1	REAL300001612690	0	44	0.0	-71.95	348.59	9.52	-62.43
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2CCC[N@H+]2C2CCCC2)=C1	REAL300001612690	1	44	0.0	-76.61	345.03	9.31	-67.30
CC(C(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1)[NH+]1CCCCCC1	REAL300001612721	0	43	0.0	-70.52	334.08	8.90	-61.62
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC(Cl)=CC(C(=O)[O-])=C3)=CC=C1N2	REAL300001612759	1	45	0.0	-77.39	379.08	9.91	-67.48
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC(Cl)=CC(C(=O)[O-])=C3)=CC=C1N2	REAL300001612759	1	45	0.0	-83.81	378.99	9.91	-73.90
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)O1	REAL300001612814	0	43	0.0	-82.60	365.13	9.18	-73.42
O=C([O-])C1=CC(NC(=O)CCCC[NH+]2CCCC2)=CC(Cl)=C1	REAL300001612815	0	43	0.0	-77.87	357.46	9.31	-68.56
CC1=CC=C(N2CCC(C(=O)NC3=CC(Cl)=CC(C(=O)[O-])=C3)CC2)[NH+]=C1	REAL300001612817	1	46	0.0	-77.84	380.44	9.07	-68.77
C[N@H+](CC(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300001612818	1	40	0.0	-78.79	342.79	9.58	-69.21
C[N@@H+](CC(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300001612818	1	40	0.0	-79.06	342.80	9.58	-69.48
C[NH+](C)CC1=CC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)=NO1	REAL300001612871	1	36	0.0	-77.80	324.95	7.04	-70.76
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300001612875	0	47	0.0	-79.41	386.92	11.05	-68.36
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300001612875	1	47	0.0	-80.01	386.87	11.08	-68.93
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300001612892	0	40	0.0	-69.65	325.23	8.08	-61.57
CC(C)[N@H+]1CCCC1C(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300001612892	1	40	0.0	-70.26	324.74	8.11	-62.15
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C=C1	REAL300001612899	0	48	0.0	-86.83	408.44	10.44	-76.39
C[NH+]1CCC(OCC(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)CC1	REAL300001612919	0	41	0.0	-75.55	346.06	8.01	-67.54
O=C([O-])C1=CC(Cl)=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=C1	REAL300001612924	0	44	0.0	-73.70	372.27	9.68	-64.02
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)[C@@H](C(F)(F)F)C1	REAL300001612969	0	46	0.0	-78.26	380.17	9.18	-69.08
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)[C@@H](C(F)(F)F)C1	REAL300001612969	1	46	0.0	-78.16	378.54	9.29	-68.87
CCC[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300001613122	0	43	0.0	-74.19	349.64	9.00	-65.19
CCC[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300001613122	1	43	0.0	-67.27	343.39	9.19	-58.08
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300001613155	0	43	0.0	-72.63	344.86	8.66	-63.97
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300001613155	1	43	0.0	-74.03	344.85	8.66	-65.37
O=C([O-])C1=CC(NC(=O)C[NH+]2CCC(CO)CC2)=CC(Cl)=C1	REAL300001613156	1	41	0.0	-76.21	339.81	5.16	-71.05
O=C([O-])C1=CC(Cl)=CC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=C1	REAL300001613258	0	48	0.0	-86.19	394.86	11.49	-74.70
O=C([O-])C1=CC(Cl)=CC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=C1	REAL300001613258	1	48	0.0	-80.89	396.04	11.50	-69.39
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300001613394	0	43	0.0	-73.91	344.52	8.78	-65.13
CC(C)[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300001613394	1	43	0.0	-73.71	344.96	8.80	-64.91
C[N@@H+]1CC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300001613395	0	37	0.0	-78.59	319.42	8.14	-70.45
C[N@H+]1CC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300001613395	1	37	0.0	-77.14	321.08	7.80	-69.34
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)N1	REAL300001613419	1	38	0.0	-70.87	336.37	7.28	-63.59
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)=C1	REAL300001613919	0	43	0.0	-80.08	366.48	10.32	-69.76
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C=C1	REAL300001613927	0	44	0.0	-86.07	374.01	9.26	-76.81
O=C([O-])C1=CC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=CC(Cl)=C1	REAL300001614029	0	50	0.0	-78.46	405.54	11.95	-66.51
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC(Cl)=CC(C(=O)[O-])=C3)C=C2)CCO1	REAL300001614031	1	48	0.0	-89.31	391.64	9.65	-79.66
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC(Cl)=CC(C(=O)[O-])=C3)C=C2)CCO1	REAL300001614031	1	48	0.0	-89.44	391.68	9.64	-79.80
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)CC1	REAL300001614077	0	43	0.0	-73.53	338.21	8.67	-64.86
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300001614145	0	46	0.0	-76.11	367.45	9.73	-66.38
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300001614145	1	46	0.0	-76.11	367.45	9.73	-66.38
CC[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300001614146	0	40	0.0	-66.89	321.90	8.45	-58.44
CC[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300001614146	1	40	0.0	-66.89	321.90	8.45	-58.44
CN(C)CC1=CC=C(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)O1	REAL300001614152	0	37	0.0	-85.36	329.33	7.72	-77.64
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)O1	REAL300001614152	1	37	0.0	-85.36	329.33	7.72	-77.64
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300001614158	0	46	0.0	-73.44	356.16	9.11	-64.33
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC(Cl)=CC(C(=O)[O-])=C2)C1	REAL300001614158	1	46	0.0	-73.44	356.16	9.11	-64.33
O=C([O-])C1=CC(Cl)=CC(NC(=O)C23CC(C2)CN3C2CC2)=C1	REAL300001614161	0	39	0.0	-73.45	323.19	8.57	-64.88
O=C([O-])C1=CC(Cl)=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300001614161	1	39	0.0	-77.97	323.14	9.13	-68.84
O=C([O-])C1=CC(Cl)=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=C1	REAL300001614161	1	39	0.0	-77.97	323.14	9.13	-68.84
CC(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001615150	0	46	0.0	-76.77	354.42	8.63	-68.14
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001616261	1	43	0.0	-64.90	349.81	8.10	-56.80
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001616261	1	43	0.0	-67.64	355.65	8.63	-59.01
CC(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300001616303	0	46	0.0	-65.10	350.12	8.13	-56.97
CC1=NC(C[NH+]2CCC(C(=O)NCC(C)C(=O)[O-])CC2)=CS1	REAL300001616335	1	45	0.0	-76.11	362.15	6.44	-69.67
CC(CNC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001616367	0	49	0.0	-76.47	387.68	8.19	-68.28
CC(CNC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001616372	0	49	0.0	-78.20	389.35	10.52	-67.68
CC(CNC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001616372	1	49	0.0	-77.20	388.48	10.52	-66.68
CC(CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001616373	0	49	0.0	-68.05	369.04	9.13	-58.92
CC(CNC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001616399	0	46	0.0	-66.84	369.87	8.81	-58.03
CC(CNC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001616399	1	46	0.0	-65.25	371.73	8.99	-56.26
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001616427	1	46	0.0	-66.85	350.10	8.53	-58.32
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001616427	1	46	0.0	-66.91	359.55	8.67	-58.24
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001616428	1	43	0.0	-65.77	339.49	7.65	-58.12
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001616428	1	43	0.0	-68.59	345.32	8.18	-60.41
CC(CNC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300001616467	0	49	0.0	-78.93	387.78	8.21	-70.72
CC[N@H+](CC1=CC=C(C(=O)NCC(C)C(=O)[O-])C=C1)C(C)C	REAL300001616493	0	48	0.0	-76.68	361.18	8.54	-68.14
CC[N@@H+](CC1=CC=C(C(=O)NCC(C)C(=O)[O-])C=C1)C(C)C	REAL300001616493	1	48	0.0	-76.54	351.98	8.12	-68.42
CC(CNC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300001616507	0	44	0.0	-78.34	334.31	7.10	-71.24
CC(CNC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300001616524	1	48	0.0	-68.49	368.71	6.78	-61.71
CC(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001616530	0	49	0.0	-73.13	377.27	9.49	-63.64
CC(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001616530	1	49	0.0	-64.48	372.70	9.74	-54.74
CC(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300001616559	1	47	0.0	-62.77	362.39	5.39	-57.38
CC(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300001616572	0	46	0.0	-72.81	353.33	8.76	-64.05
CCN1CCC([NH+]2CCC(C(=O)NCC(C)C(=O)[O-])CC2)CC1	REAL300001616577	0	54	0.0	-74.64	389.35	6.40	-68.24
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC(C)C(=O)[O-])=C1	REAL300001616579	0	56	0.0	-75.20	435.46	12.19	-63.01
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC(C)C(=O)[O-])=C1	REAL300001616579	1	56	0.0	-76.78	437.54	12.14	-64.64
CC(CNC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300001616583	1	50	0.0	-82.62	387.48	7.82	-74.80
CC(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001616593	1	47	0.0	-80.94	361.99	7.96	-72.98
CC(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001616593	1	47	0.0	-81.33	362.11	7.93	-73.40
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001616606	0	46	0.0	-62.49	353.79	8.63	-53.86
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001616606	1	46	0.0	-62.74	342.81	8.42	-54.32
CC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300001616609	0	46	0.0	-80.03	353.90	8.74	-71.29
CC(CNC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001616616	0	56	0.0	-71.95	429.34	11.68	-60.27
CC(CNC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001616616	1	56	0.0	-73.16	428.86	11.51	-61.65
CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001616619	1	44	0.0	-71.59	342.23	7.37	-64.22
CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001616619	1	44	0.0	-70.91	340.66	7.31	-63.60
CC(CNC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300001616620	0	53	0.0	-62.05	391.49	10.00	-52.05
CC(CNC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300001616620	1	53	0.0	-64.08	398.68	10.28	-53.80
CC(CNC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001616627	0	52	0.0	-64.90	393.56	9.94	-54.96
CC(CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001616646	0	51	0.0	-76.06	388.79	7.59	-68.47
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300001616647	1	45	0.0	-67.14	348.18	6.85	-60.29
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300001616647	1	45	0.0	-67.20	348.12	6.85	-60.35
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300001616648	1	45	0.0	-63.39	347.16	6.73	-56.66
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300001616648	1	45	0.0	-65.60	339.44	6.70	-58.90
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC(C)C(=O)[O-])CC2)=C1	REAL300001616663	0	51	0.0	-74.48	388.69	7.45	-67.03
CC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001616664	0	48	0.0	-74.29	366.41	6.77	-67.52
CC(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001616666	0	45	0.0	-72.68	351.20	6.93	-65.75
CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001616666	1	45	0.0	-72.54	351.27	6.82	-65.72
CC(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001616688	0	46	0.0	-74.60	356.69	8.58	-66.02
CC(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001616688	1	46	0.0	-75.75	359.30	8.68	-67.07
CC(CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001616701	0	46	0.0	-72.25	361.13	8.70	-63.55
CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001616701	1	46	0.0	-72.28	362.00	8.72	-63.56
CC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001616703	0	47	0.0	-73.99	364.14	6.18	-67.81
CC(CNC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300001616717	1	46	0.0	-81.65	352.03	6.90	-74.75
CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001616727	0	51	0.0	-74.37	386.54	7.45	-66.92
CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001616727	1	51	0.0	-69.79	386.00	7.57	-62.22
CC(C)[N@@H+]1CCC(C(=O)NCC(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001616729	0	52	0.0	-72.74	384.35	7.18	-65.56
CC(C)[N@H+]1CCC(C(=O)NCC(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001616729	1	52	0.0	-79.22	385.67	6.94	-72.28
CC(CNC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300001616730	0	46	0.0	-81.02	350.00	5.82	-75.20
CC(CNC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300001616730	1	46	0.0	-82.28	350.88	5.84	-76.44
CC(CNC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300001616733	0	48	0.0	-71.38	370.44	6.34	-65.04
CC(CNC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300001616734	0	48	0.0	-76.94	369.50	6.16	-70.78
CC(CNC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300001616734	1	48	0.0	-80.85	370.72	6.24	-74.61
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(C)C(=O)[O-])C=C1	REAL300001616735	0	49	0.0	-77.18	378.45	8.09	-69.09
CC(CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001616762	0	50	0.0	-82.54	386.69	6.13	-76.41
CC(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001616764	0	46	0.0	-68.65	355.63	8.65	-60.00
CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001616764	1	46	0.0	-68.92	356.39	8.68	-60.24
CC(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001616804	0	44	0.0	-67.90	347.47	4.87	-63.03
CC(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001616804	1	44	0.0	-66.99	348.21	4.92	-62.07
CC(CNC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300001616807	0	42	0.0	-59.35	338.94	7.29	-52.06
CC[NH+](CC)C(C(=O)NCC(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300001616809	0	48	0.0	-64.61	371.03	8.78	-55.83
CC(C)C(C(=O)NCC(C)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300001616824	1	49	0.0	-62.69	360.06	6.51	-56.18
CC(CNC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001616838	1	44	0.0	-79.34	348.24	7.41	-71.93
CC(CNC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001616838	1	44	0.0	-79.32	348.27	7.41	-71.91
CC1=CC=C(N2CCC(C(=O)NCC(C)C(=O)[O-])CC2)[NH+]=C1	REAL300001616866	1	45	0.0	-70.29	348.51	6.54	-63.75
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC(C)C(=O)[O-])C=C2)CC1	REAL300001616868	0	51	0.0	-79.18	381.47	7.32	-71.86
CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001616885	0	46	0.0	-72.53	356.68	8.54	-63.99
CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001616885	1	46	0.0	-72.37	356.00	8.46	-63.91
CC(CNC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001616898	0	47	0.0	-79.65	377.79	7.94	-71.71
CC(CNC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001616921	0	45	0.0	-72.35	347.55	6.66	-65.69
CC(CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001616921	1	45	0.0	-65.90	347.92	6.78	-59.12
CC(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001617025	0	47	0.0	-74.22	363.38	8.94	-65.28
CC(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001617025	1	47	0.0	-75.19	364.71	9.00	-66.19
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001617045	1	46	0.0	-63.63	360.40	8.69	-54.94
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001617045	1	46	0.0	-68.44	358.63	8.65	-59.79
CC(CNC(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001617290	0	54	0.0	-83.92	418.58	8.63	-75.29
CC(CNC(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001617290	1	54	0.0	-88.56	420.99	8.53	-80.03
CC(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001617313	0	49	0.0	-69.30	373.31	9.37	-59.93
CC(CNC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001617314	1	47	0.0	-82.16	359.99	7.10	-75.06
CC(CNC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001617314	1	47	0.0	-82.39	360.80	7.13	-75.26
CC(CNC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001617338	0	55	0.0	-65.25	394.61	9.82	-55.43
CC(CNC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001617338	1	55	0.0	-80.78	410.32	9.92	-70.86
O=C([O-])C1(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300001618668	0	53	0.0	-64.23	393.95	10.98	-53.25
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CCCC1	REAL300001619449	0	50	0.0	-50.87	373.80	9.65	-41.22
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CCCC1	REAL300001619449	1	50	0.0	-51.91	377.74	10.11	-41.80
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CCCC1	REAL300001620245	1	50	0.0	-53.50	388.43	10.09	-43.41
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CCCC1	REAL300001620245	1	50	0.0	-47.69	390.48	10.15	-37.54
CC1=[NH+]C=C2CCC(C(=O)NCC3(C(=O)[O-])CCCC3)CN21	REAL300001620333	1	45	0.0	-54.34	343.58	8.26	-46.08
O=C([O-])C1(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CCCC1	REAL300001620334	0	53	0.0	-55.03	397.29	10.73	-44.30
CC1=NC(C[NH+]2CCC(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)=CS1	REAL300001620399	1	52	0.0	-63.59	404.02	8.80	-54.79
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300001620474	0	56	0.0	-69.40	429.96	10.30	-59.10
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300001620488	0	56	0.0	-73.43	430.76	12.60	-60.83
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300001620488	1	56	0.0	-73.03	430.71	12.61	-60.42
CC1(C(=O)NCC2(C(=O)[O-])CCCC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300001620489	0	56	0.0	-54.03	407.65	11.10	-42.93
O=C([O-])C1(CNC(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300001620532	0	53	0.0	-53.55	411.42	10.87	-42.68
O=C([O-])C1(CNC(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300001620532	1	53	0.0	-61.62	408.62	11.05	-50.57
C[NH+](C)CC1(C(=O)NCC2(C(=O)[O-])CCCC2)CCCCC1	REAL300001620572	0	52	0.0	-64.85	360.30	9.20	-55.65
C[N@H+](CCC(=O)NCC1(C(=O)[O-])CCCC1)C1CCCCC1	REAL300001620575	0	52	0.0	-57.59	374.31	9.14	-48.45
C[N@@H+](CCC(=O)NCC1(C(=O)[O-])CCCC1)C1CCCCC1	REAL300001620575	1	52	0.0	-57.01	374.31	9.12	-47.89
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CCCC1	REAL300001620599	1	53	0.0	-48.36	401.09	10.75	-37.61
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CCCC1	REAL300001620599	1	53	0.0	-51.00	391.50	10.59	-40.41
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CCCC1	REAL300001620600	1	50	0.0	-54.28	378.11	9.64	-44.64
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CCCC1	REAL300001620600	1	50	0.0	-48.43	380.16	9.70	-38.73
O=C([O-])C1(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCCC1	REAL300001620655	0	46	0.0	-66.51	365.13	8.15	-58.36
C[NH+](C)CCN1N=CC(C(=O)NCC2(C(=O)[O-])CCCC2)=C1C1=CC=CC=C1	REAL300001620660	0	56	0.0	-71.23	431.26	10.42	-60.81
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)CCCC1	REAL300001620686	0	53	0.0	-47.57	372.84	9.29	-38.28
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2C2CCCC2)CCCC1	REAL300001620686	1	53	0.0	-49.37	369.93	9.48	-39.89
O=C([O-])C1(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)CCCC1	REAL300001620687	0	54	0.0	-65.03	387.63	7.81	-57.22
O=C(CCCC[NH+]1CCOCC1)NCC1(C(=O)[O-])CCCC1	REAL300001620715	1	50	0.0	-65.91	374.16	7.14	-58.77
CC[N@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCCC2)C=C1)C(C)C	REAL300001620716	0	55	0.0	-68.33	394.54	10.27	-58.06
CC[N@@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCCC2)C=C1)C(C)C	REAL300001620716	1	55	0.0	-68.09	393.40	10.20	-57.89
O=C([O-])C1(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300001620740	0	50	0.0	-59.32	380.49	10.02	-49.30
O=C([O-])C1(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300001620740	1	50	0.0	-59.14	379.10	9.91	-49.23
O=C([O-])C1(CNC(=O)C2CC[NH+](C3CCSC3)CC2)CCCC1	REAL300001620741	0	51	0.0	-64.49	377.91	9.17	-55.32
C[NH+]1CCN(C(C(=O)NCC2(C(=O)[O-])CCCC2)C2=CC=CC=C2)CC1	REAL300001620763	1	55	0.0	-65.36	412.45	8.69	-56.67
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC1(C(=O)[O-])CCCC1	REAL300001620764	0	54	0.0	-59.34	373.29	7.42	-51.92
CC(C(=O)NCC1(C(=O)[O-])CCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300001620767	0	49	0.0	-53.65	370.59	9.52	-44.13
CC(C(=O)NCC1(C(=O)[O-])CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300001620767	1	49	0.0	-53.04	370.65	9.52	-43.52
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCCC1	REAL300001620777	0	56	0.0	-56.91	413.35	11.78	-45.13
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCCC1	REAL300001620777	1	56	0.0	-61.48	419.53	11.60	-49.88
C[NH+](C)CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCCC2)C=N1	REAL300001620808	0	45	0.0	-67.43	349.82	7.17	-60.26
CCC[NH+](CCC)CCCC(=O)NCC1(C(=O)[O-])CCCC1	REAL300001620820	0	54	0.0	-61.28	393.98	9.46	-51.82
O=C([O-])C1(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CCCC1	REAL300001620821	1	54	0.0	-46.13	404.00	7.49	-38.64
CC[N@H+](C)C(C(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300001620822	0	49	0.0	-53.17	362.82	9.54	-43.63
CC[N@@H+](C)C(C(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300001620822	1	49	0.0	-46.06	368.38	9.68	-36.38
CC[NH+](CC)C(C(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300001620827	0	52	0.0	-51.93	376.10	9.70	-42.23
C[NH+](C)C(C(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=C(Cl)C=C1	REAL300001620833	1	46	0.0	-49.48	367.29	9.55	-39.93
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCCC1	REAL300001620847	0	50	0.0	-69.79	378.86	10.18	-59.61
O=C([O-])C1(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCCC1	REAL300001620854	0	53	0.0	-68.38	395.62	10.88	-57.50
CCN1CCC([NH+]2CCC(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)CC1	REAL300001620860	0	61	0.0	-59.53	429.66	8.36	-51.17
CC1C[NH+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCCC3)C=C2)CC(C)O1	REAL300001620867	1	57	0.0	-73.50	428.88	9.90	-63.60
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NCC1(C(=O)[O-])CCCC1	REAL300001620876	1	54	0.0	-67.23	403.50	10.01	-57.22
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NCC1(C(=O)[O-])CCCC1	REAL300001620876	1	54	0.0	-66.46	410.28	10.06	-56.40
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CCCC1	REAL300001620890	0	53	0.0	-45.88	394.67	10.68	-35.20
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CCCC1	REAL300001620890	1	53	0.0	-47.77	385.07	10.52	-37.25
CC1=C(C(=O)NCC2(C(=O)[O-])CCCC2)C=NN1C1=CC=[NH+]C=C1	REAL300001620892	1	44	0.0	-73.65	350.07	7.39	-66.26
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCCC1	REAL300001620900	0	53	0.0	-70.16	395.60	10.89	-59.27
O=C([O-])C1(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCCC1	REAL300001620912	1	46	0.0	-71.90	359.31	7.63	-64.27
C[NH+](C)CCC1=CC=C(C(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300001620913	0	49	0.0	-73.96	376.54	9.87	-64.09
O=C([O-])C1(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCCC1	REAL300001620921	1	51	0.0	-54.27	390.08	9.54	-44.73
O=C([O-])C1(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCCC1	REAL300001620921	1	51	0.0	-46.80	382.92	9.40	-37.40
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300001620927	0	60	0.0	-62.17	440.14	12.35	-49.82
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300001620927	1	60	0.0	-60.46	432.96	12.08	-48.38
CC(C(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001620935	0	59	0.0	-51.87	428.78	11.88	-39.99
CC(C(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCSCC1	REAL300001620965	1	44	0.0	-55.20	330.17	7.31	-47.89
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1(C(=O)[O-])CCCC1	REAL300001620972	0	49	0.0	-55.58	375.03	9.96	-45.62
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1(C(=O)[O-])CCCC1	REAL300001620972	1	49	0.0	-54.93	372.03	10.17	-44.76
COCCOCC[N@H+](C)CCC(=O)NCC1(C(=O)[O-])CCCC1	REAL300001620973	0	53	0.0	-58.79	404.06	6.16	-52.63
COCCOCC[N@@H+](C)CCC(=O)NCC1(C(=O)[O-])CCCC1	REAL300001620973	1	53	0.0	-58.53	404.07	6.16	-52.37
O=C([O-])C1(CNC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCC1	REAL300001620983	0	58	0.0	-65.20	430.20	9.67	-55.53
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CCCC1	REAL300001620984	1	52	0.0	-54.28	386.60	9.14	-45.14
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CCCC1	REAL300001620984	1	52	0.0	-51.30	380.11	8.78	-42.52
C[N@H+](CC(=O)NCC1(C(=O)[O-])CCCC1)C1CCSC1	REAL300001621009	0	44	0.0	-54.90	335.24	7.78	-47.12
C[N@@H+](CC(=O)NCC1(C(=O)[O-])CCCC1)C1CCSC1	REAL300001621009	1	44	0.0	-56.58	335.23	7.76	-48.82
CC(C)[NH+]1CCN(CCC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300001621020	0	54	0.0	-63.11	386.14	6.32	-56.79
CC(C)N1CC[NH+](CCC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300001621020	1	54	0.0	-57.15	387.75	6.50	-50.65
CC(C)[NH+]1CCN(CCCC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300001621021	0	57	0.0	-63.47	412.75	7.52	-55.95
CC(C)N1CC[NH+](CCCC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300001621021	1	57	0.0	-61.11	409.56	7.36	-53.75
C[NH+](C)CCN1C=C(C(=O)NCC2(C(=O)[O-])CCCC2)C=N1	REAL300001621023	0	46	0.0	-72.44	360.21	7.03	-65.41
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC3(C(=O)[O-])CCCC3)CC2)=C1	REAL300001621028	0	58	0.0	-61.31	430.10	9.55	-51.76
O=C([O-])C1(CNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCC1	REAL300001621030	0	55	0.0	-61.12	408.70	8.88	-52.24
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCCC1	REAL300001621034	0	52	0.0	-61.36	389.92	9.01	-52.35
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCCC1	REAL300001621034	1	52	0.0	-58.56	385.66	9.06	-49.50
CC(C(=O)NCC1(C(=O)[O-])CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001621039	1	50	0.0	-51.58	370.96	10.10	-41.48
CC(C(=O)NCC1(C(=O)[O-])CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001621039	1	50	0.0	-51.20	372.02	10.03	-41.17
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NCC1(C(=O)[O-])CCCC1	REAL300001621067	0	53	0.0	-64.18	398.79	10.69	-53.49
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NCC1(C(=O)[O-])CCCC1	REAL300001621067	1	53	0.0	-63.81	401.47	10.75	-53.06
C[NH+](C)CCN1C=CC(C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300001621079	0	46	0.0	-72.62	360.58	7.05	-65.57
C[NH+](C)CCN1N=CC=C1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300001621080	0	46	0.0	-58.74	356.06	6.96	-51.78
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1(C(=O)[O-])CCCC1	REAL300001621085	1	47	0.0	-53.19	361.85	8.75	-44.44
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCCC1	REAL300001621099	0	53	0.0	-62.66	403.51	10.78	-51.88
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCCC1	REAL300001621099	1	53	0.0	-56.54	395.09	11.04	-45.50
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CCCC1	REAL300001621100	1	49	0.0	-46.38	376.73	8.61	-37.77
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CCCC1	REAL300001621100	1	49	0.0	-48.75	367.42	7.88	-40.87
O=C([O-])C1(CNC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CCCC1	REAL300001621104	0	54	0.0	-60.38	406.45	8.30	-52.08
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300001621149	1	53	0.0	-66.75	393.44	8.98	-57.77
O=C([O-])C1(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)CCCC1	REAL300001621150	0	53	0.0	-53.88	381.49	9.46	-44.42
O=C([O-])C1(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)CCCC1	REAL300001621150	1	53	0.0	-57.17	381.29	9.40	-47.77
O=C([O-])C1(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)CCCC1	REAL300001621170	0	58	0.0	-65.29	428.96	9.53	-55.76
O=C([O-])C1(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)CCCC1	REAL300001621170	1	58	0.0	-58.89	428.32	9.67	-49.22
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1(C(=O)[O-])CCCC1	REAL300001621177	0	50	0.0	-52.27	356.69	6.62	-45.65
CC(C)[N@@H+]1CCC(C(=O)NCC2(C(=O)[O-])CCCC2)C(C2=CN(C)N=C2)C1	REAL300001621180	0	59	0.0	-64.36	423.74	9.19	-55.17
CC(C)[N@H+]1CCC(C(=O)NCC2(C(=O)[O-])CCCC2)C(C2=CN(C)N=C2)C1	REAL300001621180	1	59	0.0	-62.38	427.14	9.00	-53.38
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC2(C(=O)[O-])CCCC2)C=N1	REAL300001621181	0	53	0.0	-64.31	399.87	8.38	-55.93
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC2(C(=O)[O-])CCCC2)C=N1	REAL300001621181	1	53	0.0	-57.91	391.27	8.07	-49.84
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC3(C(=O)[O-])CCCC3)=C2)CC1	REAL300001621187	0	55	0.0	-72.89	412.67	8.44	-64.45
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300001621188	0	55	0.0	-67.16	411.79	8.27	-58.89
CN1CC[NH+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300001621188	1	55	0.0	-70.75	412.13	8.32	-62.43
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300001621189	0	56	0.0	-70.45	415.23	9.87	-60.58
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCCC1	REAL300001621290	0	57	0.0	-73.69	427.29	8.18	-65.51
C[NH+](C)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300001621294	0	46	0.0	-68.55	354.10	9.03	-59.52
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300001621295	0	53	0.0	-59.09	397.08	10.71	-48.38
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300001621295	1	53	0.0	-55.22	390.72	10.93	-44.29
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300001621351	0	46	0.0	-51.34	346.80	9.25	-42.09
CC[NH+]1CCN(CCC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300001621353	0	51	0.0	-64.29	373.34	6.04	-58.25
CCN1CC[NH+](CCC(=O)NCC2(C(=O)[O-])CCCC2)CC1	REAL300001621353	1	51	0.0	-57.29	374.51	6.20	-51.09
CC(C)C(C(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CCCCC1	REAL300001621356	0	52	0.0	-51.87	365.87	9.35	-42.52
C[NH+](C)C(C(=O)NCC1(C(=O)[O-])CCCC1)C1=CC=CC=C1	REAL300001621357	1	46	0.0	-52.99	350.55	9.03	-43.96
O=C([O-])C1(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300001621361	0	51	0.0	-57.19	388.96	6.96	-50.23
O=C([O-])C1(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300001621361	1	51	0.0	-56.76	389.57	7.00	-49.76
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1(C(=O)[O-])CCCC1	REAL300001621366	1	47	0.0	-53.39	365.53	8.81	-44.58
C[NH+](C)CC1=C(C(=O)NCC2(C(=O)[O-])CCCC2)OC2=CC=CC=C21	REAL300001621367	0	49	0.0	-62.23	381.24	9.38	-52.85
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2C2CCCC2)CCCC1	REAL300001621371	0	50	0.0	-50.09	363.19	9.15	-40.94
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2C2CCCC2)CCCC1	REAL300001621371	1	50	0.0	-49.43	359.21	8.91	-40.52
CC(C)C(C(=O)NCC1(C(=O)[O-])CCCC1)[NH+]1CC(C)OC(C)C1	REAL300001621395	1	56	0.0	-46.24	393.66	8.59	-37.65
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3(C(=O)[O-])CCCC3)=CC=C1N2	REAL300001621423	1	51	0.0	-76.07	388.84	9.47	-66.60
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3(C(=O)[O-])CCCC3)=CC=C1N2	REAL300001621423	1	51	0.0	-76.01	389.05	9.43	-66.58
CC[NH+](CC)CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCCC2)O1	REAL300001621475	0	49	0.0	-61.89	376.10	8.72	-53.17
CC1=CC=C(N2CCC(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)[NH+]=C1	REAL300001621476	1	52	0.0	-60.28	389.93	8.63	-51.65
C[N@H+](CC(=O)NCC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300001621477	1	46	0.0	-54.19	352.55	9.12	-45.07
C[N@@H+](CC(=O)NCC1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300001621477	1	46	0.0	-53.57	349.60	9.33	-44.24
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3(C(=O)[O-])CCCC3)C=C2)CC1	REAL300001621480	0	58	0.0	-71.99	422.07	9.38	-62.61
O=C([O-])C1(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCCC1	REAL300001621491	1	41	0.0	-71.64	335.20	6.98	-64.66
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300001621525	0	53	0.0	-60.86	397.04	10.53	-50.33
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300001621525	1	53	0.0	-62.43	398.43	10.68	-51.75
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300001621543	0	54	0.0	-72.23	418.39	10.00	-62.23
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCCC1	REAL300001621561	0	50	0.0	-64.63	382.05	9.22	-55.41
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2(C(=O)[O-])CCCC2)[C@@H](C(F)(F)F)C1	REAL300001621592	0	52	0.0	-60.63	389.80	8.74	-51.89
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2(C(=O)[O-])CCCC2)[C@@H](C(F)(F)F)C1	REAL300001621592	1	52	0.0	-58.57	388.83	8.80	-49.77
O=C([O-])C1(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CCCC1	REAL300001621831	0	54	0.0	-63.04	404.86	11.02	-52.02
O=C([O-])C1(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CCCC1	REAL300001621831	1	54	0.0	-64.83	407.10	10.99	-53.84
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CCCC1	REAL300001621863	1	53	0.0	-56.27	391.58	10.59	-45.68
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CCCC1	REAL300001621863	1	53	0.0	-51.50	391.58	10.58	-40.92
C[N@@H+]1CC(C(=O)NCC2(C(=O)[O-])CCCC2)C(C(F)(F)F)C1	REAL300001621946	0	43	0.0	-55.38	339.88	7.27	-48.11
C[N@H+]1CC(C(=O)NCC2(C(=O)[O-])CCCC2)C(C(F)(F)F)C1	REAL300001621946	1	43	0.0	-51.52	333.02	7.09	-44.43
C[NH+](C)CCC1=CC=CC(C(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300001622378	0	49	0.0	-71.55	376.54	9.86	-61.69
C[NH+](C)CCOC1=CC=C(C(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300001622384	0	50	0.0	-72.50	383.84	8.81	-63.69
O=C([O-])C1(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300001622463	0	56	0.0	-64.21	415.65	11.47	-52.74
CC1C[N@H+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCCC3)C=C2)CCO1	REAL300001622465	1	54	0.0	-72.08	401.46	9.18	-62.90
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCCC3)C=C2)CCO1	REAL300001622465	1	54	0.0	-72.04	401.47	9.20	-62.84
CC(C)C[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300001622551	0	52	0.0	-50.79	368.75	9.49	-41.30
CC(C)C[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300001622551	1	52	0.0	-50.79	368.75	9.49	-41.30
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300001622559	0	52	0.0	-67.80	358.25	8.23	-59.57
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2(C(=O)[O-])CCCC2)C1	REAL300001622559	1	52	0.0	-67.80	358.25	8.23	-59.57
CC(C)(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001623696	0	49	0.0	-79.59	372.46	9.38	-70.21
CC(C)(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001624408	0	46	0.0	-64.72	349.21	8.24	-56.48
CC(C)(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001624408	1	46	0.0	-64.76	349.11	8.24	-56.52
CC(C)(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001625012	1	46	0.0	-67.35	365.89	8.76	-58.59
CC(C)(CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001625012	1	46	0.0	-67.35	365.84	8.76	-58.59
CC(C)(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300001625065	0	49	0.0	-67.25	366.43	8.82	-58.43
CC1=NC(C[NH+]2CCC(C(=O)NCC(C)(C)C(=O)[O-])CC2)=CS1	REAL300001625108	1	48	0.0	-79.47	379.33	7.15	-72.32
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300001625151	0	52	0.0	-78.48	405.45	8.89	-69.59
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300001625159	0	52	0.0	-79.70	406.24	11.21	-68.49
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300001625159	1	52	0.0	-78.82	405.66	11.23	-67.59
CC(C)(CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001625160	0	52	0.0	-69.20	385.12	9.80	-59.40
CC(C)(CNC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001625195	0	49	0.0	-67.59	386.80	9.50	-58.09
CC(C)(CNC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001625195	1	49	0.0	-67.38	388.04	9.69	-57.69
CC(C)(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001625231	1	49	0.0	-69.55	367.05	9.20	-60.35
CC(C)(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001625231	1	49	0.0	-69.49	367.00	9.20	-60.29
CC(C)(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001625232	1	46	0.0	-68.14	355.57	8.31	-59.83
CC(C)(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001625232	1	46	0.0	-68.04	354.94	8.33	-59.71
CC(C)(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300001625272	0	42	0.0	-77.83	340.54	6.76	-71.07
C[NH+](C)CCN1N=CC(C(=O)NCC(C)(C)C(=O)[O-])=C1C1=CC=CC=C1	REAL300001625277	0	52	0.0	-80.69	404.67	8.89	-71.80
CC(C)(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300001625300	0	50	0.0	-66.76	355.99	6.26	-60.50
CC[N@H+](CC1=CC=C(C(=O)NCC(C)(C)C(=O)[O-])C=C1)C(C)C	REAL300001625315	0	51	0.0	-78.38	377.49	9.25	-69.13
CC[N@@H+](CC1=CC=C(C(=O)NCC(C)(C)C(=O)[O-])C=C1)C(C)C	REAL300001625315	1	51	0.0	-78.19	368.29	8.81	-69.38
CC(C)(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001625335	0	46	0.0	-72.91	356.40	8.64	-64.27
CC(C)(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001625335	1	46	0.0	-71.82	355.80	8.65	-63.17
CC(C)(CNC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300001625336	0	47	0.0	-80.97	350.61	7.79	-73.18
C[NH+]1CCN(C(C(=O)NCC(C)(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300001625354	1	51	0.0	-69.25	384.79	7.43	-61.82
CC(C)(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300001625355	0	50	0.0	-73.29	348.11	6.05	-67.24
CC(C)(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001625363	0	52	0.0	-65.88	388.78	10.39	-55.49
CC(C)(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001625363	1	52	0.0	-65.83	388.20	10.42	-55.41
CC(C)(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300001625400	1	50	0.0	-66.32	379.47	6.08	-60.24
CC[NH+](CC)C(C(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300001625405	0	48	0.0	-64.89	353.05	8.41	-56.48
C[NH+](C)C(C(=O)NCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001625406	1	42	0.0	-68.12	342.77	8.15	-59.97
CC(C)(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300001625418	0	46	0.0	-81.26	353.46	8.70	-72.56
CC(C)(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300001625423	0	49	0.0	-74.49	371.10	9.48	-65.01
CCN1CCC([NH+]2CCC(C(=O)NCC(C)(C)C(=O)[O-])CC2)CC1	REAL300001625429	0	57	0.0	-75.77	401.72	6.88	-68.89
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300001625431	0	59	0.0	-80.15	453.50	12.85	-67.30
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC(C)(C)C(=O)[O-])=C1	REAL300001625431	1	59	0.0	-81.55	455.54	12.73	-68.82
CC1C[NH+](CC2=CC=C(C(=O)NCC(C)(C)C(=O)[O-])C=C2)CC(C)O1	REAL300001625435	1	53	0.0	-84.48	403.79	8.53	-75.95
CC(C)(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001625445	1	50	0.0	-83.58	378.93	8.62	-74.96
CC(C)(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001625445	1	50	0.0	-83.53	378.42	8.64	-74.89
CC(C)(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001625460	0	49	0.0	-64.86	370.07	9.33	-55.53
CC(C)(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001625460	1	49	0.0	-64.99	369.42	9.30	-55.69
CC1=C(C(=O)NCC(C)(C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300001625461	1	40	0.0	-79.94	324.97	6.01	-73.93
CC(C)(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300001625468	0	49	0.0	-81.79	370.78	9.43	-72.36
CC(C)(CNC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001625478	0	59	0.0	-73.30	445.71	12.39	-60.91
CC(C)(CNC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001625478	1	59	0.0	-75.71	446.49	12.21	-63.50
CC(C)(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001625483	1	47	0.0	-75.05	357.76	8.02	-67.03
CC(C)(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001625483	1	47	0.0	-74.88	357.81	8.01	-66.87
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC(C)(C)C(=O)[O-]	REAL300001625487	0	56	0.0	-65.26	415.57	10.97	-54.29
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC(C)(C)C(=O)[O-]	REAL300001625487	1	56	0.0	-63.15	408.39	10.69	-52.46
CC(C(=O)NCC(C)(C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001625495	0	55	0.0	-66.35	404.23	10.48	-55.87
COCCOCC[N@H+](C)CCC(=O)NCC(C)(C)C(=O)[O-]	REAL300001625516	0	49	0.0	-72.58	379.51	4.76	-67.82
COCCOCC[N@@H+](C)CCC(=O)NCC(C)(C)C(=O)[O-]	REAL300001625516	1	49	0.0	-73.85	379.56	4.77	-69.08
CC(C)(CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001625525	0	54	0.0	-78.08	405.68	8.28	-69.80
CC(C)(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300001625526	1	48	0.0	-69.66	355.60	7.39	-62.27
CC(C)(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300001625526	1	48	0.0	-69.16	364.44	7.55	-61.61
CC(C)[NH+]1CCN(CCCC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300001625545	0	53	0.0	-71.30	387.65	6.13	-65.17
CC(C)N1CC[NH+](CCCC(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300001625545	1	53	0.0	-73.94	384.54	5.91	-68.03
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC(C)(C)C(=O)[O-])CC2)=C1	REAL300001625549	0	54	0.0	-76.75	405.58	8.14	-68.61
CC(C)(CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001625550	0	51	0.0	-76.86	384.18	7.48	-69.38
CC(C)(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001625553	0	48	0.0	-74.58	367.46	7.58	-67.00
CC(C)(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001625553	1	48	0.0	-69.32	361.09	7.67	-61.65
CC(C(=O)NCC(C)(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300001625556	1	46	0.0	-68.29	345.82	8.71	-59.58
CC(C(=O)NCC(C)(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300001625556	1	46	0.0	-66.93	346.84	8.65	-58.28
CC(C)(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001625579	0	49	0.0	-77.75	375.83	9.38	-68.37
CC(C)(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001625579	1	49	0.0	-77.84	376.84	9.38	-68.46
CC(C)(CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001625595	0	49	0.0	-74.43	378.93	9.45	-64.98
CC(C)(CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001625595	1	49	0.0	-68.48	372.04	9.61	-58.87
CC(C)(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300001625596	1	45	0.0	-61.67	350.15	7.31	-54.36
CC(C)(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300001625596	1	45	0.0	-63.56	344.46	6.45	-57.11
CC(C)(CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001625598	0	50	0.0	-76.64	381.91	6.89	-69.75
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC(C)(C)C(=O)[O-])CC1	REAL300001625618	1	49	0.0	-79.53	372.59	7.71	-71.82
CC(C)(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001625631	0	54	0.0	-75.03	404.28	8.12	-66.91
CC(C)(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001625631	1	54	0.0	-79.42	405.72	8.17	-71.25
CC(C)[N@@H+]1CCC(C(=O)NCC(C)(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001625633	0	55	0.0	-79.71	409.14	8.16	-71.55
CC(C)[N@H+]1CCC(C(=O)NCC(C)(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001625633	1	55	0.0	-74.40	394.09	7.39	-67.01
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC(C)(C)C(=O)[O-])C=N1	REAL300001625634	0	49	0.0	-84.15	367.20	6.53	-77.62
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC(C)(C)C(=O)[O-])C=N1	REAL300001625634	1	49	0.0	-84.08	367.18	6.52	-77.56
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC(C)(C)C(=O)[O-])=C2)CC1	REAL300001625637	0	51	0.0	-77.77	388.16	7.04	-70.73
C[NH+]1CCN(CC2=CC=C(C(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300001625638	0	51	0.0	-79.17	386.69	6.88	-72.29
CN1CC[NH+](CC2=CC=C(C(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300001625638	1	51	0.0	-82.53	387.03	6.94	-75.59
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300001625639	0	52	0.0	-78.73	394.53	8.75	-69.98
CC(C)(CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001625675	0	53	0.0	-84.35	402.18	6.80	-77.55
CC(C)(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001625677	0	49	0.0	-67.22	365.69	9.54	-57.68
CC(C)(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001625677	1	49	0.0	-70.63	371.87	9.34	-61.29
CC(C)(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001625722	0	47	0.0	-69.14	364.17	5.56	-63.58
CC(C)(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001625722	1	47	0.0	-68.98	364.00	5.57	-63.41
C[NH+](C)CC1=C(C(=O)NCC(C)(C)C(=O)[O-])OC2=CC=CC=C21	REAL300001625725	0	45	0.0	-60.69	350.63	7.96	-52.73
CC[NH+](CC)C(C(=O)NCC(C)(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300001625727	0	51	0.0	-67.62	388.79	9.49	-58.13
CC(C)C(C(=O)NCC(C)(C)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300001625750	1	52	0.0	-64.95	376.26	7.28	-57.67
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(C)(C)C(=O)[O-])=CC=C1N2	REAL300001625768	1	47	0.0	-80.36	363.74	8.08	-72.28
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(C)(C)C(=O)[O-])=CC=C1N2	REAL300001625768	1	47	0.0	-80.35	364.53	8.02	-72.33
CC1=CC=C(N2CCC(C(=O)NCC(C)(C)C(=O)[O-])CC2)[NH+]=C1	REAL300001625812	1	48	0.0	-72.23	364.83	7.23	-65.00
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300001625815	0	54	0.0	-80.94	397.55	7.99	-72.95
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(C)(C)C(=O)[O-]	REAL300001625843	0	49	0.0	-74.43	372.30	9.16	-65.27
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(C)(C)C(=O)[O-]	REAL300001625843	1	49	0.0	-74.41	372.79	9.21	-65.20
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300001625857	0	50	0.0	-81.07	393.28	8.62	-72.45
CC(C)(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300001625869	0	46	0.0	-77.77	357.53	7.83	-69.94
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC(C)(C)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300001625888	0	48	0.0	-74.69	365.33	7.36	-67.33
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC(C)(C)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300001625888	1	48	0.0	-68.79	364.26	7.43	-61.36
CC(C)(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001626040	0	50	0.0	-75.95	379.61	9.67	-66.28
CC(C)(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001626040	1	50	0.0	-76.79	381.18	9.62	-67.17
CC(C)(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001626067	1	49	0.0	-70.96	367.05	9.20	-61.76
CC(C)(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001626067	1	49	0.0	-66.39	366.39	9.22	-57.17
C[NH+](C)CCOC1=CC=C(C(=O)NCC(C)(C)C(=O)[O-])C=C1	REAL300001626397	0	46	0.0	-81.36	359.33	7.42	-73.94
CC(C)(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001626446	0	52	0.0	-71.50	391.08	10.08	-61.42
CC1C[N@H+](CC2=CC=C(C(=O)NCC(C)(C)C(=O)[O-])C=C2)CCO1	REAL300001626448	1	50	0.0	-83.88	376.30	7.80	-76.08
CC1C[N@@H+](CC2=CC=C(C(=O)NCC(C)(C)C(=O)[O-])C=C2)CCO1	REAL300001626448	1	50	0.0	-84.18	376.94	7.80	-76.38
CC(C)(C)[N@@H+]1CC[C@H](C(=O)NCC(C)(C)C(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300001626486	0	58	0.0	-83.54	426.64	10.61	-72.93
CC(C)(C)[N@H+]1CC[C@H](C(=O)NCC(C)(C)C(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300001626486	1	58	0.0	-83.54	426.64	10.61	-72.93
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C3CC[NH+](C4CC4)CC3)C=C2)CC1	REAL300001627193	0	58	0.0	-82.81	438.53	10.45	-72.36
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C3CCC[N@@H+]3C3CC3)C=C2)CC1	REAL300001627205	1	55	0.0	-75.11	422.18	9.90	-65.21
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C3CCC[N@H+]3C3CC3)C=C2)CC1	REAL300001627205	1	55	0.0	-77.59	412.60	9.23	-68.36
C[NH+](C)CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627237	1	47	0.0	-83.14	365.73	7.44	-75.70
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627238	1	54	0.0	-80.59	395.46	8.80	-71.79
C[N@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627238	1	54	0.0	-78.62	395.87	8.79	-69.83
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627255	1	54	0.0	-77.04	405.33	8.98	-68.06
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627255	1	54	0.0	-79.01	395.06	8.79	-70.22
C[NH+]1CCC(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300001627272	0	54	0.0	-86.17	409.43	9.05	-77.12
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C3=CN4C=[NH+]C=C4C=C3)C=C2)CC1	REAL300001627289	0	49	0.0	-82.14	394.52	10.89	-71.25
C[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627313	1	51	0.0	-82.22	383.47	7.95	-74.27
C[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627313	1	51	0.0	-81.39	382.61	7.94	-73.45
C[NH+]1CCC(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300001627340	0	54	0.0	-86.17	409.43	9.05	-77.12
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627361	1	55	0.0	-78.73	435.34	10.30	-68.43
C[C@@H](C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)[NH+](C)C	REAL300001627365	0	50	0.0	-81.93	382.44	7.83	-74.10
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627366	1	51	0.0	-78.47	382.15	7.92	-70.55
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627366	1	51	0.0	-79.91	389.86	8.43	-71.48
C[C@H](C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)[NH+](C)C	REAL300001627370	0	50	0.0	-80.92	381.31	7.85	-73.07
C[NH+](C)C1(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300001627378	1	51	0.0	-87.33	387.08	8.76	-78.57
CCC(C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)[NH+](CC)CC	REAL300001627425	0	59	0.0	-75.34	428.64	9.81	-65.53
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627442	1	55	0.0	-77.09	429.97	10.11	-66.98
C[NH+](C)CC1(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300001627449	0	54	0.0	-84.05	416.31	9.17	-74.88
C[NH+](C)CCCCC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627453	0	56	0.0	-83.55	429.73	9.52	-74.03
CC(C)C(C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)[NH+](C)C	REAL300001627462	0	56	0.0	-80.35	409.92	8.95	-71.40
CCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627476	0	53	0.0	-83.00	403.59	8.80	-74.20
CCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627476	1	53	0.0	-82.86	404.96	8.86	-74.00
C[N@H+](CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)C1CCC1	REAL300001627486	0	54	0.0	-80.40	410.45	9.37	-71.03
C[N@@H+](CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)C1CCC1	REAL300001627486	1	54	0.0	-81.03	410.59	9.38	-71.65
C[N@H+](CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)CC(C)(C)C	REAL300001627495	0	59	0.0	-83.32	435.13	9.87	-73.45
C[N@@H+](CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)CC(C)(C)C	REAL300001627495	1	59	0.0	-82.98	434.32	9.97	-73.01
CC[C@@H](C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)[NH+](C)C	REAL300001627497	0	53	0.0	-79.58	393.74	8.51	-71.07
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C34CCC[NH+]3CCC4)C=C2)CC1	REAL300001627521	0	55	0.0	-80.56	408.70	9.30	-71.26
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C3=CC4=C[NH+]=CN4C=C3)C=C2)CC1	REAL300001627527	1	49	0.0	-87.03	395.05	10.92	-76.11
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C3CCCC4CCC[N@@H+]43)C=C2)CC1	REAL300001627542	0	58	0.0	-73.58	428.89	10.23	-63.35
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C3CCCC4CCC[N@H+]43)C=C2)CC1	REAL300001627542	1	58	0.0	-78.06	419.95	9.94	-68.12
CCCC(C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)[NH+](C)C	REAL300001627554	0	56	0.0	-81.92	419.85	9.36	-72.56
C[C@@H]1[C@H](C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC[N@@H+]1C	REAL300001627561	0	54	0.0	-81.80	402.68	8.55	-73.25
C[C@@H]1[C@H](C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC[N@H+]1C	REAL300001627561	1	54	0.0	-85.55	406.84	8.61	-76.94
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC[N@@H+]1C	REAL300001627564	0	57	0.0	-80.09	418.84	9.05	-71.04
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC[N@H+]1C	REAL300001627564	1	57	0.0	-83.29	426.21	9.43	-73.86
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)O1	REAL300001627569	1	55	0.0	-91.09	418.81	8.38	-82.71
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)O1	REAL300001627569	1	55	0.0	-90.23	423.11	8.48	-81.75
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C[NH+]3CCCC3)C=C2)CC1	REAL300001627572	1	51	0.0	-81.77	389.11	8.45	-73.32
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627574	1	49	0.0	-78.15	393.79	9.00	-69.15
CC1CC[NH+](CC(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300001627590	1	57	0.0	-83.54	426.92	9.87	-73.67
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)C1	REAL300001627593	1	55	0.0	-87.82	419.71	8.40	-79.42
CC[N@H+]1CCOC(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)C1	REAL300001627593	1	55	0.0	-88.46	419.21	8.39	-80.07
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627605	0	57	0.0	-81.65	430.24	9.81	-71.84
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627605	1	57	0.0	-80.61	423.68	9.35	-71.26
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C34CCC[NH+](CCC3)C4)C=C2)CC1	REAL300001627610	0	58	0.0	-80.54	421.41	9.56	-70.98
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627611	1	55	0.0	-84.42	411.21	5.59	-78.83
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627611	1	55	0.0	-86.36	409.80	5.60	-80.76
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C3CCC4CCCC[N@@H+]43)C=C2)CC1	REAL300001627612	0	58	0.0	-77.77	430.94	10.33	-67.44
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C3CCC4CCCC[N@H+]43)C=C2)CC1	REAL300001627612	1	58	0.0	-77.23	422.62	9.88	-67.35
CC[NH+](CC)CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627619	0	53	0.0	-81.90	396.19	8.52	-73.38
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C34CC[NH+](CC3)C4)C=C2)CC1	REAL300001627651	0	52	0.0	-82.63	396.71	7.93	-74.70
CCC(C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)[NH+](C)C	REAL300001627654	0	53	0.0	-79.14	395.22	8.48	-70.66
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C34CC[N@H+](C3)CCC4)C=C2)CC1	REAL300001627656	0	55	0.0	-80.83	405.89	8.62	-72.21
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C34CC[N@@H+](C3)CCC4)C=C2)CC1	REAL300001627656	1	55	0.0	-90.68	402.09	8.62	-82.06
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627677	0	57	0.0	-79.51	422.48	9.30	-70.21
C[NH+](C)C1(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CCC1	REAL300001627693	0	54	0.0	-88.32	396.70	8.89	-79.43
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC1	REAL300001627701	0	56	0.0	-86.41	433.89	10.20	-76.21
CC(C)[N@H+](C)CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627702	0	53	0.0	-80.14	398.77	8.58	-71.56
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627702	1	53	0.0	-80.24	400.15	8.64	-71.60
CC[N@H+](CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)C1CC1	REAL300001627710	0	54	0.0	-78.99	412.95	9.42	-69.57
CC[N@@H+](CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)C1CC1	REAL300001627710	1	54	0.0	-79.71	409.72	9.21	-70.50
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627718	1	51	0.0	-79.22	389.31	8.33	-70.89
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627718	1	51	0.0	-79.63	382.11	7.91	-71.72
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627749	0	53	0.0	-81.86	403.32	7.10	-74.76
CC(C)[C@@H](C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)[NH+](C)C	REAL300001627755	0	56	0.0	-78.44	412.44	9.61	-68.83
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627779	0	57	0.0	-76.72	422.87	9.46	-67.26
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300001627779	1	57	0.0	-76.01	425.65	9.55	-66.46
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)N1	REAL300001627943	1	55	0.0	-77.28	434.59	8.68	-68.60
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)C1	REAL300001628165	0	54	0.0	-82.05	410.85	9.04	-73.01
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)C1	REAL300001628191	0	57	0.0	-79.55	426.76	9.65	-69.90
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)C1	REAL300001628191	1	57	0.0	-79.55	426.76	9.65	-69.90
C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)C1	REAL300001628195	0	54	0.0	-75.46	402.31	9.19	-66.27
C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)C1	REAL300001628195	1	54	0.0	-75.46	402.31	9.19	-66.27
CN(C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)O1	REAL300001628197	0	54	0.0	-85.06	428.06	9.11	-75.95
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)O1	REAL300001628197	1	54	0.0	-85.06	428.06	9.11	-75.95
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C34CC(C3)CN4C3CC3)C=C2)CC1	REAL300001628200	0	56	0.0	-76.51	419.14	9.97	-66.54
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C34CC(C3)C[N@@H+]4C3CC3)C=C2)CC1	REAL300001628200	1	56	0.0	-82.97	418.36	10.32	-72.65
O=C([O-])C1CCN(C(=O)C2=CC=C(NC(=O)C34CC(C3)C[N@H+]4C3CC3)C=C2)CC1	REAL300001628200	1	56	0.0	-82.97	418.36	10.32	-72.65
CC(C)CC(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001629520	0	55	0.0	-66.20	416.02	10.63	-55.57
CC(C)CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001630297	0	52	0.0	-52.41	392.98	9.55	-42.86
CC(C)CC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001630297	1	52	0.0	-53.60	398.81	10.09	-43.51
CC(C)CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001631099	1	52	0.0	-52.04	404.23	10.27	-41.77
CC(C)CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001631099	1	52	0.0	-53.53	410.06	10.80	-42.73
CC1=[NH+]C=C2CCC(C(=O)NCC(CC(C)C)C(=O)[O-])CN21	REAL300001631191	1	47	0.0	-55.74	363.54	8.22	-47.52
CC(C)CC(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300001631192	0	55	0.0	-54.62	410.83	10.13	-44.49
CC1=NC(C[NH+]2CCC(C(=O)NCC(CC(C)C)C(=O)[O-])CC2)=CS1	REAL300001631257	1	54	0.0	-64.91	423.68	8.43	-56.48
CC(C)CC(CNC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001631335	0	58	0.0	-71.14	449.27	10.20	-60.94
CC(C)CC(CNC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001631349	0	58	0.0	-70.51	443.60	12.68	-57.83
CC(C)CC(CNC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001631349	1	58	0.0	-70.00	443.61	12.69	-57.31
CC(C)CC(CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001631350	0	58	0.0	-52.07	428.95	11.11	-40.96
CC(C)CC(CNC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300001631433	0	54	0.0	-64.50	383.62	8.80	-55.70
CC(C)CC(CNC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300001631436	0	54	0.0	-56.42	388.50	9.12	-47.30
CC(C)CC(CNC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300001631436	1	54	0.0	-59.24	393.62	9.03	-50.21
CC(C)CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001631460	1	55	0.0	-56.30	420.21	10.64	-45.66
CC(C)CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001631460	1	55	0.0	-56.38	420.17	10.63	-45.75
CC(C)CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001631461	1	52	0.0	-50.91	393.12	9.82	-41.09
CC(C)CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001631461	1	52	0.0	-54.46	399.74	10.34	-44.12
CC(C)CC(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300001631515	0	48	0.0	-70.97	384.54	8.07	-62.90
CC(C)CC(CNC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300001631520	0	58	0.0	-72.04	443.37	10.28	-61.76
CC(C)CC(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300001631546	0	55	0.0	-49.67	391.87	9.19	-40.48
CC(C)CC(CNC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300001631546	1	55	0.0	-48.16	383.24	9.39	-38.77
CC(C)CC(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300001631547	0	56	0.0	-67.01	406.93	7.73	-59.28
CC(C)CC(CNC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300001631575	1	52	0.0	-64.59	387.98	7.23	-57.36
CC[N@H+](CC1=CC=C(C(=O)NCC(CC(C)C)C(=O)[O-])C=C1)C(C)C	REAL300001631577	0	57	0.0	-69.34	421.83	10.53	-58.81
CC[N@@H+](CC1=CC=C(C(=O)NCC(CC(C)C)C(=O)[O-])C=C1)C(C)C	REAL300001631577	1	57	0.0	-69.46	412.65	10.10	-59.36
CC(C)CC(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001631601	0	52	0.0	-57.36	394.64	10.08	-47.28
CC(C)CC(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001631601	1	52	0.0	-54.94	393.76	10.14	-44.80
CC(C)CC(CNC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300001631602	0	53	0.0	-69.28	394.97	9.06	-60.22
CC(C)CC(CNC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300001631625	1	57	0.0	-65.50	428.61	8.75	-56.75
CC(C)CC(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300001631626	0	56	0.0	-57.74	387.41	7.42	-50.32
CC(C)CC(CNC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300001631629	0	51	0.0	-48.97	385.08	9.49	-39.48
CC(C)CC(CNC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300001631629	1	51	0.0	-55.58	390.14	9.44	-46.14
CC(C)CC(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001631639	0	58	0.0	-62.19	436.15	11.51	-50.68
CC(C)CC(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001631639	1	58	0.0	-58.99	432.41	11.67	-47.32
CC(C)CC(CNC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300001631670	0	47	0.0	-67.65	364.04	7.15	-60.50
CCC[NH+](CCC)CCCC(=O)NCC(CC(C)C)C(=O)[O-]	REAL300001631681	0	56	0.0	-59.31	412.66	9.73	-49.58
CC(C)CC(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300001631682	1	56	0.0	-52.09	419.68	7.47	-44.62
CC[N@H+](C)C(C(=O)NCC(CC(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300001631683	0	51	0.0	-50.13	376.11	9.56	-40.57
CC[N@@H+](C)C(C(=O)NCC(CC(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300001631683	1	51	0.0	-49.42	382.61	9.66	-39.76
CC[NH+](CC)C(C(=O)NCC(CC(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300001631688	0	54	0.0	-53.15	396.82	9.70	-43.45
CC(C)CC(CNC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300001631694	1	48	0.0	-51.99	386.66	9.46	-42.53
CC(C)CC(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300001631708	0	52	0.0	-69.68	392.17	10.10	-59.58
CC(C)CC(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300001631715	0	55	0.0	-69.71	414.86	10.77	-58.94
CCN1CCC([NH+]2CCC(C(=O)NCC(CC(C)C)C(=O)[O-])CC2)CC1	REAL300001631721	0	63	0.0	-58.56	444.95	8.47	-50.09
CC(C)CC(CNC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300001631728	1	59	0.0	-73.77	448.20	9.82	-63.95
CC(C)CC(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001631737	1	56	0.0	-69.91	422.73	9.93	-59.98
CC(C)CC(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001631737	1	56	0.0	-65.44	416.36	10.10	-55.34
CC(C)CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001631751	0	55	0.0	-52.58	413.81	10.57	-42.01
CC(C)CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001631751	1	55	0.0	-46.09	398.68	10.50	-35.59
CC1=C(C(=O)NCC(CC(C)C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300001631753	1	46	0.0	-71.60	364.26	7.37	-64.23
CC(C)CC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300001631761	0	55	0.0	-72.70	414.55	10.73	-61.97
CC(C)CC(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300001631773	1	48	0.0	-71.32	373.50	7.62	-63.70
CC(C)CC(CNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001631774	0	51	0.0	-75.13	395.85	9.78	-65.35
CC(C)CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001631782	1	53	0.0	-62.28	402.15	9.29	-52.99
CC(C)CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001631782	1	53	0.0	-50.51	402.20	9.30	-41.21
CC(C)CC(CNC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300001631788	0	62	0.0	-62.49	452.27	12.00	-50.49
CC(C)CC(CNC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300001631788	1	62	0.0	-63.36	459.39	12.28	-51.08
CC(C)CC(CNC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001631796	0	61	0.0	-54.41	453.52	11.92	-42.49
CC(C)CC(CNC(=O)C(C)[NH+]1CCSCC1)C(=O)[O-]	REAL300001631828	1	46	0.0	-53.35	349.92	7.33	-46.02
CC(C)CC(CNC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300001631835	0	51	0.0	-57.75	394.28	9.87	-47.88
CC(C)CC(CNC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300001631835	1	51	0.0	-54.01	389.23	9.96	-44.05
COCCOCC[N@H+](C)CCC(=O)NCC(CC(C)C)C(=O)[O-]	REAL300001631836	0	55	0.0	-56.54	418.23	6.14	-50.40
COCCOCC[N@@H+](C)CCC(=O)NCC(CC(C)C)C(=O)[O-]	REAL300001631836	1	55	0.0	-60.97	420.70	6.06	-54.91
CC(C)CC(CNC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300001631839	0	49	0.0	-50.96	359.08	6.00	-44.96
CC(C)CC(CNC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300001631839	1	49	0.0	-55.96	355.81	5.60	-50.36
CC(C)CC(CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001631847	0	60	0.0	-64.01	444.02	9.79	-54.22
CC(C)CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300001631848	1	54	0.0	-56.54	408.83	8.83	-47.71
CC(C)CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300001631848	1	54	0.0	-49.71	393.68	8.76	-40.95
CC(C)CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300001631849	1	54	0.0	-48.79	392.76	8.78	-40.01
CC(C)CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300001631849	1	54	0.0	-50.89	392.87	8.84	-42.05
CCCCCC[N@H+](C)CC(=O)NCC(CC(C)C)C(=O)[O-]	REAL300001631850	0	53	0.0	-55.30	398.93	9.20	-46.10
CCCCCC[N@@H+](C)CC(=O)NCC(CC(C)C)C(=O)[O-]	REAL300001631850	1	53	0.0	-55.32	398.87	9.18	-46.14
CC(C)CC(CNC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300001631874	0	46	0.0	-58.94	354.49	7.65	-51.29
CC(C)CC(CNC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300001631874	1	46	0.0	-57.98	355.93	7.69	-50.29
CC(C)CC(CNC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300001631885	0	56	0.0	-62.42	410.55	6.63	-55.79
CC(C)CC(CNC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300001631885	1	56	0.0	-59.65	406.87	6.42	-53.23
CC(C)CC(CNC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300001631886	0	59	0.0	-62.44	429.37	7.40	-55.04
CC(C)CC(CNC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300001631886	1	59	0.0	-59.88	422.89	7.40	-52.48
CC(C)CC(CNC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300001631888	0	48	0.0	-75.11	379.52	6.94	-68.17
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC(CC(C)C)C(=O)[O-])CC2)=C1	REAL300001631893	0	60	0.0	-63.52	449.39	9.46	-54.06
CC(C)CC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001631895	0	57	0.0	-59.79	422.51	8.98	-50.81
CC(C)CC(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001631899	0	54	0.0	-64.66	411.23	8.86	-55.80
CC(C)CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001631899	1	54	0.0	-64.67	411.15	8.87	-55.80
CC(C)CC(CNC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300001631904	1	52	0.0	-52.03	390.66	9.95	-42.08
CC(C)CC(CNC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300001631904	1	52	0.0	-54.17	390.19	10.00	-44.17
CC(C)CC(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001631932	0	55	0.0	-66.56	420.19	10.66	-55.90
CC(C)CC(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001631932	1	55	0.0	-62.16	413.57	10.85	-51.31
CC(C)CC(CNC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001631944	0	48	0.0	-70.32	373.42	7.13	-63.19
CC(C)CC(CNC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300001631945	0	48	0.0	-60.23	373.86	6.87	-53.36
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(CC(C)C)C(=O)[O-]	REAL300001631950	1	49	0.0	-52.18	376.04	8.73	-43.45
CC(C)CC(CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001631964	0	55	0.0	-64.56	422.76	10.71	-53.85
CC(C)CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001631964	1	55	0.0	-64.89	422.71	10.71	-54.18
CC(C)CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300001631965	1	51	0.0	-50.68	396.06	8.52	-42.16
CC(C)CC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300001631965	1	51	0.0	-53.92	392.92	8.29	-45.63
CC(C)CC(CNC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300001631969	0	49	0.0	-57.08	365.91	6.32	-50.76
CC(C)CC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001631970	0	56	0.0	-62.79	425.73	8.21	-54.58
CC(C)CC(CNC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300001632016	1	55	0.0	-68.90	412.69	8.87	-60.03
CC(C)CC(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300001632017	0	55	0.0	-58.85	400.69	9.37	-49.48
CC(C)CC(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300001632017	1	55	0.0	-56.46	395.42	9.40	-47.06
CC(C)CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001632037	0	60	0.0	-62.90	441.29	9.77	-53.13
CC(C)CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001632037	1	60	0.0	-67.30	449.52	9.48	-57.82
CC(C)CC(CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300001632044	0	52	0.0	-60.63	376.05	6.54	-54.09
CC(C)CC(CNC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300001632047	0	61	0.0	-68.63	453.52	9.45	-59.18
CC(C)CC(CNC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300001632047	1	61	0.0	-56.08	438.48	8.65	-47.43
CC(C)CC(CNC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300001632048	0	55	0.0	-73.45	411.59	7.83	-65.62
CC(C)CC(CNC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300001632048	1	55	0.0	-66.82	398.41	7.73	-59.09
CC(C)CC(CNC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300001632054	0	57	0.0	-70.67	432.03	8.35	-62.32
CC(C)CC(CNC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300001632055	0	57	0.0	-68.58	431.09	8.18	-60.40
CC(C)CC(CNC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300001632055	1	57	0.0	-70.63	426.33	8.32	-62.31
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(CC(C)C)C(=O)[O-])C=C1	REAL300001632056	0	58	0.0	-69.48	431.03	9.84	-59.64
CC(C)CC(CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001632158	0	59	0.0	-73.93	446.54	8.08	-65.85
CC(C)CC(CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300001632162	0	48	0.0	-70.21	373.30	8.92	-61.29
CC(C)CC(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001632163	0	55	0.0	-60.89	416.27	10.62	-50.27
CC(C)CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001632163	1	55	0.0	-59.94	416.25	10.62	-49.32
CC(C)CC(CNC(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300001632219	0	48	0.0	-47.67	361.17	9.28	-38.39
CC[NH+]1CCN(CCC(=O)NCC(CC(C)C)C(=O)[O-])CC1	REAL300001632221	0	53	0.0	-62.96	387.16	6.16	-56.80
CCN1CC[NH+](CCC(=O)NCC(CC(C)C)C(=O)[O-])CC1	REAL300001632221	1	53	0.0	-59.27	393.75	6.09	-53.18
CC(C)CC(CNC(=O)C(C(C)C)[NH+]1CCCCC1)C(=O)[O-]	REAL300001632224	0	54	0.0	-53.04	380.89	9.40	-43.64
CC(C)CC(CNC(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300001632225	1	48	0.0	-46.64	364.41	9.13	-37.51
CC(C)CC(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001632229	0	53	0.0	-57.23	408.17	6.87	-50.36
CC(C)CC(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001632229	1	53	0.0	-55.43	402.92	7.06	-48.37
CC(C)CC(CNC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300001632234	1	49	0.0	-53.54	377.95	8.58	-44.96
CC(C)CC(CNC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300001632235	0	51	0.0	-55.76	388.00	9.44	-46.32
CC(C)CC(CNC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300001632239	0	52	0.0	-50.48	365.47	8.89	-41.59
CC(C)CC(CNC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300001632239	1	52	0.0	-52.00	372.70	8.86	-43.14
CC(C)CC(CNC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300001632263	1	58	0.0	-47.47	414.59	8.77	-38.70
CC(C)CC(CNC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001632290	1	53	0.0	-74.49	403.12	9.52	-64.97
CC(C)CC(CNC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001632290	1	53	0.0	-74.24	403.11	9.52	-64.72
CC[NH+](CC)CC1=CC=C(C(=O)NCC(CC(C)C)C(=O)[O-])O1	REAL300001632343	0	51	0.0	-65.51	394.66	8.61	-56.90
CC1=CC=C(N2CCC(C(=O)NCC(CC(C)C)C(=O)[O-])CC2)[NH+]=C1	REAL300001632344	1	54	0.0	-62.02	409.17	8.51	-53.51
CC(C)CC(CNC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300001632345	1	48	0.0	-55.36	369.18	9.01	-46.35
CC(C)CC(CNC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300001632345	1	48	0.0	-53.34	366.75	9.11	-44.23
CC(C)CC(CNC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300001632348	0	60	0.0	-70.48	435.88	9.50	-60.98
CC(C)CC(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300001632359	1	43	0.0	-73.13	354.45	6.87	-66.26
CC(C)CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001632393	0	55	0.0	-64.74	421.11	10.56	-54.18
CC(C)CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001632393	1	55	0.0	-62.21	414.18	10.49	-51.72
CC(C)CC(CNC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001632411	0	56	0.0	-70.83	432.21	10.09	-60.74
CC(C)CC(CNC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300001632426	0	49	0.0	-66.20	369.67	7.74	-58.46
CC(C)CC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300001632430	0	52	0.0	-67.36	401.33	9.13	-58.23
CC(C)CC(CNC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001632461	0	54	0.0	-61.97	409.07	8.64	-53.33
CC(C)CC(CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001632461	1	54	0.0	-54.85	401.64	8.87	-45.98
CC(C)CC(CNC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300001632621	0	49	0.0	-51.41	363.88	4.70	-46.71
CC(C)CC(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001632706	0	56	0.0	-53.93	424.11	10.94	-42.99
CC(C)CC(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001632706	1	56	0.0	-55.38	424.72	10.94	-44.44
CC(C)CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001632738	1	55	0.0	-49.07	404.31	10.70	-38.37
CC(C)CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001632738	1	55	0.0	-55.24	410.76	10.49	-44.75
CC(C)CC(CNC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300001632821	0	45	0.0	-54.98	352.58	6.96	-48.02
CC(C)CC(CNC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300001632821	1	45	0.0	-67.39	342.11	7.16	-60.23
CC(C)CC(CNC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300001633254	0	51	0.0	-72.74	395.80	9.75	-62.99
CC(C)CC(CNC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001633260	0	52	0.0	-72.75	403.09	8.73	-64.02
CC(C)CC(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001633339	0	58	0.0	-65.14	434.91	11.39	-53.75
CC(C)CC(CNC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001633341	1	56	0.0	-73.55	420.65	9.09	-64.46
CC(C)CC(CNC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001633341	1	56	0.0	-70.72	415.22	9.30	-61.42
CC(C)CC(CNC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300001633425	0	54	0.0	-55.24	390.12	9.36	-45.88
CC(C)CC(CNC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300001633425	1	54	0.0	-55.24	390.12	9.36	-45.88
CC(C)CC(CNC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300001633433	0	54	0.0	-69.51	377.55	8.12	-61.39
CC(C)CC(CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300001633433	1	54	0.0	-69.51	377.55	8.12	-61.39
O=C([O-])C(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300001634740	0	53	0.0	-64.72	413.03	11.50	-53.22
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300001635477	0	50	0.0	-48.01	389.67	10.36	-37.65
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300001635477	1	50	0.0	-53.03	395.77	10.92	-42.11
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300001636346	1	50	0.0	-49.61	406.46	10.90	-38.71
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300001636346	1	50	0.0	-53.90	406.42	10.89	-43.01
O=C([O-])C(CNC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=CC=C1	REAL300001636427	0	47	0.0	-62.09	361.33	9.12	-52.97
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CC1)C1=CC=CC=C1	REAL300001636458	0	44	0.0	-50.16	349.38	8.76	-41.40
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CC1)C1=CC=CC=C1	REAL300001636458	1	44	0.0	-48.52	343.52	8.94	-39.58
CC1=[NH+]C=C2CCC(C(=O)NCC(C(=O)[O-])C3=CC=CC=C3)CN21	REAL300001636464	1	45	0.0	-55.46	359.50	9.01	-46.45
O=C([O-])C(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1=CC=CC=C1	REAL300001636465	0	53	0.0	-53.67	416.43	11.71	-41.96
CC1=NC(C[NH+]2CCC(C(=O)NCC(C(=O)[O-])C3=CC=CC=C3)CC2)=CS1	REAL300001636546	1	52	0.0	-65.46	420.42	9.26	-56.20
CC(C(=O)NCC(C(=O)[O-])C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300001636547	1	48	0.0	-64.93	365.14	6.10	-58.83
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300001636634	0	56	0.0	-69.29	443.95	11.19	-58.10
CC1(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300001636647	0	56	0.0	-52.01	425.64	11.92	-40.09
O=C([O-])C(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=CC=C1	REAL300001636706	0	38	0.0	-64.17	322.05	9.75	-54.42
C[NH+](C)CC1(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)CCCCC1	REAL300001636737	0	52	0.0	-60.70	375.36	10.29	-50.41
C[N@H+](CCC(=O)NCC(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300001636742	0	52	0.0	-58.88	391.09	10.13	-48.75
C[N@@H+](CCC(=O)NCC(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300001636742	1	52	0.0	-59.51	390.30	9.86	-49.65
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300001636763	1	53	0.0	-52.93	407.55	11.32	-41.61
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300001636763	1	53	0.0	-49.85	417.70	11.75	-38.10
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300001636764	1	50	0.0	-50.28	396.14	10.45	-39.83
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300001636764	1	50	0.0	-54.63	396.10	10.44	-44.19
O=C([O-])C(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=CC=C1	REAL300001636820	0	46	0.0	-68.71	381.12	8.88	-59.83
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)C1=CC=CC=C1	REAL300001636847	0	53	0.0	-50.06	388.78	10.03	-40.03
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1C1CCCC1)C1=CC=CC=C1	REAL300001636847	1	53	0.0	-51.64	384.55	10.20	-41.44
O=C([O-])C(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=CC=CC=C1	REAL300001636848	0	54	0.0	-61.29	396.19	8.73	-52.56
CC1=[NH+]C=CN1CCCC(=O)NCC(C(=O)[O-])C1=CC=CC=C1	REAL300001636879	1	44	0.0	-59.95	362.86	9.17	-50.78
O=C([O-])C(CNC(=O)CCCC[NH+]1CCOCC1)C1=CC=CC=C1	REAL300001636880	1	50	0.0	-67.59	390.16	7.86	-59.73
CC[N@H+](CC1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300001636882	0	55	0.0	-68.34	415.02	11.20	-57.14
CC[N@@H+](CC1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300001636882	1	55	0.0	-69.72	409.35	10.93	-58.79
O=C([O-])C(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300001636907	0	50	0.0	-60.36	395.01	10.64	-49.72
O=C([O-])C(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300001636907	1	50	0.0	-60.81	396.37	10.75	-50.06
O=C([O-])C(CNC(=O)C1CC[NH+](C2CCSC2)CC1)C1=CC=CC=C1	REAL300001636908	0	51	0.0	-67.82	390.82	10.25	-57.57
C[NH+]1CCN(C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300001636936	1	55	0.0	-63.33	424.40	9.90	-53.43
O=C([O-])C(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=CC=CC=C1	REAL300001636937	0	54	0.0	-57.73	386.62	8.28	-49.45
CCC(C(=O)NCC(C(=O)[O-])C1=CC=CC=C1)[NH+](CC)CC	REAL300001636941	0	48	0.0	-50.22	354.48	8.28	-41.94
CC(C(=O)NCC(C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001636943	0	49	0.0	-49.44	386.10	10.60	-38.84
CC(C(=O)NCC(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001636943	1	49	0.0	-52.64	385.89	10.62	-42.02
O=C([O-])C(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300001636954	0	56	0.0	-64.70	435.52	12.32	-52.38
O=C([O-])C(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300001636954	1	56	0.0	-63.22	435.53	12.32	-50.90
C[NH+](C)CC1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300001636980	0	45	0.0	-70.54	365.84	7.90	-62.64
CCC[NH+](CCC)CCCC(=O)NCC(C(=O)[O-])C1=CC=CC=C1	REAL300001636991	0	54	0.0	-62.51	414.44	10.48	-52.03
O=C([O-])C(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C1=CC=CC=C1	REAL300001636992	1	54	0.0	-47.49	419.80	8.20	-39.29
CC[N@H+](C)C(C(=O)NCC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300001636993	0	49	0.0	-47.22	385.04	10.36	-36.86
CC[N@@H+](C)C(C(=O)NCC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300001636993	1	49	0.0	-45.91	384.30	10.72	-35.19
CC[NH+](CC)C(C(=O)NCC(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300001636998	0	52	0.0	-52.80	390.60	10.61	-42.19
CC(C)C1=[NH+]C=CN1CC(=O)NCC(C(=O)[O-])C1=CC=CC=C1	REAL300001637005	1	44	0.0	-51.81	357.54	8.99	-42.82
C[NH+](C)C(C(=O)NCC(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300001637009	1	46	0.0	-51.49	383.34	10.27	-41.22
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=CC=CC=C1	REAL300001637023	0	50	0.0	-71.75	393.96	11.25	-60.50
O=C([O-])C(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=CC=CC=C1	REAL300001637030	0	53	0.0	-68.33	410.72	11.95	-56.38
CCN1CCC([NH+]2CCC(C(=O)NCC(C(=O)[O-])C3=CC=CC=C3)CC2)CC1	REAL300001637036	0	61	0.0	-61.68	442.81	8.97	-52.71
CC1C[NH+](CC2=CC=C(C(=O)NCC(C(=O)[O-])C3=CC=CC=C3)C=C2)CC(C)O1	REAL300001637043	1	57	0.0	-75.50	444.92	10.63	-64.87
O=C([O-])C(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1=CC=CC=C1	REAL300001637054	1	54	0.0	-70.03	419.44	10.75	-59.28
O=C([O-])C(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=CC=CC=C1	REAL300001637054	1	54	0.0	-70.04	419.51	10.75	-59.29
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300001637070	0	53	0.0	-50.26	409.67	11.76	-38.50
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC=C1	REAL300001637070	1	53	0.0	-49.66	401.09	11.25	-38.41
CC1=C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C=NN1C1=CC=[NH+]C=C1	REAL300001637072	1	44	0.0	-73.82	366.75	8.50	-65.32
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=CC=C1	REAL300001637080	0	53	0.0	-71.16	410.41	11.91	-59.25
O=C([O-])C(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=CC=CC=C1	REAL300001637093	1	46	0.0	-72.04	374.41	8.70	-63.34
C[NH+](C)CCC1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300001637094	0	49	0.0	-76.04	391.63	10.94	-65.10
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(C(=O)[O-])C1=CC=CC=C1	REAL300001637106	1	42	0.0	-51.01	341.19	7.33	-43.68
O=C([O-])C(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1=CC=CC=C1	REAL300001637107	1	51	0.0	-49.56	399.65	10.42	-39.14
O=C([O-])C(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=CC=CC=C1	REAL300001637107	1	51	0.0	-61.24	398.94	10.13	-51.11
CC(C(=O)NCC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001637119	0	59	0.0	-53.22	450.15	12.73	-40.49
CC(C(=O)NCC(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCSCC1	REAL300001637164	1	44	0.0	-53.88	347.26	8.10	-45.78
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CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC(C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300001637828	0	58	0.0	-73.54	438.05	10.11	-63.43
O=C([O-])C(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=CC=CC=C1	REAL300001637846	1	41	0.0	-73.02	352.00	7.98	-65.04
C[NH+](C)CC1=CC(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)=NO1	REAL300001637877	1	42	0.0	-76.27	351.01	7.29	-68.98
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(C(=O)[O-])C1=CC=CC=C1	REAL300001637881	0	53	0.0	-65.80	416.59	11.24	-54.56
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(C(=O)[O-])C1=CC=CC=C1	REAL300001637881	1	53	0.0	-62.55	414.68	11.58	-50.97
CC(C)[N@@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1=CC=CC=C1	REAL300001637900	0	46	0.0	-50.29	349.87	8.32	-41.97
CC(C)[N@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1=CC=CC=C1	REAL300001637900	1	46	0.0	-48.71	348.83	8.55	-40.16
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300001637907	0	54	0.0	-72.24	432.37	10.92	-61.32
C[NH+]1CCC(OCC(=O)NCC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300001637926	0	47	0.0	-67.49	369.84	8.54	-58.95
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=CC=CC=C1	REAL300001637932	0	50	0.0	-67.97	398.84	10.23	-57.74
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)[C@@H](C(F)(F)F)C1	REAL300001637975	0	52	0.0	-54.10	405.90	9.46	-44.64
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)[C@@H](C(F)(F)F)C1	REAL300001637975	1	52	0.0	-56.92	404.11	9.88	-47.04
CCC[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300001638128	0	49	0.0	-58.75	375.65	9.29	-49.46
CCC[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300001638128	1	49	0.0	-58.49	376.44	9.57	-48.92
CC(C)C[N@@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1=CC=CC=C1	REAL300001638161	0	49	0.0	-49.53	374.83	9.60	-39.93
CC(C)C[N@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1=CC=CC=C1	REAL300001638161	1	49	0.0	-52.18	364.91	9.87	-42.31
O=C([O-])C(CNC(=O)C[NH+]1CCC(CO)CC1)C1=CC=CC=C1	REAL300001638162	0	47	0.0	-54.45	365.68	5.44	-49.01
O=C([O-])C(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1=CC=CC=C1	REAL300001638264	0	54	0.0	-52.20	419.90	12.09	-40.11
O=C([O-])C(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1=CC=CC=C1	REAL300001638264	1	54	0.0	-55.62	421.47	11.77	-43.85
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C1=CC=CC=C1	REAL300001638305	1	53	0.0	-52.22	417.78	11.76	-40.46
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C1=CC=CC=C1	REAL300001638305	1	53	0.0	-49.04	406.60	11.67	-37.37
CC(C)[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300001638403	0	49	0.0	-58.27	370.79	9.06	-49.21
CC(C)[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300001638403	1	49	0.0	-52.09	364.52	9.25	-42.84
C[N@@H+]1CC(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C(C(F)(F)F)C1	REAL300001638404	0	43	0.0	-51.83	354.60	8.42	-43.41
C[N@H+]1CC(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C(C(F)(F)F)C1	REAL300001638404	1	43	0.0	-65.69	350.06	8.05	-57.64
CC1=C(C)[NH+]=C(CCC(=O)NCC(C(=O)[O-])C2=CC=CC=C2)N1	REAL300001638429	1	44	0.0	-55.14	362.13	7.55	-47.59
C[NH+](C)CCC1=CC=CC(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300001638933	0	49	0.0	-73.00	392.53	10.59	-62.41
C[NH+](C)CCOC1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300001638941	0	50	0.0	-72.25	398.93	9.89	-62.36
O=C([O-])C(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300001639042	0	56	0.0	-64.86	431.60	12.20	-52.66
CC1C[N@H+](CC2=CC=C(C(=O)NCC(C(=O)[O-])C3=CC=CC=C3)C=C2)CCO1	REAL300001639044	1	54	0.0	-72.07	415.39	10.09	-61.98
CC1C[N@@H+](CC2=CC=C(C(=O)NCC(C(=O)[O-])C3=CC=CC=C3)C=C2)CCO1	REAL300001639044	1	54	0.0	-74.90	417.45	9.92	-64.98
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300001639091	0	49	0.0	-62.73	364.19	8.95	-53.78
CC(C)C[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300001639158	0	52	0.0	-54.42	386.79	10.16	-44.26
CC(C)C[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300001639158	1	52	0.0	-54.42	386.79	10.16	-44.26
CC[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300001639159	0	46	0.0	-54.01	347.88	8.74	-45.27
CC[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300001639159	1	46	0.0	-54.01	347.88	8.74	-45.27
CN(C)CC1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)O1	REAL300001639165	0	43	0.0	-69.07	355.39	7.97	-61.10
C[NH+](C)CC1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)O1	REAL300001639165	1	43	0.0	-69.07	355.39	7.97	-61.10
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300001639171	0	52	0.0	-68.31	382.69	9.68	-58.63
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300001639171	1	52	0.0	-68.31	382.69	9.68	-58.63
O=C([O-])C(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=CC=C1	REAL300001639174	0	45	0.0	-49.43	349.63	9.57	-39.86
CC1=CC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300001640503	0	50	0.0	-88.33	386.32	11.24	-77.09
CC1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001641276	0	47	0.0	-77.48	370.51	10.74	-66.74
CC1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001641276	1	47	0.0	-77.73	366.74	10.24	-67.49
CC1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C1C(=O)[O-]	REAL300001642184	0	44	0.0	-84.16	334.60	8.88	-75.28
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C)C(C(=O)[O-])=C3)CN21	REAL300001642209	1	42	0.0	-74.27	332.77	8.75	-65.52
CC1=CC=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001642210	0	50	0.0	-74.27	393.29	11.29	-62.98
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=C(C)C(C(=O)[O-])=C3)CC2)=CS1	REAL300001642282	1	49	0.0	-87.55	393.34	8.95	-78.60
CC1=CC=C(NC(=O)C(C)N2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300001642283	1	45	0.0	-72.41	338.43	5.88	-66.53
CC1=CC=C(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300001642366	0	53	0.0	-90.43	422.54	10.89	-79.54
CC1=CC=C(NC(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300001642380	0	53	0.0	-86.92	420.09	13.09	-73.83
CC1=CC=C(NC(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C=C1C(=O)[O-]	REAL300001642380	1	53	0.0	-85.44	419.99	13.10	-72.34
CC1=CC=C(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300001642381	0	53	0.0	-81.08	398.69	11.65	-69.43
CC1=CC=C(NC(=O)C2(C[NH+](C)C)CCCCC2)C=C1C(=O)[O-]	REAL300001642465	0	49	0.0	-65.06	353.42	9.24	-55.82
CC1=CC=C(NC(=O)CC[N@@H+](C)C2CCCCC2)C=C1C(=O)[O-]	REAL300001642468	0	49	0.0	-81.44	363.32	9.60	-71.84
CC1=CC=C(NC(=O)CC[N@H+](C)C2CCCCC2)C=C1C(=O)[O-]	REAL300001642468	1	49	0.0	-80.65	363.89	9.61	-71.04
CC1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300001642493	1	50	0.0	-78.18	390.31	11.24	-66.94
CC1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300001642493	1	50	0.0	-77.79	381.01	11.07	-66.72
CC1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300001642494	1	47	0.0	-79.18	369.49	10.20	-68.98
CC1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300001642494	1	47	0.0	-80.75	372.90	10.29	-70.46
CC1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C1C(=O)[O-]	REAL300001642555	0	43	0.0	-93.14	354.39	8.67	-84.47
CC1=CC=C(NC(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)C=C1C(=O)[O-]	REAL300001642560	0	53	0.0	-89.86	418.47	10.79	-79.07
CC1=CC=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300001642585	0	50	0.0	-72.21	363.42	9.82	-62.39
CC1=CC=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300001642585	1	50	0.0	-64.14	362.99	9.85	-54.29
CC1=CC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C1C(=O)[O-]	REAL300001642586	0	51	0.0	-77.92	370.45	8.14	-69.78
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300001642616	1	41	0.0	-78.37	335.88	8.93	-69.44
CC1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300001642617	1	47	0.0	-85.35	363.18	7.61	-77.74
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C=C1)C(C)C	REAL300001642619	0	52	0.0	-90.05	391.23	11.12	-78.93
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C=C1)C(C)C	REAL300001642619	1	52	0.0	-89.90	382.74	10.70	-79.20
CC1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001642644	0	47	0.0	-79.67	368.03	10.40	-69.27
CC1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001642644	1	47	0.0	-82.92	373.61	10.60	-72.32
CC1=CC=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C=C1C(=O)[O-]	REAL300001642645	0	48	0.0	-90.53	364.97	9.65	-80.88
CC1=CC=C(NC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300001642673	1	52	0.0	-77.45	398.36	9.32	-68.13
CC1=CC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C1C(=O)[O-]	REAL300001642674	0	51	0.0	-83.43	358.40	7.69	-75.74
CC1=CC=C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001642677	0	46	0.0	-78.40	360.31	10.01	-68.39
CC1=CC=C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001642677	1	46	0.0	-77.34	359.23	10.06	-67.28
CC1=CC=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001642688	0	53	0.0	-85.49	412.27	12.15	-73.34
CC1=CC=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001642688	1	53	0.0	-75.03	406.47	12.34	-62.69
CC1=CC=C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C=C1C(=O)[O-]	REAL300001642718	0	42	0.0	-89.05	339.17	7.65	-81.40
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300001642729	0	51	0.0	-80.70	383.10	9.93	-70.77
CC1=CC=C(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C=C1C(=O)[O-]	REAL300001642730	1	51	0.0	-77.39	392.96	7.97	-69.42
CC[N@H+](C)C(C(=O)NC1=CC=C(C)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300001642731	1	46	0.0	-75.72	360.99	10.23	-65.49
CC[N@@H+](C)C(C(=O)NC1=CC=C(C)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300001642731	1	46	0.0	-77.12	353.49	9.95	-67.17
CC[NH+](CC)C(C(=O)NC1=CC=C(C)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300001642736	0	49	0.0	-77.77	364.52	10.37	-67.40
CC1=CC=C(NC(=O)CN2C=C[NH+]=C2C(C)C)C=C1C(=O)[O-]	REAL300001642742	1	41	0.0	-72.13	330.59	8.75	-63.38
CC1=CC=C(NC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C=C1C(=O)[O-]	REAL300001642744	1	43	0.0	-77.94	356.36	10.03	-67.91
CC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300001642758	0	47	0.0	-92.63	367.88	10.66	-81.97
CC1=CC=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=C1C(=O)[O-]	REAL300001642765	0	50	0.0	-83.92	388.26	11.44	-72.48
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=C(C)C(C(=O)[O-])=C3)CC2)CC1	REAL300001642772	0	58	0.0	-85.34	416.13	8.73	-76.61
CC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C=C1C(=O)[O-]	REAL300001642779	1	54	0.0	-98.29	421.57	10.48	-87.81
CC1=CC=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1C(=O)[O-]	REAL300001642789	1	51	0.0	-95.67	395.94	10.51	-85.16
CC1=CC=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1C(=O)[O-]	REAL300001642789	1	51	0.0	-92.95	393.09	10.44	-82.51
CC1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001642803	0	50	0.0	-76.05	373.96	10.99	-65.06
CC1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001642803	1	50	0.0	-74.48	374.59	11.00	-63.48
CC1=C(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C=NN1C1=CC=[NH+]C=C1	REAL300001642805	1	41	0.0	-87.64	341.09	7.93	-79.71
CC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1C(=O)[O-]	REAL300001642813	0	50	0.0	-93.60	384.61	11.37	-82.23
CC1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1C(=O)[O-]	REAL300001642825	1	43	0.0	-87.31	351.94	8.20	-79.11
CC1=CC=C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300001642826	0	46	0.0	-98.08	369.18	10.44	-87.64
CC1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1C(=O)[O-]	REAL300001642837	1	48	0.0	-98.10	382.93	10.03	-88.07
CC1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1C(=O)[O-]	REAL300001642837	1	48	0.0	-95.93	379.27	9.97	-85.96
CC1=CC=C(NC(=O)C2=CC=CC=C2OCC[N@H+]2CCCCC2C)C=C1C(=O)[O-]	REAL300001642844	0	57	0.0	-68.62	429.58	12.75	-55.87
CC1=CC=C(NC(=O)C2=CC=CC=C2OCC[N@@H+]2CCCCC2C)C=C1C(=O)[O-]	REAL300001642844	1	57	0.0	-68.71	425.45	12.78	-55.93
CC1=CC=C(NC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300001642851	0	56	0.0	-76.37	423.67	12.49	-63.88
CC1=CC=C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001642894	0	46	0.0	-78.62	364.60	10.46	-68.16
CC1=CC=C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001642894	1	46	0.0	-78.71	364.60	10.46	-68.25
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300001642895	0	50	0.0	-80.82	393.33	6.63	-74.19
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300001642895	1	50	0.0	-84.47	396.72	6.74	-77.73
CC1=CC=C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C=C1C(=O)[O-]	REAL300001642898	0	44	0.0	-69.18	325.97	6.09	-63.09
CC1=CC=C(NC(=O)CC2(O)CCC[N@H+](C)C2)C=C1C(=O)[O-]	REAL300001642898	1	44	0.0	-82.14	326.76	6.30	-75.84
CC1=CC=C(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300001642906	0	55	0.0	-85.85	419.20	10.16	-75.69
CC1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C=C1C(=O)[O-]	REAL300001642907	1	49	0.0	-80.13	369.37	9.26	-70.87
CC1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C=C1C(=O)[O-]	REAL300001642907	1	49	0.0	-77.66	369.30	9.26	-68.40
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300001642910	0	48	0.0	-77.76	368.63	9.79	-67.97
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300001642910	1	48	0.0	-77.01	369.19	9.77	-67.24
CC1=CC=C(NC(=O)C[N@@H+](C)C2CCSC2)C=C1C(=O)[O-]	REAL300001642937	1	41	0.0	-81.82	324.40	8.26	-73.56
CC1=CC=C(NC(=O)C[N@H+](C)C2CCSC2)C=C1C(=O)[O-]	REAL300001642937	1	41	0.0	-79.83	324.73	8.27	-71.56
CC1=CC=C(NC(=O)CCN2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300001642948	0	51	0.0	-82.25	380.82	7.20	-75.05
CC1=CC=C(NC(=O)CC[NH+]2CCN(C(C)C)CC2)C=C1C(=O)[O-]	REAL300001642948	1	51	0.0	-80.40	376.76	6.99	-73.41
CC1=CC=C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300001642949	0	54	0.0	-79.20	401.76	8.00	-71.20
CC1=CC=C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C=C1C(=O)[O-]	REAL300001642949	1	54	0.0	-80.87	398.64	7.79	-73.08
CC1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C=C1C(=O)[O-]	REAL300001642950	0	44	0.0	-73.62	321.46	8.56	-65.06
CC1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C=C1C(=O)[O-]	REAL300001642950	1	44	0.0	-70.78	333.70	8.94	-61.84
CC1=CC=C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C=C1C(=O)[O-]	REAL300001642952	0	43	0.0	-88.28	349.69	7.52	-80.76
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=CC=C(C)C(C(=O)[O-])=C3)CC2)=C1	REAL300001642958	0	55	0.0	-84.37	419.12	10.02	-74.35
CC1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300001642960	0	52	0.0	-84.41	397.71	9.35	-75.06
CC1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C=C1C(=O)[O-]	REAL300001642964	0	49	0.0	-83.52	379.32	9.75	-73.77
CC1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C=C1C(=O)[O-]	REAL300001642964	1	49	0.0	-81.32	375.48	9.64	-71.68
CC1=CC=C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300001642969	1	47	0.0	-75.72	361.16	10.51	-65.21
CC1=CC=C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C=C1C(=O)[O-]	REAL300001642969	1	47	0.0	-76.49	362.78	10.47	-66.02
CC1=CC=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001642996	0	50	0.0	-85.30	390.61	11.24	-74.06
CC1=CC=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001642996	1	50	0.0	-76.80	390.48	11.25	-65.55
CC1=CC=C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300001643009	0	43	0.0	-96.48	350.15	7.54	-88.94
CC1=CC=C(NC(=O)C2=CC=NN2CC[NH+](C)C)C=C1C(=O)[O-]	REAL300001643010	0	43	0.0	-64.57	340.67	7.88	-56.69
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300001643016	1	44	0.0	-74.30	350.86	9.23	-65.07
CC1=CC=C(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C=C1C(=O)[O-]	REAL300001643019	1	44	0.0	-88.21	350.72	7.09	-81.12
CC1=CC=C(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C=C1C(=O)[O-]	REAL300001643019	1	44	0.0	-88.46	351.69	7.09	-81.37
CC1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C=C1C(=O)[O-]	REAL300001643030	0	50	0.0	-84.13	390.81	11.58	-72.55
CC1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C=C1C(=O)[O-]	REAL300001643030	1	50	0.0	-74.01	386.97	11.47	-62.54
CC1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300001643031	1	46	0.0	-70.71	365.80	9.08	-61.63
CC1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300001643031	1	46	0.0	-72.88	358.82	8.34	-64.54
CC1=CC=C(NC(=O)C(C)C[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300001643035	0	44	0.0	-80.53	336.01	6.73	-73.80
CC1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C=C1C(=O)[O-]	REAL300001643036	0	51	0.0	-84.77	395.46	8.77	-76.00
CC1=CC=C(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)C=C1C(=O)[O-]	REAL300001643084	1	50	0.0	-87.48	387.05	9.57	-77.91
CC1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C1C(=O)[O-]	REAL300001643085	0	50	0.0	-81.96	373.26	9.99	-71.97
CC1=CC=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C=C1C(=O)[O-]	REAL300001643085	1	50	0.0	-77.07	370.44	9.94	-67.13
CC1=CC=C(NC(=O)C23CCC[NH+](CCC2)C3)C=C1C(=O)[O-]	REAL300001643104	0	44	0.0	-79.73	322.66	8.22	-71.51
CC1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=C1C(=O)[O-]	REAL300001643108	0	44	0.0	-76.08	327.33	8.54	-67.54
CC1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C=C1C(=O)[O-]	REAL300001643108	1	44	0.0	-71.79	333.01	8.91	-62.88
CC1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C=C1C(=O)[O-]	REAL300001643110	0	55	0.0	-81.45	417.14	10.50	-70.95
CC1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C=C1C(=O)[O-]	REAL300001643110	1	55	0.0	-86.78	419.13	9.97	-76.81
CC1=CC=C(NC(=O)C(C)(C)C[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300001643117	0	47	0.0	-76.49	345.86	7.10	-69.39
CC1=CC=C(NC(=O)C2CC[N@@H+](C(C)C)CC2C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300001643122	0	56	0.0	-80.28	408.29	9.24	-71.04
CC1=CC=C(NC(=O)C2CC[N@H+](C(C)C)CC2C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300001643122	1	56	0.0	-91.94	417.93	9.87	-82.07
CC1=CC=C(NC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300001643123	0	50	0.0	-91.34	381.06	8.39	-82.95
CC1=CC=C(NC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C=C1C(=O)[O-]	REAL300001643123	1	50	0.0	-90.04	388.72	8.83	-81.21
CC1=CC=C(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C=C1C(=O)[O-]	REAL300001643128	0	52	0.0	-81.47	405.37	9.02	-72.45
CC1=CC=C(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C=C1C(=O)[O-]	REAL300001643129	0	52	0.0	-89.66	405.86	9.03	-80.63
CC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C=C1C(=O)[O-]	REAL300001643129	1	52	0.0	-96.58	404.77	8.90	-87.68
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300001643130	0	53	0.0	-92.89	408.02	10.64	-82.25
CC1=CC=C(NC(=O)C2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300001643137	0	46	0.0	-84.08	344.14	8.86	-75.22
CC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C=C1C(=O)[O-]	REAL300001643245	0	54	0.0	-95.34	416.30	8.67	-86.67
CC1=CC=C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C=C1C(=O)[O-]	REAL300001643249	0	43	0.0	-84.23	343.38	9.51	-74.72
CC1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001643250	0	50	0.0	-77.06	384.37	11.52	-65.54
CC1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001643250	1	50	0.0	-76.09	383.92	11.47	-64.62
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)CC1	REAL300001643312	0	42	0.0	-86.32	334.49	8.82	-77.50
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300001643314	0	46	0.0	-73.63	346.15	9.04	-64.59
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(C)C(C(=O)[O-])=C1	REAL300001643314	1	46	0.0	-75.24	336.97	8.83	-66.41
CC1=CC=C(NC(=O)C2=CC=CC=C2C[NH+](C)C)C=C1C(=O)[O-]	REAL300001643316	0	43	0.0	-64.04	339.44	9.85	-54.19
CC[NH+]1CCN(CCC(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)CC1	REAL300001643318	0	48	0.0	-83.80	363.58	6.64	-77.16
CCN1CC[NH+](CCC(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)CC1	REAL300001643318	1	48	0.0	-80.46	363.52	6.67	-73.79
CC1=CC=C(NC(=O)C(C(C)C)[NH+]2CCCCC2)C=C1C(=O)[O-]	REAL300001643320	0	49	0.0	-77.85	359.96	9.96	-67.89
CC1=CC=C(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)C=C1C(=O)[O-]	REAL300001643321	1	43	0.0	-74.79	340.11	9.51	-65.28
CC1=CC=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001643325	0	48	0.0	-78.31	382.32	7.58	-70.73
CC1=CC=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300001643325	1	48	0.0	-76.19	378.77	7.42	-68.77
CC1=CC=C(NC(=O)CCN2C=C[NH+]=C2C(C)C)C=C1C(=O)[O-]	REAL300001643331	1	44	0.0	-75.72	353.94	9.26	-66.46
CC1=CC=C(NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C=C1C(=O)[O-]	REAL300001643332	0	46	0.0	-65.07	364.73	9.85	-55.22
CC1=CC=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300001643336	0	47	0.0	-80.47	341.64	9.13	-71.34
CC1=CC=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1C(=O)[O-]	REAL300001643336	1	47	0.0	-76.37	350.49	9.42	-66.95
CC1=CC=C(NC(=O)C(C)[NH+]2CCCCCC2)C=C1C(=O)[O-]	REAL300001643364	0	46	0.0	-74.13	338.46	8.56	-65.57
CC1=CC=C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C=C1C(=O)[O-]	REAL300001643395	1	48	0.0	-88.31	378.42	9.94	-78.37
CC1=CC=C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C=C1C(=O)[O-]	REAL300001643395	1	48	0.0	-88.53	378.70	9.91	-78.62
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)O1	REAL300001643449	0	46	0.0	-89.14	361.15	8.93	-80.21
CC1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C=C1C(=O)[O-]	REAL300001643450	0	46	0.0	-82.27	356.24	9.33	-72.94
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(C)C(C(=O)[O-])=C3)CC2)[NH+]=C1	REAL300001643451	1	49	0.0	-81.97	379.29	9.09	-72.88
CC1=CC=C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001643452	1	43	0.0	-80.61	342.13	9.61	-71.00
CC1=CC=C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300001643452	1	43	0.0	-80.68	342.18	9.61	-71.07
CC1=CC=C(NC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)C=C1C(=O)[O-]	REAL300001643455	0	55	0.0	-93.32	411.64	9.88	-83.44
CC1=CC=C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C=C1C(=O)[O-]	REAL300001643497	1	39	0.0	-85.77	324.59	7.06	-78.71
CC1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C=C1C(=O)[O-]	REAL300001643503	0	50	0.0	-82.66	386.51	10.90	-71.76
CC1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C=C1C(=O)[O-]	REAL300001643503	1	50	0.0	-83.15	385.85	11.09	-72.06
CC1=CC=C(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300001643522	0	51	0.0	-92.97	407.33	10.49	-82.48
CC1=CC=C(NC(=O)COC2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300001643538	0	44	0.0	-90.03	344.86	8.02	-82.01
CC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1C(=O)[O-]	REAL300001643542	0	47	0.0	-89.77	370.29	9.62	-80.15
CC1=CC=C(NC(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C=C1C(=O)[O-]	REAL300001643581	0	49	0.0	-80.29	379.77	9.21	-71.08
CC1=CC=C(NC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C=C1C(=O)[O-]	REAL300001643581	1	49	0.0	-73.00	378.45	9.26	-63.74
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C1	REAL300001643721	0	46	0.0	-80.15	353.26	9.15	-71.00
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)C1	REAL300001643721	1	46	0.0	-80.14	352.55	9.12	-71.02
CC1=CC=C(NC(=O)C2CCC[N@H+]2CC(C)C)C=C1C(=O)[O-]	REAL300001643752	0	46	0.0	-80.49	342.81	9.19	-71.30
CC1=CC=C(NC(=O)C2CCC[N@@H+]2CC(C)C)C=C1C(=O)[O-]	REAL300001643752	1	46	0.0	-75.23	352.73	9.20	-66.03
CC1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1C(=O)[O-]	REAL300001643755	1	44	0.0	-80.22	342.60	5.30	-74.92
CC1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C1C(=O)[O-]	REAL300001643847	0	51	0.0	-89.12	397.76	11.57	-77.55
CC1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C1C(=O)[O-]	REAL300001643847	1	51	0.0	-93.27	399.14	11.64	-81.63
CC1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C=C1C(=O)[O-]	REAL300001643884	1	50	0.0	-83.44	390.79	11.22	-72.22
CC1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C=C1C(=O)[O-]	REAL300001643884	1	50	0.0	-76.11	384.73	11.16	-64.95
CC1=CC=C(NC(=O)C2CCC[N@@H+](C(C)C)C2)C=C1C(=O)[O-]	REAL300001643969	0	46	0.0	-67.26	338.35	9.00	-58.26
CC1=CC=C(NC(=O)C2CCC[N@H+](C(C)C)C2)C=C1C(=O)[O-]	REAL300001643969	1	46	0.0	-71.66	341.51	9.08	-62.58
CC1=CC=C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C=C1C(=O)[O-]	REAL300001643970	0	40	0.0	-94.28	332.47	7.85	-86.43
CC1=CC=C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C=C1C(=O)[O-]	REAL300001643970	1	40	0.0	-83.74	326.01	7.78	-75.96
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C)C(C(=O)[O-])=C2)N1	REAL300001643996	1	41	0.0	-74.57	335.14	7.30	-67.27
CC1=CC=C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C=C1C(=O)[O-]	REAL300001644445	0	46	0.0	-85.79	365.87	10.34	-75.45
CC1=CC=C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300001644451	0	47	0.0	-94.09	372.86	9.28	-84.81
CC1=CC=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1C(=O)[O-]	REAL300001644540	0	53	0.0	-75.32	405.18	11.95	-63.37
CC1=CC=C(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C=C1C(=O)[O-]	REAL300001644542	1	51	0.0	-95.92	390.42	9.68	-86.24
CC1=CC=C(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C=C1C(=O)[O-]	REAL300001644542	1	51	0.0	-94.70	390.98	9.67	-85.03
CC1=CC=C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C=C1C(=O)[O-]	REAL300001644580	0	46	0.0	-77.77	337.56	8.71	-69.06
CC1=CC=C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)C=C1C(=O)[O-]	REAL300001644642	0	49	0.0	-73.87	360.99	10.00	-63.87
CC1=CC=C(NC(=O)C2CCC[N@H+](CC(C)C)C2)C=C1C(=O)[O-]	REAL300001644642	1	49	0.0	-73.87	360.99	10.00	-63.87
CC1=CC=C(NC(=O)C2=CC=C(CN(C)C)O2)C=C1C(=O)[O-]	REAL300001644647	0	40	0.0	-91.78	329.75	7.84	-83.94
CC1=CC=C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C=C1C(=O)[O-]	REAL300001644647	1	40	0.0	-91.78	329.75	7.84	-83.94
CC1=CC=C(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C=C1C(=O)[O-]	REAL300001644652	0	49	0.0	-83.07	355.52	9.13	-73.94
CC1=CC=C(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)C=C1C(=O)[O-]	REAL300001644652	1	49	0.0	-83.07	355.52	9.13	-73.94
CC1=CC=C(NC(=O)C23CC(C2)CN3C2CC2)C=C1C(=O)[O-]	REAL300001644655	0	42	0.0	-79.80	327.66	8.83	-70.97
CC1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1C(=O)[O-]	REAL300001644655	1	42	0.0	-82.83	321.76	9.00	-73.83
CC1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1C(=O)[O-]	REAL300001644655	1	42	0.0	-82.83	321.76	9.00	-73.83
O=C([O-])COC1=CC=C(CCNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300001645662	0	57	0.0	-85.40	448.84	11.89	-73.51
O=C([O-])COC1=CC=C(CCNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1	REAL300001646224	0	54	0.0	-77.42	433.04	11.37	-66.05
O=C([O-])COC1=CC=C(CCNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1	REAL300001646224	1	54	0.0	-75.96	425.66	10.78	-65.18
O=C([O-])COC1=CC=C(CCNC(=O)C2CC[NH+](C3CC3)CC2)C=C1	REAL300001647064	0	51	0.0	-80.11	397.21	9.52	-70.59
O=C([O-])COC1=CC=C(CCNC(=O)C2CCC[N@@H+]2C2CC2)C=C1	REAL300001647089	0	48	0.0	-72.41	383.62	9.16	-63.25
O=C([O-])COC1=CC=C(CCNC(=O)C2CCC[N@H+]2C2CC2)C=C1	REAL300001647089	1	48	0.0	-75.94	378.18	8.51	-67.43
CC1=[NH+]C=C2CCC(C(=O)NCCC3=CC=C(OCC(=O)[O-])C=C3)CN21	REAL300001647095	1	49	0.0	-72.70	396.11	9.42	-63.28
O=C([O-])COC1=CC=C(CCNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=C1	REAL300001647096	0	57	0.0	-75.25	452.07	11.85	-63.40
C[N@@H+]1CCCCC1C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647176	0	47	0.0	-75.24	360.41	8.07	-67.17
C[N@H+]1CCCCC1C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647176	1	47	0.0	-75.36	360.42	8.07	-67.29
CC(C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300001647177	1	52	0.0	-77.52	401.02	6.49	-71.03
C[N@@H+]1CCCC[C@H]1C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647217	0	47	0.0	-74.34	369.72	8.24	-66.10
C[N@H+]1CCCC[C@H]1C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647217	1	47	0.0	-75.32	360.42	8.08	-67.24
C[NH+]1CCC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300001647304	0	47	0.0	-82.62	372.35	8.32	-74.30
O=C([O-])COC1=CC=C(CCNC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1	REAL300001647334	0	42	0.0	-79.03	357.93	10.15	-68.88
C[NH+](C)CC1(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)CCCCC1	REAL300001647368	0	56	0.0	-81.18	412.15	10.31	-70.87
C[N@H+](CCC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)C1CCCCC1	REAL300001647373	0	56	0.0	-80.37	426.17	10.24	-70.13
C[N@@H+](CCC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)C1CCCCC1	REAL300001647373	1	56	0.0	-80.29	426.17	10.26	-70.03
C[N@@H+]1CCCC1C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647390	0	44	0.0	-76.93	347.77	7.21	-69.72
C[N@H+]1CCCC1C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647390	1	44	0.0	-77.10	347.79	7.21	-69.89
C[NH+]1CCC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300001647446	0	47	0.0	-82.62	372.35	8.32	-74.30
O=C([O-])COC1=CC=C(CCNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C1	REAL300001647450	0	50	0.0	-82.15	416.92	9.28	-72.87
O=C([O-])COC1=CC=C(CCNC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1	REAL300001647470	0	57	0.0	-72.24	424.64	10.42	-61.82
O=C([O-])COC1=CC=C(CCNC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1	REAL300001647470	1	57	0.0	-72.23	425.30	10.47	-61.76
O=C([O-])COC1=CC=C(CCNC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C1	REAL300001647471	0	58	0.0	-74.97	432.96	8.78	-66.19
CC1=[NH+]C=CN1CCCC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647507	1	48	0.0	-75.67	398.74	9.56	-66.11
O=C([O-])COC1=CC=C(CCNC(=O)CCCC[NH+]2CCOCC2)C=C1	REAL300001647508	1	54	0.0	-82.46	426.03	8.25	-74.21
CC[N@H+](CC1=CC=C(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C=C1)C(C)C	REAL300001647511	0	59	0.0	-82.96	450.90	11.58	-71.38
CC[N@@H+](CC1=CC=C(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C=C1)C(C)C	REAL300001647511	1	59	0.0	-83.12	445.22	11.32	-71.80
C[N@@H+]1CCC[C@@H]1C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647514	0	44	0.0	-77.06	347.76	7.21	-69.85
C[N@H+]1CCC[C@@H]1C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647514	1	44	0.0	-73.94	354.25	7.66	-66.28
C[NH+](C)C1(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300001647523	0	44	0.0	-82.60	350.40	7.93	-74.67
O=C([O-])COC1=CC=C(CCNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001647569	0	54	0.0	-80.19	432.33	11.16	-69.03
O=C([O-])COC1=CC=C(CCNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001647569	1	54	0.0	-81.00	431.32	11.07	-69.93
O=C([O-])COC1=CC=C(CCNC(=O)C2CC[NH+](C3CCSC3)CC2)C=C1	REAL300001647570	0	55	0.0	-87.12	427.54	10.29	-76.83
O=C([O-])COC1=CC=C(CCNC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C1	REAL300001647594	0	58	0.0	-79.52	424.50	8.50	-71.02
CCC(C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)[NH+](CC)CC	REAL300001647598	0	52	0.0	-71.76	390.36	8.68	-63.08
CC(C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001647600	0	53	0.0	-79.40	422.75	10.62	-68.78
CC(C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001647600	1	53	0.0	-79.35	422.72	10.62	-68.73
C[NH+](C)CC1=CC=C(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300001647633	0	49	0.0	-84.29	401.70	8.67	-75.62
CCC[NH+](CCC)CCCC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647639	0	58	0.0	-78.82	450.32	10.87	-67.95
CC[N@H+](C)C(C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001647640	0	53	0.0	-74.05	420.28	10.81	-63.24
CC[N@@H+](C)C(C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001647640	1	53	0.0	-76.51	415.29	10.65	-65.86
C[N@@H+]1CCOC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300001647642	1	45	0.0	-81.90	358.02	6.96	-74.94
C[N@H+]1CCOC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300001647642	1	45	0.0	-81.87	358.04	6.96	-74.91
CC[NH+](CC)C(C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001647644	0	56	0.0	-76.21	429.44	10.93	-65.28
CC(C)C1=[NH+]C=CN1CC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647653	1	48	0.0	-73.03	393.41	9.38	-63.65
C[NH+](C)C(C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=C(Cl)C=C1	REAL300001647658	1	50	0.0	-79.61	419.23	10.66	-68.95
O=C([O-])COC1=CC=C(CCNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1	REAL300001647671	0	54	0.0	-86.05	430.72	11.29	-74.76
O=C([O-])COC1=CC=C(CCNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=C1	REAL300001647678	0	57	0.0	-79.55	447.48	11.99	-67.56
C[NH+](C)CC1(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300001647682	0	47	0.0	-80.58	379.40	8.42	-72.16
C[NH+](C)CCCCC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647691	0	49	0.0	-80.49	393.13	8.80	-71.69
CC(C)C(C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)[NH+](C)C	REAL300001647700	0	49	0.0	-75.33	375.55	8.37	-66.96
O=C([O-])COC1=CC=C(CCNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=C1	REAL300001647713	0	57	0.0	-75.83	446.44	11.80	-64.03
O=C([O-])COC1=CC=C(CCNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=C1	REAL300001647713	1	57	0.0	-75.51	436.96	11.65	-63.86
CC1=C(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300001647715	1	48	0.0	-85.29	403.52	8.54	-76.75
O=C([O-])COC1=CC=C(CCNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1	REAL300001647723	0	57	0.0	-86.31	447.17	11.95	-74.36
O=C([O-])COC1=CC=C(CCNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1	REAL300001647736	1	50	0.0	-83.40	411.17	8.74	-74.66
C[NH+](C)CCC1=CC=C(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300001647737	0	53	0.0	-87.98	428.41	10.98	-77.00
CNC1=[NH+]C(C)=CC=C1C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647748	1	46	0.0	-71.81	377.06	7.73	-64.08
O=C([O-])COC1=CC=C(CCNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300001647750	1	55	0.0	-86.30	434.73	10.52	-75.78
O=C([O-])COC1=CC=C(CCNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300001647750	1	55	0.0	-90.74	441.94	10.68	-80.06
CCC[N@H+](C)CC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647759	0	46	0.0	-77.68	366.99	8.06	-69.62
CCC[N@@H+](C)CC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647759	1	46	0.0	-77.69	366.99	8.06	-69.63
C[N@H+](CC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)C1CCC1	REAL300001647781	0	47	0.0	-75.43	373.98	8.64	-66.79
C[N@@H+](CC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)C1CCC1	REAL300001647781	1	47	0.0	-75.75	373.89	8.63	-67.12
CC(C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)[NH+]1CCSCC1	REAL300001647805	1	48	0.0	-78.54	383.14	8.50	-70.04
C[N@H+](CC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)CC(C)(C)C	REAL300001647810	0	52	0.0	-77.71	395.60	9.06	-68.65
C[N@@H+](CC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)CC(C)(C)C	REAL300001647810	1	52	0.0	-77.48	397.54	9.21	-68.27
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647812	0	53	0.0	-81.51	426.90	11.09	-70.42
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647812	1	53	0.0	-81.47	426.90	11.09	-70.38
COCCOCC[N@H+](C)CCC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647813	0	57	0.0	-80.02	455.93	7.27	-72.75
COCCOCC[N@@H+](C)CCC(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001647813	1	57	0.0	-80.88	455.94	7.28	-73.60
CC[C@@H](C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1)[NH+](C)C	REAL300001647817	0	46	0.0	-74.83	358.17	7.66	-67.17
C[N@@H+]1CCCC(O)(CC(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300001647819	0	51	0.0	-73.34	388.36	6.81	-66.53
C[N@H+]1CCCC(O)(CC(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300001647819	1	51	0.0	-72.85	398.06	7.01	-65.84
O=C([O-])COC1=CC=C(CCNC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C=C1	REAL300001647840	1	56	0.0	-80.61	441.41	10.05	-70.56
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CC(C)C[N@H+]1CCCC1C(=O)NCCC1=CC=C(OCC(=O)[O-])C=C1	REAL300001648764	1	53	0.0	-76.21	401.72	9.92	-66.29
O=C([O-])COC1=CC=C(CCNC(=O)C[NH+]2CCC(CO)CC2)C=C1	REAL300001648765	0	51	0.0	-79.19	401.56	5.84	-73.35
CC(C)[N@@H+]1CCCC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300001648990	0	53	0.0	-70.26	400.41	9.65	-60.61
CC(C)[N@H+]1CCCC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300001648990	1	53	0.0	-70.30	400.39	9.65	-60.65
C[N@@H+]1CC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300001648991	0	47	0.0	-84.64	391.12	8.48	-76.16
C[N@H+]1CC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300001648991	1	47	0.0	-85.15	385.18	8.17	-76.98
CC1=C(C)[NH+]=C(CCC(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)N1	REAL300001649017	1	48	0.0	-73.37	398.00	7.94	-65.43
C[NH+](C)CCC1=CC=CC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300001649501	0	53	0.0	-81.54	428.41	10.98	-70.56
C[NH+](C)CCOC1=CC=C(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300001649508	0	54	0.0	-86.26	435.71	9.92	-76.34
C[NH+](C)[C@H]1C[C@H](C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300001649644	0	47	0.0	-78.73	377.31	8.38	-70.35
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300001649648	0	53	0.0	-74.25	400.05	9.36	-64.89
CC1=[NH+]C=C2C=CC(C(=O)NCCC3=CC=C(OCC(=O)[O-])C=C3)=CN21	REAL300001649652	0	45	0.0	-75.56	379.35	9.93	-65.63
CC(C)C[N@@H+]1CCCC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300001649713	0	56	0.0	-76.72	428.97	10.37	-66.35
CC(C)C[N@H+]1CCCC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300001649713	1	56	0.0	-71.55	422.63	10.57	-60.98
CC[N@@H+]1CCCC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300001649714	0	50	0.0	-76.73	390.01	8.93	-67.80
CC[N@H+]1CCCC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300001649714	1	50	0.0	-76.76	389.99	8.93	-67.83
C[N@@H+]1CCCC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300001649719	0	47	0.0	-78.43	372.36	8.28	-70.15
C[N@H+]1CCCC(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300001649719	1	47	0.0	-78.44	372.33	8.27	-70.17
C[NH+](C)CC1=CC=C(C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300001649721	1	47	0.0	-85.61	391.25	8.37	-77.24
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300001649727	0	56	0.0	-79.71	417.74	9.77	-69.94
C[N@H+]1CCCC(C(C)(C)C(=O)NCCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300001649727	1	56	0.0	-79.76	417.77	9.79	-69.97
O=C([O-])COC1=CC=C(CCNC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300001649730	1	49	0.0	-79.02	385.80	9.97	-69.05
CS(=O)(=O)C1=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=CC(C(=O)[O-])=C1	REAL300001651423	0	47	0.0	-90.02	379.22	5.87	-84.15
CS(=O)(=O)C1=CC(NC(=O)C2CCC[N@@H+]2C2CC2)=CC(C(=O)[O-])=C1	REAL300001651447	1	44	0.0	-78.25	365.73	5.48	-72.77
CS(=O)(=O)C1=CC(NC(=O)C2CCC[N@H+]2C2CC2)=CC(C(=O)[O-])=C1	REAL300001651447	1	44	0.0	-76.57	360.62	4.90	-71.67
CC1=[NH+]C=C2CCC(C(=O)NC3=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C3)CN21	REAL300001651453	1	45	0.0	-80.08	377.60	5.76	-74.32
C[NH+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001651518	1	36	0.0	-84.16	310.04	3.01	-81.15
C[N@@H+]1CCCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001651519	1	43	0.0	-80.60	351.73	4.63	-75.97
C[N@H+]1CCCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001651519	1	43	0.0	-80.89	351.97	4.60	-76.29
CC(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)N1CC[NH+](C)CC1	REAL300001651520	1	48	0.0	-84.63	383.00	2.85	-81.78
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001651555	1	43	0.0	-81.11	351.66	4.61	-76.50
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001651555	1	43	0.0	-80.74	342.46	4.42	-76.32
C[NH+]1CCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300001651613	0	43	0.0	-93.09	354.38	4.66	-88.43
CS(=O)(=O)C1=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=CC(C(=O)[O-])=C1	REAL300001651643	0	38	0.0	-86.44	339.93	6.53	-79.91
C[NH+](C)CC1(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CCCCC1	REAL300001651672	0	52	0.0	-83.13	397.72	6.43	-76.70
C[N@H+](CCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CCCCC1	REAL300001651677	0	52	0.0	-88.36	408.19	6.62	-81.74
C[N@@H+](CCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CCCCC1	REAL300001651677	1	52	0.0	-87.94	408.18	6.63	-81.31
C[N@@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001651691	1	40	0.0	-79.61	335.48	3.96	-75.65
C[N@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001651691	1	40	0.0	-80.46	336.12	4.07	-76.39
C[NH+]1CCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300001651741	0	43	0.0	-93.09	354.38	4.66	-88.43
CS(=O)(=O)C1=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=CC(C(=O)[O-])=C1	REAL300001651753	0	53	0.0	-78.46	406.59	6.76	-71.70
CS(=O)(=O)C1=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=CC(C(=O)[O-])=C1	REAL300001651753	1	53	0.0	-80.26	402.71	6.94	-73.32
CC1=[NH+]C=CN1CCCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001651783	1	44	0.0	-83.68	381.02	5.92	-77.76
CS(=O)(=O)C1=CC(NC(=O)CCCC[NH+]2CCOCC2)=CC(C(=O)[O-])=C1	REAL300001651784	1	50	0.0	-91.29	408.03	4.61	-86.68
C[C@@H](C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+](C)C	REAL300001651790	1	39	0.0	-83.17	328.01	3.45	-79.72
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001651791	1	40	0.0	-84.84	330.08	3.55	-81.29
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001651791	1	40	0.0	-79.98	335.35	4.06	-75.92
C[C@H](C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+](C)C	REAL300001651795	1	39	0.0	-82.95	327.86	3.42	-79.53
C[NH+](C)C1(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300001651803	1	40	0.0	-86.48	339.11	4.22	-82.26
CCC(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+](CC)CC	REAL300001651863	0	48	0.0	-75.98	374.30	5.42	-70.56
CC(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001651865	1	49	0.0	-86.25	404.55	7.01	-79.24
CC(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001651865	1	49	0.0	-85.84	404.38	7.04	-78.80
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=N1	REAL300001651884	0	45	0.0	-93.21	383.69	5.04	-88.17
CCC[NH+](CCC)CCCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001651888	0	54	0.0	-87.29	427.96	6.95	-80.34
CC[N@H+](C)C(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1=CC=CC=C1	REAL300001651889	1	49	0.0	-80.33	402.25	7.16	-73.17
CC[N@@H+](C)C(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1=CC=CC=C1	REAL300001651889	1	49	0.0	-81.39	402.96	7.10	-74.29
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001651901	1	44	0.0	-79.14	375.68	5.75	-73.39
C[NH+](C)CC1(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300001651915	0	43	0.0	-82.86	360.93	4.84	-78.02
C[NH+](C)CCCCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001651921	0	45	0.0	-89.70	375.13	5.17	-84.53
CC(C)C(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+](C)C	REAL300001651929	0	45	0.0	-81.99	353.72	4.55	-77.44
CS(=O)(=O)C1=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=CC(C(=O)[O-])=C1	REAL300001651943	1	46	0.0	-90.10	394.24	5.20	-84.90
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=C1	REAL300001651944	0	49	0.0	-101.20	410.68	7.34	-93.86
CCC[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001651959	0	42	0.0	-83.74	349.26	4.43	-79.31
CCC[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001651959	1	42	0.0	-84.04	348.98	4.44	-79.60
C[N@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CCC1	REAL300001651980	0	43	0.0	-81.01	356.13	4.99	-76.02
C[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CCC1	REAL300001651980	1	43	0.0	-81.79	355.99	5.02	-76.77
C[N@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)CC(C)(C)C	REAL300001652000	0	48	0.0	-83.19	378.72	5.43	-77.76
C[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)CC(C)(C)C	REAL300001652000	1	48	0.0	-83.89	380.15	5.59	-78.30
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652002	1	49	0.0	-86.97	408.89	7.46	-79.51
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652002	1	49	0.0	-87.03	408.91	7.46	-79.57
CC[C@@H](C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+](C)C	REAL300001652005	0	42	0.0	-78.28	340.59	4.04	-74.24
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300001652007	0	47	0.0	-77.38	370.44	3.10	-74.28
C[N@H+]1CCCC(O)(CC(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300001652007	1	47	0.0	-86.36	367.77	3.20	-83.16
CCCCCC[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652027	0	51	0.0	-84.86	413.75	6.77	-78.09
CCCCCC[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652027	1	51	0.0	-85.21	413.48	6.78	-78.43
CS(=O)(=O)C1=CC(NC(=O)C23CCC[NH+]2CCC3)=CC(C(=O)[O-])=C1	REAL300001652038	0	44	0.0	-86.34	354.29	4.95	-81.39
CS(=O)(=O)C1=CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=CC(C(=O)[O-])=C1	REAL300001652046	1	38	0.0	-93.55	340.20	6.54	-87.01
C[N@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CCSC1	REAL300001652056	1	44	0.0	-89.10	369.53	5.24	-83.86
C[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CCSC1	REAL300001652056	1	44	0.0	-87.92	369.04	5.28	-82.64
CC(C)[NH+]1CCN(CCC(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300001652071	0	54	0.0	-88.27	425.38	4.19	-84.08
CS(=O)(=O)C1=CC(NC(=O)C2CCCC3CCC[N@@H+]32)=CC(C(=O)[O-])=C1	REAL300001652072	0	47	0.0	-82.17	366.29	5.57	-76.60
CS(=O)(=O)C1=CC(NC(=O)C2CCCC3CCC[N@H+]32)=CC(C(=O)[O-])=C1	REAL300001652072	1	47	0.0	-79.82	366.11	5.56	-74.26
C[NH+](C)CCN1C=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=N1	REAL300001652073	0	46	0.0	-93.73	394.08	4.53	-89.20
CCCC(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+](C)C	REAL300001652098	0	45	0.0	-80.93	361.77	4.82	-76.11
C[NH+](C)CCN1C=CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=N1	REAL300001652112	0	46	0.0	-103.34	394.72	4.54	-98.80
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652113	0	46	0.0	-69.06	389.80	4.49	-64.57
C[C@@H]1[C@H](C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC[N@@H+]1C	REAL300001652116	0	43	0.0	-87.46	347.77	4.19	-83.27
C[C@@H]1[C@H](C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC[N@H+]1C	REAL300001652116	1	43	0.0	-90.67	352.38	4.30	-86.37
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652118	1	47	0.0	-80.62	395.99	6.22	-74.40
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC[N@@H+]1C	REAL300001652121	0	46	0.0	-88.13	366.34	4.67	-83.46
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC[N@H+]1C	REAL300001652121	1	46	0.0	-88.68	372.36	4.96	-83.72
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=NN1	REAL300001652123	1	47	0.0	-94.43	395.54	4.08	-90.35
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=NN1	REAL300001652123	1	47	0.0	-93.42	396.25	4.08	-89.34
CC1C[N@H+](C)CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)O1	REAL300001652130	1	44	0.0	-99.97	368.93	4.11	-95.86
CC1C[N@@H+](C)CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)O1	REAL300001652130	1	44	0.0	-101.64	360.79	3.68	-97.96
CS(=O)(=O)C1=CC(NC(=O)C[NH+]2CCCC2)=CC(C(=O)[O-])=C1	REAL300001652136	1	40	0.0	-83.53	335.24	4.16	-79.37
CC1=[NH+]C=CN1CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652138	1	38	0.0	-80.28	339.46	4.63	-75.65
CC(C[NH+]1CCOCC1)C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652140	1	47	0.0	-86.87	381.30	3.74	-83.13
CC1CC[NH+](CC(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300001652159	1	46	0.0	-84.86	372.94	5.50	-79.36
CS(=O)(=O)C1=CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=CC(C(=O)[O-])=C1	REAL300001652201	0	53	0.0	-85.86	416.02	6.95	-78.91
CS(=O)(=O)C1=CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)=CC(C(=O)[O-])=C1	REAL300001652201	1	53	0.0	-83.69	415.65	6.92	-76.77
C[N@@H+]1CCCC1CCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652206	0	46	0.0	-91.47	373.62	5.36	-86.11
C[N@H+]1CCCC1CCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652206	1	46	0.0	-85.13	371.42	5.03	-80.10
CS(=O)(=O)C1=CC(NC(=O)C23CCC[NH+](CCC2)C3)=CC(C(=O)[O-])=C1	REAL300001652216	0	47	0.0	-85.49	367.51	5.20	-80.29
CS(=O)(=O)C1=CC(NC(=O)C2CCC3CCCC[N@@H+]32)=CC(C(=O)[O-])=C1	REAL300001652219	0	47	0.0	-78.24	377.92	5.96	-72.28
CS(=O)(=O)C1=CC(NC(=O)C2CCC3CCCC[N@H+]32)=CC(C(=O)[O-])=C1	REAL300001652219	1	47	0.0	-79.15	377.58	5.95	-73.20
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652226	0	50	0.0	-79.85	389.86	4.10	-75.75
CC[NH+](CC)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652241	0	42	0.0	-81.86	345.47	4.36	-77.50
CC(C)[NH+]1CCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300001652243	0	49	0.0	-90.34	388.70	5.85	-84.49
CS(=O)(=O)C1=CC(NC(=O)C23CC[NH+](CC2)C3)=CC(C(=O)[O-])=C1	REAL300001652320	0	41	0.0	-89.70	341.39	3.53	-86.17
CCC(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+](C)C	REAL300001652323	0	42	0.0	-80.65	340.80	4.02	-76.63
CS(=O)(=O)C1=CC(NC(=O)C23CC[N@H+](C2)CCC3)=CC(C(=O)[O-])=C1	REAL300001652331	0	44	0.0	-87.65	351.98	4.23	-83.42
CS(=O)(=O)C1=CC(NC(=O)C23CC[N@@H+](C2)CCC3)=CC(C(=O)[O-])=C1	REAL300001652331	1	44	0.0	-87.52	351.73	4.22	-83.30
CC1CCC(C)[NH+]1CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652371	0	46	0.0	-81.09	366.91	5.02	-76.07
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300001652372	0	46	0.0	-89.80	388.19	6.50	-83.30
C[NH+](C)C1(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CCC1	REAL300001652403	0	43	0.0	-89.03	342.31	4.16	-84.87
C#CC[NH+]1CCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300001652425	0	45	0.0	-92.78	379.05	5.81	-86.97
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652427	0	49	0.0	-80.51	390.64	6.03	-74.48
CCC[N@H+]1CCCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652427	1	49	0.0	-82.05	381.54	5.83	-76.22
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652428	0	46	0.0	-69.58	380.93	6.77	-62.81
CC[NH+]1CCN(CCC(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300001652430	0	51	0.0	-89.83	408.14	3.64	-86.19
CC(C)[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652431	0	42	0.0	-81.04	344.45	4.21	-76.83
CC(C)[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652431	1	42	0.0	-81.34	344.17	4.23	-77.11
CC(C)C(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+]1CCCCC1	REAL300001652432	0	52	0.0	-81.73	399.21	7.03	-74.70
C[NH+](C)C(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1=CC=CC=C1	REAL300001652433	1	46	0.0	-81.58	384.42	6.51	-75.07
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652439	1	47	0.0	-80.28	395.18	6.18	-74.10
CS(=O)(=O)C1=CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=CC(C(=O)[O-])=C1	REAL300001652445	0	50	0.0	-86.92	386.24	6.13	-80.79
CS(=O)(=O)C1=CC(NC(=O)C2CCC[N@H+]2C2CCCC2)=CC(C(=O)[O-])=C1	REAL300001652445	1	50	0.0	-80.03	393.38	6.41	-73.62
CC[N@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CC1	REAL300001652447	1	43	0.0	-79.87	358.63	5.04	-74.83
CC[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CC1	REAL300001652447	1	43	0.0	-80.07	354.79	4.79	-75.28
CC(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+]1CCCCCC1	REAL300001652463	0	49	0.0	-79.34	379.49	5.46	-73.88
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652466	1	40	0.0	-80.59	335.47	4.06	-76.53
C[N@H+]1CCC[C@H]1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652466	1	40	0.0	-85.25	330.04	3.55	-81.70
CC(C)(C)[NH2+]CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652525	0	42	0.0	-82.00	348.72	2.74	-79.26
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)O1	REAL300001652526	0	49	0.0	-93.94	409.43	6.19	-87.75
CS(=O)(=O)C1=CC(NC(=O)CCCC[NH+]2CCCC2)=CC(C(=O)[O-])=C1	REAL300001652527	0	49	0.0	-88.04	401.09	6.34	-81.70
C[N@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)CC1=CC=CC=C1	REAL300001652529	1	46	0.0	-88.77	386.69	6.60	-82.17
C[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)CC1=CC=CC=C1	REAL300001652529	1	46	0.0	-87.97	386.71	6.59	-81.38
CC(C)[C@@H](C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+](C)C	REAL300001652537	0	45	0.0	-83.66	358.41	5.16	-78.50
C[NH+](C)CC1=CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=NO1	REAL300001652570	1	42	0.0	-91.26	367.86	4.00	-87.26
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652582	0	46	0.0	-78.69	369.14	5.09	-73.60
CC(C)[N@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652582	1	46	0.0	-80.02	368.66	5.13	-74.89
C[NH+]1CCC(OCC(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300001652601	0	47	0.0	-94.46	389.72	5.02	-89.44
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300001652739	0	49	0.0	-76.76	387.30	6.21	-70.55
CCC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300001652739	1	49	0.0	-76.77	387.31	6.21	-70.56
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652761	0	49	0.0	-83.60	389.00	5.66	-77.94
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300001652761	1	49	0.0	-83.47	388.87	5.67	-77.80
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300001652940	0	49	0.0	-76.63	382.46	5.98	-70.65
CC(C)[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300001652940	1	49	0.0	-77.11	382.60	6.03	-71.08
C[N@@H+]1CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C(C(F)(F)F)C1	REAL300001652941	0	43	0.0	-96.41	367.06	4.49	-91.92
C[N@H+]1CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C(C(F)(F)F)C1	REAL300001652941	1	43	0.0	-87.27	365.00	4.82	-82.45
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)N1	REAL300001652964	1	44	0.0	-81.02	380.01	4.31	-76.71
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300001653334	0	49	0.0	-91.10	410.68	7.34	-83.76
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300001653450	0	43	0.0	-88.27	359.76	4.74	-83.53
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300001653454	0	49	0.0	-81.53	382.28	5.72	-75.81
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300001653506	0	52	0.0	-83.54	410.97	6.70	-76.84
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300001653506	1	52	0.0	-83.54	410.97	6.70	-76.84
CC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300001653507	0	46	0.0	-76.88	365.95	5.51	-71.37
CC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300001653507	1	46	0.0	-76.88	365.95	5.51	-71.37
C[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300001653512	0	43	0.0	-85.62	354.39	4.62	-81.00
C[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300001653512	1	43	0.0	-85.62	354.39	4.62	-81.00
CN(C)CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)O1	REAL300001653514	0	43	0.0	-96.88	373.52	4.73	-92.15
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)O1	REAL300001653514	1	43	0.0	-96.88	373.52	4.73	-92.15
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300001653520	0	52	0.0	-88.16	400.09	6.13	-82.03
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300001653520	1	52	0.0	-88.16	400.09	6.13	-82.03
CS(=O)(=O)C1=CC(NC(=O)C23CC(C2)CN3C2CC2)=CC(C(=O)[O-])=C1	REAL300001653523	0	45	0.0	-85.45	367.83	5.73	-79.72
CS(=O)(=O)C1=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=CC(C(=O)[O-])=C1	REAL300001653523	1	45	0.0	-88.56	366.80	6.15	-82.41
CS(=O)(=O)C1=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=CC(C(=O)[O-])=C1	REAL300001653523	1	45	0.0	-88.56	366.80	6.15	-82.41
O=C([O-])C1(F)CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300001654789	0	47	0.0	-80.04	360.85	9.89	-70.15
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300001655554	0	44	0.0	-65.46	346.27	9.48	-55.98
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300001655554	1	44	0.0	-64.27	344.15	9.43	-54.84
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300001656278	1	44	0.0	-68.95	363.00	10.01	-58.94
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300001656278	1	44	0.0	-64.86	358.46	9.56	-55.30
O=C([O-])C1(F)CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300001656351	0	47	0.0	-65.89	355.04	9.32	-56.57
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(F)(C(=O)[O-])C3)CC2)=CS1	REAL300001656412	1	46	0.0	-61.50	372.81	7.78	-53.72
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300001656468	0	50	0.0	-75.96	398.22	9.71	-66.25
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300001656481	0	50	0.0	-69.93	393.56	11.58	-58.35
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300001656481	1	50	0.0	-77.62	395.21	11.62	-66.00
CC1(C(=O)N2CCC(F)(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300001656482	0	50	0.0	-56.55	368.38	10.06	-46.49
O=C([O-])C1(F)CCN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001656522	0	47	0.0	-67.15	371.34	9.69	-57.46
O=C([O-])C1(F)CCN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001656522	1	47	0.0	-65.33	368.65	9.52	-55.81
C[NH+](C)CC1(C(=O)N2CCC(F)(C(=O)[O-])C2)CCCCC1	REAL300001656554	0	46	0.0	-72.63	317.20	8.14	-64.49
C[N@H+](CCC(=O)N1CCC(F)(C(=O)[O-])C1)C1CCCCC1	REAL300001656556	0	46	0.0	-71.87	342.54	8.57	-63.30
C[N@@H+](CCC(=O)N1CCC(F)(C(=O)[O-])C1)C1CCCCC1	REAL300001656556	1	46	0.0	-71.98	342.54	8.57	-63.41
O=C([O-])C1(F)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300001656580	1	47	0.0	-67.46	367.87	10.10	-57.36
O=C([O-])C1(F)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300001656580	1	47	0.0	-65.34	367.83	10.08	-55.26
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300001656581	1	44	0.0	-69.96	352.68	9.55	-60.41
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300001656581	1	44	0.0	-65.67	348.14	9.11	-56.56
O=C([O-])C1(F)CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300001656628	0	40	0.0	-77.17	330.13	7.17	-70.00
C[NH+](C)CCN1N=CC(C(=O)N2CCC(F)(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300001656633	0	50	0.0	-68.99	395.65	9.41	-59.58
O=C([O-])C1(F)CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300001656658	0	47	0.0	-60.04	339.51	8.67	-51.37
O=C([O-])C1(F)CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300001656658	1	47	0.0	-62.60	332.86	8.53	-54.07
O=C([O-])C1(F)CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300001656659	0	48	0.0	-59.32	345.75	6.87	-52.45
O=C([O-])C1(F)CCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300001656684	1	44	0.0	-75.87	342.42	6.57	-69.30
CC[N@H+](CC1=CC=C(C(=O)N2CCC(F)(C(=O)[O-])C2)C=C1)C(C)C	REAL300001656685	0	49	0.0	-76.77	363.33	9.48	-67.29
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(F)(C(=O)[O-])C2)C=C1)C(C)C	REAL300001656685	1	49	0.0	-76.77	357.85	9.18	-67.59
O=C([O-])C1(F)CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001656706	0	44	0.0	-71.41	346.31	9.33	-62.08
O=C([O-])C1(F)CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001656706	1	44	0.0	-71.26	345.98	9.29	-61.97
O=C([O-])C1(F)CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300001656707	0	45	0.0	-78.20	343.04	8.44	-69.76
C[NH+]1CCN(C(C(=O)N2CCC(F)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300001656728	1	49	0.0	-69.42	377.47	7.96	-61.46
O=C([O-])C1(F)CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300001656729	0	48	0.0	-70.55	341.95	6.86	-63.69
CC(C(=O)N1CCC(F)(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300001656732	0	43	0.0	-67.65	338.29	8.88	-58.77
CC(C(=O)N1CCC(F)(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001656732	1	43	0.0	-67.23	336.93	8.84	-58.39
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300001656741	0	50	0.0	-65.97	377.24	10.89	-55.08
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300001656741	1	50	0.0	-75.35	386.91	10.86	-64.49
CCC[NH+](CCC)CCCC(=O)N1CCC(F)(C(=O)[O-])C1	REAL300001656778	0	48	0.0	-71.93	366.70	9.17	-62.76
O=C([O-])C1(F)CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300001656779	1	48	0.0	-62.95	361.58	6.18	-56.77
CC[N@H+](C)C(C(=O)N1CCC(F)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001656780	0	43	0.0	-61.96	333.49	8.80	-53.16
CC[N@@H+](C)C(C(=O)N1CCC(F)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001656780	1	43	0.0	-63.31	330.13	8.98	-54.33
CC[NH+](CC)C(C(=O)N1CCC(F)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001656784	0	46	0.0	-64.17	340.07	9.30	-54.87
C[NH+](C)C(C(=O)N1CCC(F)(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001656787	1	40	0.0	-66.80	332.42	8.67	-58.13
O=C([O-])C1(F)CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300001656801	0	44	0.0	-65.87	341.69	9.13	-56.74
O=C([O-])C1(F)CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300001656808	0	47	0.0	-73.06	360.08	9.88	-63.18
CCN1CCC([NH+]2CCC(C(=O)N3CCC(F)(C(=O)[O-])C3)CC2)CC1	REAL300001656814	0	55	0.0	-75.99	393.52	7.48	-68.51
CC1C[NH+](CC2=CC=C(C(=O)N3CCC(F)(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300001656820	1	51	0.0	-83.10	393.65	8.89	-74.21
O=C([O-])C1(F)CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001656831	1	48	0.0	-79.31	379.44	9.58	-69.73
O=C([O-])C1(F)CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001656831	1	48	0.0	-78.46	367.99	9.01	-69.45
O=C([O-])C1(F)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300001656845	0	47	0.0	-62.18	362.32	10.08	-52.10
O=C([O-])C1(F)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300001656845	1	47	0.0	-63.36	361.51	10.01	-53.35
CC1=C(C(=O)N2CCC(F)(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300001656847	1	38	0.0	-71.99	314.38	6.48	-65.51
O=C([O-])C1(F)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300001656855	0	47	0.0	-80.57	360.28	9.87	-70.70
O=C([O-])C1(F)CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300001656866	1	40	0.0	-75.54	326.84	7.29	-68.25
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300001656867	0	43	0.0	-82.30	341.24	8.86	-73.44
O=C([O-])C1(F)CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001656874	1	45	0.0	-79.64	353.67	8.78	-70.86
O=C([O-])C1(F)CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001656874	1	45	0.0	-71.85	346.92	8.65	-63.20
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(F)(C(=O)[O-])C1	REAL300001656879	0	54	0.0	-61.32	403.06	11.32	-50.00
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(F)(C(=O)[O-])C1	REAL300001656879	1	54	0.0	-60.57	395.81	11.01	-49.56
CC(C(=O)N1CCC(F)(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001656887	0	53	0.0	-69.12	393.79	11.07	-58.05
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(F)(C(=O)[O-])C1	REAL300001656918	0	43	0.0	-70.94	343.29	9.37	-61.57
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(F)(C(=O)[O-])C1	REAL300001656918	1	43	0.0	-70.91	343.29	9.38	-61.53
COCCOCC[N@H+](C)CCC(=O)N1CCC(F)(C(=O)[O-])C1	REAL300001656919	0	47	0.0	-71.62	372.28	5.59	-66.03
COCCOCC[N@@H+](C)CCC(=O)N1CCC(F)(C(=O)[O-])C1	REAL300001656919	1	47	0.0	-73.01	372.30	5.60	-67.41
O=C([O-])C1(F)CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300001656928	0	52	0.0	-77.38	398.45	9.11	-68.27
O=C([O-])C1(F)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300001656929	1	46	0.0	-66.96	357.39	8.32	-58.64
O=C([O-])C1(F)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300001656929	1	46	0.0	-66.58	356.32	8.31	-58.27
O=C([O-])C1(F)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300001656930	1	46	0.0	-70.85	348.45	7.92	-62.93
O=C([O-])C1(F)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300001656930	1	46	0.0	-66.53	349.17	8.03	-58.50
CC(C)[NH+]1CCN(CCC(=O)N2CCC(F)(C(=O)[O-])C2)CC1	REAL300001656960	0	48	0.0	-70.87	359.50	6.16	-64.71
CC(C)N1CC[NH+](CCC(=O)N2CCC(F)(C(=O)[O-])C2)CC1	REAL300001656960	1	48	0.0	-71.49	355.99	5.94	-65.55
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(F)(C(=O)[O-])C2)CC1	REAL300001656961	0	51	0.0	-69.76	380.97	6.95	-62.81
CC(C)N1CC[NH+](CCCC(=O)N2CCC(F)(C(=O)[O-])C2)CC1	REAL300001656961	1	51	0.0	-72.93	377.50	6.74	-66.19
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(F)(C(=O)[O-])C3)CC2)=C1	REAL300001656966	0	52	0.0	-76.02	398.36	8.98	-67.04
O=C([O-])C1(F)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300001656968	0	49	0.0	-75.91	376.95	8.30	-67.61
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300001656972	0	46	0.0	-61.91	360.80	8.28	-53.63
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300001656972	1	46	0.0	-76.18	350.05	8.03	-68.15
CC(C(=O)N1CCC(F)(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001656976	1	44	0.0	-66.72	340.57	9.31	-57.41
CC(C(=O)N1CCC(F)(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001656976	1	44	0.0	-64.97	341.43	9.27	-55.70
O=C([O-])C1(F)CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001657003	0	47	0.0	-75.21	368.13	10.18	-65.03
O=C([O-])C1(F)CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001657003	1	47	0.0	-76.59	369.43	10.21	-66.38
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(F)(C(=O)[O-])C2)=NN1	REAL300001657018	1	41	0.0	-77.08	327.95	6.19	-70.89
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(F)(C(=O)[O-])C2)=NN1	REAL300001657018	1	41	0.0	-74.92	319.82	5.67	-69.25
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300001657028	0	47	0.0	-72.84	361.11	10.09	-62.75
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300001657028	1	47	0.0	-75.56	361.61	9.95	-65.61
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300001657029	1	43	0.0	-60.45	342.06	7.83	-52.62
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300001657029	1	43	0.0	-68.45	339.99	7.62	-60.83
O=C([O-])C1(F)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300001657031	0	48	0.0	-75.77	374.71	7.73	-68.04
O=C([O-])C1(F)CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300001657066	0	47	0.0	-70.66	346.26	8.69	-61.97
O=C([O-])C1(F)CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300001657066	1	47	0.0	-68.42	345.36	8.72	-59.70
O=C([O-])C1(F)CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300001657082	0	52	0.0	-71.17	394.33	8.97	-62.20
O=C([O-])C1(F)CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300001657082	1	52	0.0	-73.94	394.46	9.43	-64.51
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(F)(C(=O)[O-])C1	REAL300001657086	0	44	0.0	-58.12	315.29	5.60	-52.52
CC(C)[N@@H+]1CCC(C(=O)N2CCC(F)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300001657090	0	53	0.0	-78.02	405.61	8.89	-69.13
CC(C)[N@H+]1CCC(C(=O)N2CCC(F)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300001657090	1	53	0.0	-75.33	390.62	8.57	-66.76
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(F)(C(=O)[O-])C2)C=N1	REAL300001657091	0	47	0.0	-76.18	349.59	6.99	-69.19
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(F)(C(=O)[O-])C2)C=N1	REAL300001657091	1	47	0.0	-75.93	349.59	6.98	-68.95
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(F)(C(=O)[O-])C3)=C2)CC1	REAL300001657096	0	49	0.0	-75.41	377.12	7.45	-67.96
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(F)(C(=O)[O-])C3)C=C2)CC1	REAL300001657097	0	49	0.0	-67.11	375.64	7.42	-59.69
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(F)(C(=O)[O-])C3)C=C2)CC1	REAL300001657097	1	49	0.0	-81.57	376.81	7.31	-74.26
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300001657098	0	50	0.0	-63.48	378.00	8.82	-54.66
O=C([O-])C1(F)CCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300001657176	0	51	0.0	-83.20	391.98	7.17	-76.03
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001657178	0	47	0.0	-56.44	355.63	10.17	-46.27
O=C([O-])C1(F)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001657178	1	47	0.0	-73.33	355.24	9.88	-63.45
CC[NH+]1CCN(CCC(=O)N2CCC(F)(C(=O)[O-])C2)CC1	REAL300001657228	0	45	0.0	-72.47	342.22	5.60	-66.87
CCN1CC[NH+](CCC(=O)N2CCC(F)(C(=O)[O-])C2)CC1	REAL300001657228	1	45	0.0	-71.55	342.76	5.62	-65.93
CC(C)C(C(=O)N1CCC(F)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300001657231	0	46	0.0	-63.20	329.85	8.65	-54.55
O=C([O-])C1(F)CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001657236	0	45	0.0	-68.22	356.36	6.39	-61.83
O=C([O-])C1(F)CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001657236	1	45	0.0	-67.44	355.89	6.33	-61.11
C[NH+](C)CC1=C(C(=O)N2CCC(F)(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300001657240	0	43	0.0	-59.76	347.44	8.83	-50.93
CC[NH+](CC)C(C(=O)N1CCC(F)(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001657242	0	49	0.0	-65.01	381.79	10.07	-54.94
CC(C)C(C(=O)N1CCC(F)(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300001657266	1	50	0.0	-63.94	351.26	7.41	-56.53
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(F)(C(=O)[O-])C3)=CC=C1N2	REAL300001657289	1	45	0.0	-82.43	352.17	8.36	-74.07
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(F)(C(=O)[O-])C3)=CC=C1N2	REAL300001657289	1	45	0.0	-78.32	352.32	8.35	-69.97
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(F)(C(=O)[O-])C2)O1	REAL300001657340	0	43	0.0	-74.58	341.54	8.17	-66.41
CC1=CC=C(N2CCC(C(=O)N3CCC(F)(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300001657341	1	46	0.0	-71.59	353.82	7.74	-63.85
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(F)(C(=O)[O-])C3)C=C2)CC1	REAL300001657344	0	52	0.0	-64.81	385.05	8.33	-56.48
O=C([O-])C1(F)CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300001657353	1	35	0.0	-76.98	298.28	6.02	-70.96
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(F)(C(=O)[O-])C1	REAL300001657384	0	47	0.0	-77.48	366.59	9.87	-67.61
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(F)(C(=O)[O-])C1	REAL300001657384	1	47	0.0	-72.16	365.08	10.00	-62.16
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300001657400	0	48	0.0	-79.08	385.69	9.41	-69.67
O=C([O-])C1(F)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300001657417	0	44	0.0	-75.15	347.29	8.58	-66.57
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(F)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300001657444	0	46	0.0	-71.77	354.80	7.98	-63.79
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(F)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300001657444	1	46	0.0	-65.09	353.35	7.99	-57.10
O=C([O-])C1(F)CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300001657655	0	48	0.0	-77.71	368.47	10.16	-67.55
O=C([O-])C1(F)CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300001657655	1	48	0.0	-74.55	369.83	10.18	-64.37
O=C([O-])C1(F)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300001657684	1	47	0.0	-67.23	359.96	9.84	-57.39
O=C([O-])C1(F)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300001657684	1	47	0.0	-68.23	367.60	10.10	-58.13
C[N@@H+]1CC(C(=O)N2CCC(F)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300001657753	0	37	0.0	-74.56	304.14	6.52	-68.04
C[N@H+]1CC(C(=O)N2CCC(F)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300001657753	1	37	0.0	-72.24	297.74	6.27	-65.97
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300001658129	0	43	0.0	-68.68	339.53	8.81	-59.87
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300001658133	0	44	0.0	-65.56	346.67	7.76	-57.80
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CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300001662327	0	51	0.0	-91.91	378.36	8.59	-83.32
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CC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+]1CCOCC1	REAL300001662358	1	47	0.0	-87.32	365.11	7.92	-79.40
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2C)C=C1)C(C)C	REAL300001662360	0	52	0.0	-91.87	393.75	11.49	-80.38
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2C)C=C1)C(C)C	REAL300001662360	1	52	0.0	-91.61	385.29	11.05	-80.56
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001662385	0	47	0.0	-83.57	370.44	10.73	-72.84
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001662385	1	47	0.0	-82.45	371.55	10.78	-71.67
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001662386	0	48	0.0	-90.72	367.45	10.00	-80.72
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300001662414	1	52	0.0	-74.92	399.95	9.63	-65.29
CC1=CC=C(C(=O)[O-])C=C1NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300001662415	0	51	0.0	-85.90	363.99	8.28	-77.62
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300001662418	0	46	0.0	-81.18	362.04	10.35	-70.83
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300001662418	1	46	0.0	-80.18	359.66	10.45	-69.73
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001662429	0	53	0.0	-85.88	410.83	12.37	-73.51
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001662429	1	53	0.0	-85.06	410.29	12.38	-72.68
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300001662459	0	42	0.0	-90.43	340.81	8.35	-82.08
CCC[NH+](CCC)CCCC(=O)NC1=CC(C(=O)[O-])=CC=C1C	REAL300001662470	0	51	0.0	-83.36	385.94	10.31	-73.05
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300001662471	1	51	0.0	-79.78	395.19	8.30	-71.48
CC[N@H+](C)C(C(=O)NC1=CC(C(=O)[O-])=CC=C1C)C1=CC=CC=C1	REAL300001662472	1	46	0.0	-78.99	355.10	10.29	-68.70
CC[N@@H+](C)C(C(=O)NC1=CC(C(=O)[O-])=CC=C1C)C1=CC=CC=C1	REAL300001662472	1	46	0.0	-75.35	360.01	10.45	-64.90
CC[NH+](CC)C(C(=O)NC1=CC(C(=O)[O-])=CC=C1C)C1=CC=CC=C1	REAL300001662477	0	49	0.0	-80.06	365.96	10.56	-69.50
CC1=CC=C(C(=O)[O-])C=C1NC(=O)CN1C=C[NH+]=C1C(C)C	REAL300001662483	1	41	0.0	-74.47	333.50	9.11	-65.36
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300001662485	1	43	0.0	-75.94	358.34	10.32	-65.62
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CCN1CCC([NH+]2CCC(C(=O)NC3=CC(C(=O)[O-])=CC=C3C)CC2)CC1	REAL300001662513	0	58	0.0	-87.73	416.43	8.90	-78.83
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300001662520	1	54	0.0	-97.67	420.88	10.75	-86.92
CC1=CC=C(C(=O)[O-])C=C1NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001662530	1	51	0.0	-95.05	394.43	10.73	-84.32
CC1=CC=C(C(=O)[O-])C=C1NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001662530	1	51	0.0	-91.41	402.20	10.83	-80.58
CC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300001662544	0	50	0.0	-78.66	376.04	11.32	-67.34
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CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300001664894	0	51	0.0	-75.61	401.36	6.77	-68.84
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CC[N@H+](CC(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1)C1CC1	REAL300001664920	0	52	0.0	-74.33	411.72	7.41	-66.92
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CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1)[NH+](C)C	REAL300001664937	0	54	0.0	-73.29	404.25	7.06	-66.23
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CC(C(=O)NC1=CC=CC(C(=O)[O-])=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001668348	0	43	0.0	-80.43	343.79	9.48	-70.95
CC(C(=O)NC1=CC=CC(C(=O)[O-])=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001668348	1	43	0.0	-79.94	343.22	9.53	-70.41
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CC1C[N@H+](CC2=CC=C(C(=O)NCCCCCC(=O)[O-])C=C2)CCO1	REAL300001674604	1	53	0.0	-80.11	405.94	8.71	-71.40
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O=C([O-])C1=CSC(S(=O)(=O)N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)=C1	REAL300001675060	0	47	0.0	-73.46	382.60	4.67	-68.79
CCC(C(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1)[NH+](C)C	REAL300001675062	0	48	0.0	-72.15	388.47	5.42	-66.73
CC(C)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300001675074	0	48	0.0	-70.38	392.97	5.60	-64.78
CC(C)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300001675074	1	48	0.0	-69.95	392.99	5.62	-64.33
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300001675080	0	46	0.0	-68.95	379.97	5.22	-63.73
C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300001675080	1	46	0.0	-68.31	377.12	4.95	-63.36
CC(C)(C)[NH2+]CC(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300001675090	0	48	0.0	-71.70	397.52	4.14	-67.56
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)O1	REAL300001676445	0	53	0.0	-77.57	411.67	11.70	-65.87
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)O1	REAL300001677163	0	50	0.0	-71.28	397.27	11.22	-60.06
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)O1	REAL300001677163	1	50	0.0	-67.75	394.12	11.12	-56.63
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CC[NH+](C3CC3)CC2)O1	REAL300001678110	0	47	0.0	-75.46	363.25	9.47	-65.99
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@@H+]2C2CC2)O1	REAL300001678140	0	44	0.0	-66.72	347.35	8.69	-58.03
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@H+]2C2CC2)O1	REAL300001678140	1	44	0.0	-65.84	346.86	8.91	-56.93
CC1=[NH+]C=C2CCC(C(=O)N(C)CC3=CC(C(=O)[O-])=C(C)O3)CN12	REAL300001678146	1	45	0.0	-67.66	357.91	9.12	-58.54
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)O1	REAL300001678147	0	53	0.0	-67.42	411.28	11.42	-56.00
CC1=NC(C[NH+]2CCC(C(=O)N(C)CC3=CC(C(=O)[O-])=C(C)O3)CC2)=CS1	REAL300001678225	1	52	0.0	-78.47	417.47	9.33	-69.14
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C)N2CC[NH+](C)CC2)O1	REAL300001678226	1	48	0.0	-72.52	368.72	6.51	-66.01
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)O1	REAL300001678313	0	56	0.0	-79.63	448.41	11.44	-68.19
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)O1	REAL300001678326	0	56	0.0	-76.97	419.03	11.77	-65.20
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CN3C=[NH+]C=C3C=C2)O1	REAL300001678384	0	38	0.0	-73.41	321.16	9.79	-63.62
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2(C[NH+](C)C)CCCCC2)O1	REAL300001678417	0	52	0.0	-62.79	365.01	9.60	-53.19
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC[N@H+](C)C2CCCCC2)O1	REAL300001678422	0	52	0.0	-75.08	392.77	10.30	-64.78
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC[N@@H+](C)C2CCCCC2)O1	REAL300001678422	1	52	0.0	-75.95	392.77	10.29	-65.66
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)O1	REAL300001678443	1	53	0.0	-69.60	407.44	11.44	-58.16
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)O1	REAL300001678443	1	53	0.0	-75.99	411.85	11.57	-64.42
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)O1	REAL300001678444	1	50	0.0	-76.12	401.99	11.21	-64.91
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)O1	REAL300001678444	1	50	0.0	-74.64	398.72	10.88	-63.76
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)O1	REAL300001678501	0	46	0.0	-81.38	381.20	8.93	-72.45
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCCC[N@@H+]2C2CCCC2)O1	REAL300001678526	0	53	0.0	-66.70	382.95	10.25	-56.45
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCCC[N@H+]2C2CCCC2)O1	REAL300001678526	1	53	0.0	-67.57	384.48	10.31	-57.26
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC([NH+]3CCOCC3)CC2)O1	REAL300001678527	0	54	0.0	-81.44	402.92	8.73	-72.71
CC1=[NH+]C=CN1CCCC(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1	REAL300001678558	1	44	0.0	-71.51	365.32	9.59	-61.92
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCCC[NH+]2CCOCC2)O1	REAL300001678559	1	50	0.0	-77.70	392.62	8.29	-69.41
CC[N@H+](CC1=CC=C(C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)C=C1)C(C)C	REAL300001678561	0	55	0.0	-81.33	410.43	11.20	-70.13
CC[N@@H+](CC1=CC=C(C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)C=C1)C(C)C	REAL300001678561	1	55	0.0	-81.82	412.30	11.25	-70.57
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300001678586	0	50	0.0	-74.75	393.34	10.90	-63.85
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300001678586	1	50	0.0	-74.76	397.79	11.10	-63.66
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CC[NH+](C3CCSC3)CC2)O1	REAL300001678587	0	51	0.0	-79.20	394.38	10.34	-68.86
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)O1	REAL300001678615	1	55	0.0	-69.68	429.31	9.77	-59.91
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC2([NH+]3CCOCC3)CCCC2)O1	REAL300001678616	0	54	0.0	-74.95	387.27	8.37	-66.58
CCC(C(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1)[NH+](CC)CC	REAL300001678620	0	48	0.0	-66.00	355.49	8.82	-57.18
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)O1	REAL300001678622	0	49	0.0	-71.25	387.87	10.61	-60.64
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)O1	REAL300001678622	1	49	0.0	-68.22	387.31	10.63	-57.59
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)O1	REAL300001678633	0	56	0.0	-67.98	429.49	12.77	-55.21
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)O1	REAL300001678633	1	56	0.0	-70.73	426.88	12.64	-58.09
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C(C[NH+](C)C)N=C2)O1	REAL300001678659	0	45	0.0	-79.45	365.02	7.85	-71.60
CCC[NH+](CCC)CCCC(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1	REAL300001678669	0	54	0.0	-73.97	416.91	10.90	-63.07
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)O1	REAL300001678670	1	54	0.0	-72.33	417.92	8.35	-63.98
CC[N@H+](C)C(C(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1)C1=CC=CC=C1	REAL300001678671	0	49	0.0	-68.62	383.83	10.57	-58.05
CC[N@@H+](C)C(C(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1)C1=CC=CC=C1	REAL300001678671	1	49	0.0	-63.12	382.70	10.58	-52.54
CC[NH+](CC)C(C(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1)C1=CC=CC=C1	REAL300001678676	0	52	0.0	-71.36	388.80	10.91	-60.45
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CN2C=C[NH+]=C2C(C)C)O1	REAL300001678683	1	44	0.0	-66.49	360.08	9.40	-57.09
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)O1	REAL300001678687	1	46	0.0	-77.66	382.33	10.37	-67.29
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)O1	REAL300001678700	0	50	0.0	-81.81	395.24	10.95	-70.86
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)O1	REAL300001678707	0	53	0.0	-73.51	411.99	11.64	-61.87
CCN1CCC([NH+]2CCC(C(=O)N(C)CC3=CC(C(=O)[O-])=C(C)O3)CC2)CC1	REAL300001678713	0	61	0.0	-78.62	441.93	9.19	-69.43
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)O1	REAL300001678733	1	54	0.0	-83.97	421.63	11.15	-72.82
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)O1	REAL300001678733	1	54	0.0	-82.39	430.24	11.29	-71.10
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)O1	REAL300001678748	0	53	0.0	-68.91	412.17	11.81	-57.10
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)O1	REAL300001678748	1	53	0.0	-64.43	413.11	11.87	-52.56
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)O1	REAL300001678750	1	44	0.0	-81.77	366.05	8.18	-73.59
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)O1	REAL300001678758	0	53	0.0	-81.99	411.67	11.61	-70.38
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=NOC(C[NH+]3CCCC3)=C2)O1	REAL300001678771	1	46	0.0	-80.12	375.02	9.09	-71.03
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C(CC[NH+](C)C)C=C2)O1	REAL300001678772	0	49	0.0	-84.60	392.92	10.64	-73.96
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1	REAL300001678784	1	42	0.0	-65.25	345.10	7.26	-57.99
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)O1	REAL300001678785	1	51	0.0	-84.52	403.27	10.49	-74.03
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)O1	REAL300001678785	1	51	0.0	-90.69	403.33	10.48	-80.21
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)O1	REAL300001678797	0	59	0.0	-71.07	450.26	13.04	-58.03
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C)[NH+]2CCSCC2)O1	REAL300001678843	1	44	0.0	-70.08	350.85	8.56	-61.52
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C[N@H+](C)CC(C)(C)C)O1	REAL300001678849	0	48	0.0	-69.68	364.13	9.20	-60.48
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)O1	REAL300001678849	1	48	0.0	-70.15	364.49	9.23	-60.92
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C[N@H+](C)CCC2=CC=CC=C2)O1	REAL300001678851	0	49	0.0	-74.12	393.49	11.08	-63.04
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C[N@@H+](C)CCC2=CC=CC=C2)O1	REAL300001678851	1	49	0.0	-74.18	393.49	11.08	-63.10
COCCOCC[N@H+](C)CCC(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1	REAL300001678852	0	53	0.0	-75.16	422.51	7.31	-67.85
COCCOCC[N@@H+](C)CCC(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1	REAL300001678852	1	53	0.0	-75.85	422.53	7.32	-68.53
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC2(O)CCC[N@H+](C)C2)O1	REAL300001678856	0	47	0.0	-70.68	364.76	7.03	-63.65
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC2(O)CCC[N@@H+](C)C2)O1	REAL300001678856	1	47	0.0	-71.72	356.02	6.87	-64.85
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)O1	REAL300001678873	0	58	0.0	-78.67	448.65	10.84	-67.83
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)O1	REAL300001678874	1	52	0.0	-81.05	400.55	9.81	-71.24
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)O1	REAL300001678874	1	52	0.0	-75.93	400.46	9.76	-66.17
CCCCCC[N@H+](C)CC(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1	REAL300001678877	0	51	0.0	-71.68	398.07	10.42	-61.26
CCCCCC[N@@H+](C)CC(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1	REAL300001678877	1	51	0.0	-71.58	398.07	10.42	-61.16
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C23CCC[NH+]2CCC3)O1	REAL300001678887	0	44	0.0	-69.41	331.32	8.03	-61.38
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC3=C[NH+]=CN3C=C2)O1	REAL300001678895	1	38	0.0	-78.40	329.29	10.05	-68.35
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C[N@H+](C)C2CCSC2)O1	REAL300001678912	0	44	0.0	-74.60	353.64	8.90	-65.70
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C[N@@H+](C)C2CCSC2)O1	REAL300001678912	1	44	0.0	-73.23	353.84	8.89	-64.34
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCN2CC[NH+](C(C)C)CC2)O1	REAL300001678927	0	54	0.0	-75.37	409.70	7.86	-67.51
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC[NH+]2CCN(C(C)C)CC2)O1	REAL300001678927	1	54	0.0	-73.43	406.02	7.66	-65.77
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCCN2CC[NH+](C(C)C)CC2)O1	REAL300001678928	0	57	0.0	-73.86	426.08	8.31	-65.55
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCC[NH+]2CCN(C(C)C)CC2)O1	REAL300001678928	1	57	0.0	-75.14	427.51	8.47	-66.67
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCCC3CCC[N@@H+]32)O1	REAL300001678929	0	47	0.0	-64.03	355.58	9.31	-54.72
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCCC3CCC[N@H+]32)O1	REAL300001678929	1	47	0.0	-69.71	352.37	9.13	-60.58
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CN(CC[NH+](C)C)N=C2)O1	REAL300001678931	0	46	0.0	-83.23	373.79	7.78	-75.45
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC[NH+]2CCN(C3=CC(C)=CC=C3)CC2)O1	REAL300001678939	0	58	0.0	-77.62	448.56	10.69	-66.93
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)O1	REAL300001678941	0	55	0.0	-78.13	427.15	10.05	-68.08
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)O1	REAL300001678944	0	52	0.0	-71.50	399.24	9.92	-61.58
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)O1	REAL300001678944	1	52	0.0	-74.55	401.84	10.09	-64.46
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)O1	REAL300001678949	1	50	0.0	-68.78	391.69	11.05	-57.73
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)O1	REAL300001678949	1	50	0.0	-73.93	388.23	10.96	-62.97
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300001678973	0	53	0.0	-77.62	417.46	11.86	-65.76
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300001678973	1	53	0.0	-77.98	420.78	11.99	-65.99
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=NN(CC[NH+](C)C)C=C2)O1	REAL300001678989	0	46	0.0	-86.41	376.26	8.50	-77.91
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=NN2CC[NH+](C)C)O1	REAL300001678990	0	46	0.0	-67.96	369.09	7.85	-60.11
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1	REAL300001678996	1	47	0.0	-67.98	380.31	9.92	-58.06
CC[C@@H]1[C@@H](C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)CC[N@@H+]1C	REAL300001678999	0	46	0.0	-72.75	352.39	8.32	-64.43
CC[C@@H]1[C@@H](C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)CC[N@H+]1C	REAL300001678999	1	46	0.0	-75.89	351.14	8.65	-67.24
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)O1	REAL300001679002	1	47	0.0	-80.85	378.35	8.00	-72.85
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)O1	REAL300001679002	1	47	0.0	-81.35	377.36	8.06	-73.29
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1	REAL300001679003	1	42	0.0	-64.29	339.73	8.41	-55.88
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1	REAL300001679003	1	42	0.0	-71.70	345.67	8.86	-62.84
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2C[N@@H+](C)CC(C)O2)O1	REAL300001679011	1	44	0.0	-79.21	342.39	7.52	-71.69
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2C[N@H+](C)CC(C)O2)O1	REAL300001679011	1	44	0.0	-84.68	349.36	7.71	-76.97
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)O1	REAL300001679017	0	53	0.0	-75.99	410.78	11.84	-64.15
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)O1	REAL300001679017	1	53	0.0	-73.75	413.38	12.01	-61.74
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)O1	REAL300001679018	1	49	0.0	-64.22	387.58	9.15	-55.07
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)O1	REAL300001679018	1	49	0.0	-70.79	391.47	9.35	-61.44
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C)C[NH+]2CCOCC2)O1	REAL300001679023	0	47	0.0	-75.09	360.74	7.12	-67.97
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)O1	REAL300001679024	0	54	0.0	-78.00	424.88	9.44	-68.56
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C[NH+]2CCC(C)CC2)O1	REAL300001679034	0	46	0.0	-71.58	357.42	9.14	-62.44
CC[N@@H+]1CCOC(C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)C1	REAL300001679049	1	44	0.0	-83.10	347.59	7.67	-75.43
CC[N@H+]1CCOC(C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)C1	REAL300001679049	1	44	0.0	-77.28	338.99	7.44	-69.84
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CC[N@@H+](C3CCCCC3)C2)O1	REAL300001679089	0	53	0.0	-75.46	398.24	10.51	-64.95
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CC[N@H+](C3CCCCC3)C2)O1	REAL300001679089	1	53	0.0	-73.44	396.71	10.46	-62.98
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCC2CCC[N@@H+]2C)O1	REAL300001679096	0	46	0.0	-74.60	356.30	8.73	-65.87
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCC2CCC[N@H+]2C)O1	REAL300001679096	1	46	0.0	-73.43	363.08	9.23	-64.20
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C23CCC[NH+](CCC2)C3)O1	REAL300001679109	0	47	0.0	-73.80	341.89	8.35	-65.45
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2(C)CC(O)C[N@@H+]2C)O1	REAL300001679113	0	44	0.0	-68.60	334.72	4.23	-64.37
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2(C)CC(O)C[N@H+]2C)O1	REAL300001679113	1	44	0.0	-69.06	332.26	4.27	-64.79
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC3CCCC[N@@H+]32)O1	REAL300001679114	0	47	0.0	-65.18	355.48	9.19	-55.99
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC3CCCC[N@H+]32)O1	REAL300001679114	1	47	0.0	-64.83	358.87	9.41	-55.42
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C)(C)C[NH+]2CCOCC2)O1	REAL300001679122	0	50	0.0	-67.65	364.35	7.32	-60.33
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)O1	REAL300001679127	0	53	0.0	-80.88	405.48	8.94	-71.94
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)O1	REAL300001679127	1	53	0.0	-86.36	413.44	9.24	-77.12
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)O1	REAL300001679132	0	55	0.0	-69.72	429.25	9.24	-60.48
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)O1	REAL300001679133	0	55	0.0	-81.69	427.54	9.21	-72.48
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)O1	REAL300001679133	1	55	0.0	-83.26	427.40	9.10	-74.16
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)C=C1	REAL300001679134	0	56	0.0	-78.79	437.08	10.95	-67.84
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CC[NH+](C(C)C)CC2)O1	REAL300001679142	0	49	0.0	-76.53	366.29	9.09	-67.44
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C23CC[N@H+](C2)CCC3)O1	REAL300001679229	0	44	0.0	-87.59	326.53	7.46	-80.13
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C23CC[N@@H+](C2)CCC3)O1	REAL300001679229	1	44	0.0	-72.73	326.66	7.53	-65.20
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C[NH+]2C(C)CCC2C)O1	REAL300001679282	0	46	0.0	-68.13	351.58	8.66	-59.47
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=CC(C[NH+](C)C)=C2)O1	REAL300001679283	0	46	0.0	-76.49	370.64	9.80	-66.69
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300001679284	0	53	0.0	-70.11	404.38	11.77	-58.34
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300001679284	1	53	0.0	-71.06	405.36	11.83	-59.23
C#CC[NH+]1CCC(C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)CC1	REAL300001679354	0	45	0.0	-79.39	360.30	9.28	-70.11
CCC[N@@H+]1CCCCC1C(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1	REAL300001679356	0	49	0.0	-70.50	368.10	9.34	-61.16
CCC[N@H+]1CCCCC1C(=O)N(C)CC1=CC(C(=O)[O-])=C(C)O1	REAL300001679356	1	49	0.0	-67.59	374.99	9.63	-57.96
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=CC=C2C[NH+](C)C)O1	REAL300001679357	0	46	0.0	-56.34	367.25	9.83	-46.51
CC[NH+]1CCN(CCC(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)CC1	REAL300001679359	0	51	0.0	-76.96	392.45	7.31	-69.65
CCN1CC[NH+](CCC(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)CC1	REAL300001679359	1	51	0.0	-75.28	392.96	7.36	-67.92
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C(C)C)[NH+]2CCCCC2)O1	REAL300001679361	0	52	0.0	-63.11	376.50	9.58	-53.53
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C2=CC=CC=C2)[NH+](C)C)O1	REAL300001679362	1	46	0.0	-64.94	361.95	9.87	-55.07
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300001679366	0	51	0.0	-75.92	406.21	8.05	-67.87
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300001679366	1	51	0.0	-68.70	405.10	8.12	-60.58
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCN2C=C[NH+]=C2C(C)C)O1	REAL300001679372	1	47	0.0	-66.95	379.77	9.86	-57.09
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)O1	REAL300001679373	0	49	0.0	-65.64	396.84	10.65	-54.99
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@@H+]2C2CCCC2)O1	REAL300001679379	0	50	0.0	-66.99	379.92	9.99	-57.00
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@H+]2C2CCCC2)O1	REAL300001679379	1	50	0.0	-66.92	380.11	10.07	-56.85
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C(C)C)[NH+]2CC(C)OC(C)C2)O1	REAL300001679409	1	56	0.0	-66.92	412.54	9.02	-57.90
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C(C)[NH+]2CCCCCC2)O1	REAL300001679410	0	49	0.0	-65.99	362.94	9.39	-56.60
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)O1	REAL300001679448	1	51	0.0	-81.16	405.96	10.27	-70.89
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)O1	REAL300001679448	1	51	0.0	-80.92	405.74	10.20	-70.72
CC[NH+](CC)CC1=CC=C(C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)O1	REAL300001679504	0	49	0.0	-78.56	386.93	9.67	-68.89
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)CCCC[NH+]2CCCC2)O1	REAL300001679505	0	49	0.0	-74.72	385.68	10.02	-64.70
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)O1	REAL300001679507	1	52	0.0	-72.02	404.65	9.57	-62.45
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C[N@H+](C)CC2=CC=CC=C2)O1	REAL300001679508	1	46	0.0	-74.05	371.01	10.24	-63.81
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C[N@@H+](C)CC2=CC=CC=C2)O1	REAL300001679508	1	46	0.0	-74.29	371.01	10.25	-64.04
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)O1	REAL300001679512	0	58	0.0	-81.32	437.37	10.15	-71.17
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)O1	REAL300001679531	1	41	0.0	-81.20	348.13	7.72	-73.48
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=NOC(C[NH+](C)C)=C2)O1	REAL300001679563	1	42	0.0	-82.06	351.33	7.97	-74.09
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)O1	REAL300001679567	0	53	0.0	-72.74	414.94	11.80	-60.94
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)O1	REAL300001679567	1	53	0.0	-81.39	416.26	11.55	-69.84
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@H+]2C(C)C)O1	REAL300001679586	0	46	0.0	-70.54	346.83	9.13	-61.41
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@@H+]2C(C)C)O1	REAL300001679586	1	46	0.0	-66.65	342.44	8.74	-57.91
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)O1	REAL300001679593	0	54	0.0	-82.25	436.01	11.16	-71.09
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)COC2CC[NH+](C)CC2)O1	REAL300001679614	0	47	0.0	-80.60	374.31	8.82	-71.78
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)O1	REAL300001679619	0	50	0.0	-79.44	397.75	10.46	-68.98
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)O1	REAL300001679664	0	52	0.0	-71.22	406.94	9.80	-61.42
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)O1	REAL300001679664	1	52	0.0	-80.41	402.66	9.67	-70.74
CCC[N@@H+]1CCCC(C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)C1	REAL300001679816	0	49	0.0	-67.12	366.97	9.60	-57.52
CCC[N@H+]1CCCC(C(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)C1	REAL300001679816	1	49	0.0	-71.26	374.73	9.48	-61.78
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@H+]2CC(C)C)O1	REAL300001679849	0	49	0.0	-69.57	366.87	8.99	-60.58
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@@H+]2CC(C)C)O1	REAL300001679849	1	49	0.0	-68.60	376.58	9.72	-58.88
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C[NH+]2CCC(CO)CC2)O1	REAL300001679850	1	47	0.0	-72.28	368.25	5.82	-66.46
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)O1	REAL300001679952	0	54	0.0	-68.28	419.37	11.92	-56.36
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)O1	REAL300001679952	1	54	0.0	-75.89	421.28	11.88	-64.01
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)O1	REAL300001679993	1	53	0.0	-70.11	407.45	11.44	-58.67
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)O1	REAL300001679993	1	53	0.0	-73.37	410.25	11.52	-61.85
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@@H+](C(C)C)C2)O1	REAL300001680090	0	49	0.0	-64.64	364.77	9.55	-55.09
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2CCC[N@H+](C(C)C)C2)O1	REAL300001680090	1	49	0.0	-64.78	361.85	9.35	-55.43
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2C[N@H+](C)CC2C(F)(F)F)O1	REAL300001680091	0	43	0.0	-85.79	354.85	8.23	-77.56
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2C[N@@H+](C)CC2C(F)(F)F)O1	REAL300001680091	1	43	0.0	-76.66	346.08	8.39	-68.27
CC1=C(C)[NH+]=C(CCC(=O)N(C)CC2=CC(C(=O)[O-])=C(C)O2)N1	REAL300001680115	1	44	0.0	-68.88	364.59	7.99	-60.89
CC1=C(C(=O)[O-])C=C(CN(C)C(=O)C2=CC=CC(CC[NH+](C)C)=C2)O1	REAL300001680620	0	49	0.0	-77.21	393.12	10.66	-66.55
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CC(C)C1=[NH+]C=CN1CCC(=O)NC1(CC(=O)[O-])CCOCC1	REAL300001684204	1	48	0.0	-51.48	358.87	7.52	-43.96
CC(C(=O)NC1(CC(=O)[O-])CCOCC1)[NH+]1CCCCCC1	REAL300001684232	0	50	0.0	-48.35	343.54	6.78	-41.57
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C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(CC(=O)[O-])CCOCC3)=CC=C1N2	REAL300001684263	1	52	0.0	-73.81	386.50	8.19	-65.62
CC[NH+](CC)CC1=CC=C(C(=O)NC2(CC(=O)[O-])CCOCC2)O1	REAL300001684307	0	50	0.0	-64.46	372.95	7.47	-56.99
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CC1=CC=C(N2CCC(C(=O)NC3(CC(=O)[O-])CCOCC3)CC2)[NH+]=C1	REAL300001684310	1	53	0.0	-59.54	387.07	7.34	-52.20
C[N@H+](CC(=O)NC1(CC(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300001684311	1	47	0.0	-51.61	349.93	7.86	-43.75
C[N@@H+](CC(=O)NC1(CC(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300001684311	1	47	0.0	-52.24	349.92	7.86	-44.38
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3(CC(=O)[O-])CCOCC3)C=C2)CC1	REAL300001684315	0	59	0.0	-73.02	419.43	8.14	-64.88
O=C([O-])CC1(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCOCC1	REAL300001684327	1	42	0.0	-69.64	332.64	5.74	-63.90
C[NH+](C)CC1=CC(C(=O)NC2(CC(=O)[O-])CCOCC2)=NO1	REAL300001684349	1	43	0.0	-69.79	331.62	5.35	-64.44
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(CC(=O)[O-])CCOCC1	REAL300001684354	0	54	0.0	-53.54	390.00	9.14	-44.40
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(CC(=O)[O-])CCOCC1	REAL300001684354	1	54	0.0	-65.41	398.81	9.37	-56.04
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(CC(=O)[O-])CCOCC2)C=C1	REAL300001684377	0	55	0.0	-72.43	415.64	8.83	-63.60
C[NH+]1CCC(OCC(=O)NC2(CC(=O)[O-])CCOCC2)CC1	REAL300001684389	0	48	0.0	-66.77	353.23	6.22	-60.55
O=C([O-])CC1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCOCC1	REAL300001684395	0	51	0.0	-65.03	378.34	7.86	-57.17
CCC[N@@H+]1CCCC(C(=O)NC2(CC(=O)[O-])CCOCC2)C1	REAL300001684531	0	50	0.0	-46.39	348.25	7.43	-38.96
CCC[N@H+]1CCCC(C(=O)NC2(CC(=O)[O-])CCOCC2)C1	REAL300001684531	1	50	0.0	-51.08	349.28	7.43	-43.65
O=C([O-])CC1(NC(=O)C[NH+]2CCC(CO)CC2)CCOCC1	REAL300001684558	0	48	0.0	-53.44	347.14	3.54	-49.90
CC(C)[N@@H+]1CCCC(C(=O)NC2(CC(=O)[O-])CCOCC2)C1	REAL300001684729	0	50	0.0	-45.42	343.39	7.20	-38.22
CC(C)[N@H+]1CCCC(C(=O)NC2(CC(=O)[O-])CCOCC2)C1	REAL300001684729	1	50	0.0	-55.54	352.48	7.06	-48.48
C[N@@H+]1CC(C(=O)NC2(CC(=O)[O-])CCOCC2)C(C(F)(F)F)C1	REAL300001684730	0	44	0.0	-49.85	336.27	5.98	-43.87
C[N@H+]1CC(C(=O)NC2(CC(=O)[O-])CCOCC2)C(C(F)(F)F)C1	REAL300001684730	1	44	0.0	-69.07	321.03	5.50	-63.57
CC1=C(C)[NH+]=C(CCC(=O)NC2(CC(=O)[O-])CCOCC2)N1	REAL300001684754	1	45	0.0	-50.99	343.51	5.55	-45.44
C[NH+](C)CCC1=CC=CC(C(=O)NC2(CC(=O)[O-])CCOCC2)=C1	REAL300001685138	0	50	0.0	-70.42	374.00	8.61	-61.81
C[NH+](C)CCOC1=CC=C(C(=O)NC2(CC(=O)[O-])CCOCC2)C=C1	REAL300001685145	0	51	0.0	-71.01	381.21	7.56	-63.45
O=C([O-])CC1(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CCOCC1	REAL300001685227	0	57	0.0	-57.17	412.99	10.21	-46.96
CC1C[N@H+](CC2=CC=C(C(=O)NC3(CC(=O)[O-])CCOCC3)C=C2)CCO1	REAL300001685229	1	55	0.0	-71.73	405.51	7.97	-63.76
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(CC(=O)[O-])CCOCC3)C=C2)CCO1	REAL300001685229	1	55	0.0	-71.75	405.54	7.95	-63.80
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(CC(=O)[O-])CCOCC2)CC1	REAL300001685257	0	50	0.0	-42.28	342.73	6.90	-35.38
CC1=[NH+]C=C2C=CC(C(=O)NC3(CC(=O)[O-])CCOCC3)=CN21	REAL300001685262	0	42	0.0	-56.84	324.87	7.56	-49.28
CC(C)C[N@@H+]1CCCC(C(=O)NC2(CC(=O)[O-])CCOCC2)C1	REAL300001685311	0	53	0.0	-48.70	364.68	8.23	-40.47
CC(C)C[N@H+]1CCCC(C(=O)NC2(CC(=O)[O-])CCOCC2)C1	REAL300001685311	1	53	0.0	-56.01	374.72	7.98	-48.03
C[NH+](C)CC1=CC=C(C(=O)NC2(CC(=O)[O-])CCOCC2)O1	REAL300001685317	1	44	0.0	-65.71	336.75	5.99	-59.72
O=C([O-])CC1(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CCOCC1	REAL300001685325	0	46	0.0	-46.69	326.28	6.66	-40.03
O=C([O-])CC1(NC(=O)C23CC(C2)C[N@H+]3C2CC2)CCOCC1	REAL300001685325	1	46	0.0	-52.58	315.77	6.97	-45.61
CC(C)(C)[C@H](NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001686335	0	52	0.0	-73.86	386.69	10.26	-63.60
CC1=NC(C[NH+]2CCC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC2)=CS1	REAL300001687567	1	51	0.0	-75.22	395.35	7.93	-67.29
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300001687611	0	55	0.0	-77.51	419.67	9.78	-67.73
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300001687616	0	55	0.0	-77.78	421.42	12.16	-65.62
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300001687616	1	55	0.0	-78.05	420.41	12.12	-65.93
CC(C)(C)[C@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300001687725	0	45	0.0	-80.73	356.45	7.64	-73.09
CC(C)(C)[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300001687743	0	53	0.0	-77.09	378.93	7.26	-69.83
CC(C)(C)[C@H](NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300001687762	1	49	0.0	-75.00	365.48	6.58	-68.42
CC[N@H+](CC1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1)C(C)C	REAL300001687763	0	54	0.0	-77.05	388.74	9.97	-67.08
CC[N@@H+](CC1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1)C(C)C	REAL300001687763	1	54	0.0	-77.50	383.11	9.71	-67.79
CC(C)(C)[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001687778	0	49	0.0	-64.69	368.73	9.40	-55.29
CC(C)(C)[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001687778	1	49	0.0	-65.44	368.75	9.41	-56.03
CC(C)(C)[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300001687779	0	50	0.0	-74.41	369.39	8.91	-65.50
CC(C)(C)[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300001687800	0	53	0.0	-66.14	362.34	6.87	-59.27
CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300001687803	0	48	0.0	-58.94	362.20	9.00	-49.94
CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300001687803	1	48	0.0	-61.22	360.50	9.04	-52.18
CC(C)(C)[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001687810	0	55	0.0	-60.36	403.00	11.29	-49.07
CC(C)(C)[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001687810	1	55	0.0	-69.84	410.85	11.05	-58.79
CCC[NH+](CCC)CCCC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300001687830	0	53	0.0	-69.06	384.64	8.98	-60.08
CC(C)(C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300001687845	0	49	0.0	-80.79	368.58	9.67	-71.12
CC(C)(C)[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300001687850	0	52	0.0	-73.97	385.32	10.38	-63.59
CCN1CCC([NH+]2CCC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC2)CC1	REAL300001687856	0	60	0.0	-71.44	420.97	7.81	-63.63
CC1C[NH+](CC2=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC(C)O1	REAL300001687862	1	56	0.0	-83.40	418.63	9.41	-73.99
CC(C)(C)[C@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001687872	1	53	0.0	-77.09	393.15	9.51	-67.58
CC(C)(C)[C@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001687872	1	53	0.0	-76.11	401.55	9.52	-66.59
CC1=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300001687886	1	43	0.0	-78.95	341.37	6.91	-72.04
CC(C)(C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300001687889	0	52	0.0	-81.16	385.32	10.38	-70.78
CC(C)(C)[C@H](NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300001687899	1	45	0.0	-76.98	350.62	7.10	-69.88
C[NH+](C)CCC1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300001687900	0	48	0.0	-84.38	366.24	9.37	-75.01
CC(C)(C)[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001687903	1	50	0.0	-68.00	379.68	9.04	-58.96
CC(C)(C)[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001687903	1	50	0.0	-77.72	379.74	9.04	-68.68
CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001687911	0	58	0.0	-55.05	423.86	11.49	-43.56
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300001687936	0	48	0.0	-62.73	366.34	9.44	-53.29
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300001687936	1	48	0.0	-62.72	366.35	9.44	-53.28
COCCOCC[N@H+](C)CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300001687937	0	52	0.0	-67.28	395.38	5.61	-61.67
COCCOCC[N@@H+](C)CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300001687937	1	52	0.0	-67.15	395.40	5.61	-61.54
CC(C)(C)[C@H](NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001687943	0	57	0.0	-73.87	421.52	9.13	-64.74
CC(C)[NH+]1CCN(CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300001687969	0	53	0.0	-73.37	377.45	5.78	-67.59
CC(C)N1CC[NH+](CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300001687969	1	53	0.0	-64.60	377.27	5.99	-58.61
CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300001687970	0	56	0.0	-70.93	403.40	7.04	-63.89
CC(C)N1CC[NH+](CCCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300001687970	1	56	0.0	-69.68	400.38	6.76	-62.92
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC2)=C1	REAL300001687974	0	57	0.0	-69.94	421.42	8.99	-60.95
CC(C)(C)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001687975	0	54	0.0	-67.99	398.40	8.36	-59.63
CC(C)(C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001687978	0	51	0.0	-67.78	381.67	8.45	-59.33
CC(C)(C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001687978	1	51	0.0	-65.91	381.58	8.36	-57.55
CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001687982	1	49	0.0	-60.71	362.24	9.56	-51.15
CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300001687982	1	49	0.0	-58.31	360.66	9.58	-48.73
CC(C)(C)[C@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001687999	0	52	0.0	-72.88	390.29	10.14	-62.74
CC(C)(C)[C@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001687999	1	52	0.0	-73.34	390.16	10.16	-63.18
CC(C)(C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001688016	0	52	0.0	-69.34	394.76	10.25	-59.09
CC(C)(C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001688016	1	52	0.0	-65.70	393.13	10.28	-55.42
CC(C)(C)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001688018	0	53	0.0	-68.22	397.11	7.81	-60.41
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300001688040	1	52	0.0	-73.67	387.40	8.59	-65.08
CC(C)(C)[C@H](NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300001688041	0	52	0.0	-67.50	372.52	8.85	-58.65
CC(C)(C)[C@H](NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300001688041	1	52	0.0	-64.51	371.15	8.96	-55.55
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C2)CC1	REAL300001688059	0	54	0.0	-76.35	404.05	7.92	-68.43
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300001688060	0	54	0.0	-79.36	403.31	7.99	-71.37
CN1CC[NH+](CC2=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300001688060	1	54	0.0	-81.90	401.84	7.83	-74.07
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300001688061	0	55	0.0	-80.41	408.75	9.66	-70.75
CC(C)(C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001688114	0	56	0.0	-83.24	416.99	7.69	-75.55
CC(C)(C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001688116	0	52	0.0	-62.28	382.09	10.39	-51.89
CC(C)(C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001688116	1	52	0.0	-59.71	380.75	10.43	-49.28
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1N2	REAL300001688196	1	50	0.0	-81.42	378.56	8.96	-72.46
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1N2	REAL300001688196	1	50	0.0	-82.11	379.70	8.97	-73.14
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)O1	REAL300001688234	0	48	0.0	-73.58	365.95	8.21	-65.37
CC1=CC=C(N2CCC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC2)[NH+]=C1	REAL300001688236	1	51	0.0	-71.21	380.58	8.13	-63.08
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300001688239	0	57	0.0	-84.16	413.38	8.86	-75.30
CC(C)(C)[C@H](NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300001688246	1	40	0.0	-78.69	326.52	6.44	-72.25
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300001688270	0	52	0.0	-69.85	389.34	9.99	-59.86
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300001688270	1	52	0.0	-74.12	391.70	10.16	-63.96
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300001688285	0	53	0.0	-81.77	408.09	9.50	-72.27
CC(C)(C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300001688297	0	49	0.0	-76.72	372.30	8.59	-68.13
C[N@@H+]1CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C(F)(F)F)C1	REAL300001688541	0	42	0.0	-79.24	329.96	6.76	-72.48
C[N@H+]1CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C(F)(F)F)C1	REAL300001688541	1	42	0.0	-75.50	330.90	6.80	-68.70
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300001688828	0	48	0.0	-77.31	367.20	9.39	-67.92
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300001688831	0	49	0.0	-81.73	373.55	8.32	-73.41
CC(C)(C)[C@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001688891	0	55	0.0	-71.71	406.25	11.01	-60.70
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CCO1	REAL300001688893	1	53	0.0	-83.10	391.12	8.70	-74.40
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CCO1	REAL300001688893	1	53	0.0	-83.17	391.17	8.70	-74.47
CCC(C)(CC(=O)[O-])NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001689953	0	52	0.0	-72.66	378.18	9.88	-62.78
CCC(C)(CC(=O)[O-])NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1	REAL300001691185	1	51	0.0	-72.66	385.64	7.64	-65.02
CCC(C)(CC(=O)[O-])NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001691229	0	55	0.0	-72.20	411.16	9.40	-62.80
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300001691234	0	55	0.0	-73.66	411.74	11.76	-61.90
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300001691234	1	55	0.0	-73.14	411.95	11.73	-61.41
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300001691343	0	45	0.0	-71.37	346.03	7.31	-64.06
CCC(C)(CC(=O)[O-])NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300001691361	0	53	0.0	-62.94	358.32	6.64	-56.30
CCC(C)(CC(=O)[O-])NC(=O)CCCC[NH+]1CCOCC1	REAL300001691380	1	49	0.0	-70.87	355.37	6.25	-64.62
CC[N@H+](CC1=CC=C(C(=O)NC(C)(CC)CC(=O)[O-])C=C1)C(C)C	REAL300001691381	0	54	0.0	-71.33	383.57	9.79	-61.54
CC[N@@H+](CC1=CC=C(C(=O)NC(C)(CC)CC(=O)[O-])C=C1)C(C)C	REAL300001691381	1	54	0.0	-71.34	374.37	9.36	-61.98
CCC(C)(CC(=O)[O-])NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001691396	0	49	0.0	-66.67	360.30	9.03	-57.64
CCC(C)(CC(=O)[O-])NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001691396	1	49	0.0	-67.46	361.19	9.16	-58.30
CCC(C)(CC(=O)[O-])NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001691397	0	50	0.0	-74.82	356.92	8.28	-66.54
CCC(C)(CC(=O)[O-])NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300001691418	0	53	0.0	-66.94	353.83	6.49	-60.45
CCC(C)(CC(=O)[O-])NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300001691421	0	48	0.0	-62.99	352.05	8.65	-54.34
CCC(C)(CC(=O)[O-])NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300001691421	1	48	0.0	-63.62	351.87	8.62	-55.00
CCC(C)(CC(=O)[O-])NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001691428	0	55	0.0	-69.95	400.74	10.70	-59.25
CCC(C)(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001691428	1	55	0.0	-62.20	389.64	10.79	-51.41
CCC[NH+](CCC)CCCC(=O)NC(C)(CC)CC(=O)[O-]	REAL300001691448	0	53	0.0	-66.98	379.65	8.86	-58.12
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300001691463	0	49	0.0	-74.15	358.96	9.26	-64.89
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001691468	0	52	0.0	-68.74	376.80	9.98	-58.76
CCN1CCC([NH+]2CCC(C(=O)NC(C)(CC)CC(=O)[O-])CC2)CC1	REAL300001691474	0	60	0.0	-69.11	408.01	7.36	-61.75
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300001691480	1	56	0.0	-77.26	409.86	9.06	-68.20
CCC(C)(CC(=O)[O-])NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001691490	1	53	0.0	-76.53	384.43	9.07	-67.46
CCC(C)(CC(=O)[O-])NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001691490	1	53	0.0	-76.52	384.45	9.06	-67.46
CCC(C)(CC(=O)[O-])NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1	REAL300001691504	1	43	0.0	-74.51	332.63	6.56	-67.95
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001691507	0	52	0.0	-74.69	376.28	9.99	-64.70
CCC(C)(CC(=O)[O-])NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300001691517	1	45	0.0	-72.45	340.29	6.78	-65.67
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300001691518	0	48	0.0	-76.67	357.52	9.02	-67.65
CCC(C)(CC(=O)[O-])NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001691529	0	58	0.0	-62.06	415.15	11.15	-50.91
CCC(C)(CC(=O)[O-])NC(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300001691554	0	48	0.0	-66.99	356.03	9.11	-57.88
CCC(C)(CC(=O)[O-])NC(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300001691554	1	48	0.0	-67.04	356.02	9.11	-57.93
CCC(C)(CC(=O)[O-])NC(=O)CC[N@H+](C)CCOCCOC	REAL300001691555	0	52	0.0	-68.09	385.28	5.27	-62.82
CCC(C)(CC(=O)[O-])NC(=O)CC[N@@H+](C)CCOCCOC	REAL300001691555	1	52	0.0	-66.87	385.02	5.29	-61.58
CCC(C)(CC(=O)[O-])NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001691561	0	57	0.0	-72.01	411.19	8.82	-63.19
CCC(C)(CC(=O)[O-])NC(=O)CCN1CC[NH+](C(C)C)CC1	REAL300001691587	0	53	0.0	-66.21	372.45	5.82	-60.39
CCC(C)(CC(=O)[O-])NC(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300001691588	0	56	0.0	-65.34	393.74	6.65	-58.69
CCC(C)(CC(=O)[O-])NC(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300001691588	1	56	0.0	-67.88	390.05	6.44	-61.44
CCC(C)(CC(=O)[O-])NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300001691592	0	57	0.0	-71.08	411.09	8.68	-62.40
CCC(C)(CC(=O)[O-])NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001691593	0	54	0.0	-71.08	389.69	8.01	-63.07
CCC(C)(CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300001691596	0	51	0.0	-68.53	363.46	8.17	-60.36
CCC(C)(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300001691596	1	51	0.0	-68.13	366.86	8.27	-59.86
CCC(C)(CC(=O)[O-])NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001691600	1	49	0.0	-63.30	352.14	9.21	-54.09
CCC(C)(CC(=O)[O-])NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300001691600	1	49	0.0	-63.01	355.24	9.04	-53.97
CCC(C)(CC(=O)[O-])NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001691617	0	52	0.0	-71.46	382.13	9.88	-61.58
CCC(C)(CC(=O)[O-])NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001691617	1	52	0.0	-71.51	382.56	9.89	-61.62
CCC(C)(CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300001691634	0	52	0.0	-68.73	374.94	10.00	-58.73
CCC(C)(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300001691634	1	52	0.0	-64.09	378.36	10.10	-53.99
CCC(C)(CC(=O)[O-])NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300001691636	0	53	0.0	-70.97	387.42	7.43	-63.54
CCC(C)(CC(=O)[O-])NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1	REAL300001691658	1	52	0.0	-77.02	374.64	8.08	-68.94
CCC(C)(CC(=O)[O-])NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300001691659	0	52	0.0	-63.82	362.56	8.56	-55.26
CCC(C)(CC(=O)[O-])NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300001691659	1	52	0.0	-66.20	362.43	8.53	-57.67
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300001691677	0	54	0.0	-67.10	393.71	7.60	-59.50
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300001691678	0	54	0.0	-72.14	392.98	7.38	-64.76
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300001691678	1	54	0.0	-75.44	393.11	7.48	-67.96
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C)(CC)CC(=O)[O-])C=C1	REAL300001691679	0	55	0.0	-72.03	400.03	9.30	-62.73
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001691732	0	56	0.0	-76.96	408.27	7.34	-69.62
CCC(C)(CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001691734	0	52	0.0	-62.44	371.77	10.07	-52.37
CCC(C)(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001691734	1	52	0.0	-62.91	367.25	9.93	-52.98
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300001691814	1	50	0.0	-74.76	370.03	8.58	-66.18
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300001691814	1	50	0.0	-74.59	370.03	8.57	-66.02
CC[NH+](CC)CC1=CC=C(C(=O)NC(C)(CC)CC(=O)[O-])O1	REAL300001691852	0	48	0.0	-70.35	352.68	7.59	-62.76
CCC(C)(CC(=O)[O-])NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300001691854	1	51	0.0	-65.54	370.92	7.76	-57.78
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300001691857	0	57	0.0	-73.75	403.04	8.54	-65.21
CCC(C)(CC(=O)[O-])NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300001691864	1	40	0.0	-73.42	316.38	6.10	-67.32
CCC(C)(CC(=O)[O-])NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300001691888	0	52	0.0	-68.78	372.53	9.43	-59.35
CCC(C)(CC(=O)[O-])NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300001691888	1	52	0.0	-68.38	378.79	9.70	-58.68
CCC(C)(CC(=O)[O-])NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001691903	0	53	0.0	-74.55	399.57	9.13	-65.42
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001691915	0	49	0.0	-71.21	363.02	8.37	-62.84
CCC(C)(CC(=O)[O-])NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300001692159	0	42	0.0	-73.57	321.60	6.39	-67.18
CCC(C)(CC(=O)[O-])NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300001692159	1	42	0.0	-70.78	308.13	6.85	-63.93
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300001692446	0	48	0.0	-71.38	357.52	9.02	-62.36
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300001692449	0	49	0.0	-74.29	364.81	7.96	-66.33
CCC(C)(CC(=O)[O-])NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001692509	0	55	0.0	-65.98	396.80	10.57	-55.41
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300001692511	1	53	0.0	-76.85	382.39	8.35	-68.50
CCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300001692511	1	53	0.0	-76.96	382.44	8.35	-68.61
O=C([O-])C1COCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001693571	0	48	0.0	-83.07	358.84	9.34	-73.73
CC1=NC(C[NH+]2CCC(C(=O)N3CCOCC3C(=O)[O-])CC2)=CS1	REAL300001694803	1	47	0.0	-84.02	365.94	7.19	-76.83
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300001694847	0	51	0.0	-86.16	392.80	9.16	-77.00
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOCC2C(=O)[O-])=C1	REAL300001694852	0	51	0.0	-86.52	391.12	11.12	-75.40
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOCC2C(=O)[O-])=C1	REAL300001694852	1	51	0.0	-85.08	391.12	11.14	-73.94
O=C([O-])C1COCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300001694961	0	41	0.0	-88.38	325.19	6.64	-81.74
O=C([O-])C1COCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300001694979	0	49	0.0	-86.52	349.76	6.53	-79.99
O=C([O-])C1COCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300001694998	1	45	0.0	-81.46	336.96	5.99	-75.47
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CC[N@@H+](CC1=CC=C(C(=O)N2CCOCC2C(=O)[O-])C=C1)C(C)C	REAL300001694999	1	50	0.0	-90.60	353.22	8.80	-81.80
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CC(C(=O)[O-])C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=CC=CC=C1	REAL300001711381	1	49	0.0	-80.93	385.54	9.10	-71.83
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CC(C(=O)[O-])C(NC(=O)CC1(O)CCC[N@H+](C)C1)C1=CC=CC=C1	REAL300001711445	0	50	0.0	-59.46	360.86	7.51	-51.95
CC(C(=O)[O-])C(NC(=O)CC1(O)CCC[N@@H+](C)C1)C1=CC=CC=C1	REAL300001711445	1	50	0.0	-70.05	366.23	7.11	-62.94
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CC(C(=O)[O-])C(NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC=CC=C1	REAL300001711502	0	50	0.0	-62.36	370.28	9.83	-52.53
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CC(C(=O)[O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=CC=CC=C1	REAL300001711510	1	55	0.0	-73.49	416.22	10.14	-63.35
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CC(C(=O)[O-])C(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=CC=CC=C1	REAL300001711547	0	49	0.0	-81.70	397.76	8.97	-72.73
CC(C(=O)[O-])C(NC(=O)C1=CC=NN1CC[NH+](C)C)C1=CC=CC=C1	REAL300001711548	0	49	0.0	-60.87	379.65	8.29	-52.58
CC(C(=O)[O-])C(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1=CC=CC=C1	REAL300001711550	0	46	0.0	-74.80	342.80	8.15	-66.65
CC(C(=O)[O-])C(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1=CC=CC=C1	REAL300001711550	1	46	0.0	-76.00	337.84	8.91	-67.09
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300001711551	1	50	0.0	-52.53	388.79	10.51	-42.02
CC[C@@H]1[C@@H](C(=O)NC(C2=CC=CC=C2)C(C)C(=O)[O-])CC[N@@H+]1C	REAL300001711554	0	49	0.0	-55.72	353.32	9.08	-46.64
CC[C@@H]1[C@@H](C(=O)NC(C2=CC=CC=C2)C(C)C(=O)[O-])CC[N@H+]1C	REAL300001711554	1	49	0.0	-68.80	361.58	9.02	-59.78
CC(C(=O)[O-])C(NC(=O)C1C[N@H+](C)CC(C)O1)C1=CC=CC=C1	REAL300001711564	1	47	0.0	-59.99	363.49	8.75	-51.24
CC(C(=O)[O-])C(NC(=O)C1C[N@@H+](C)CC(C)O1)C1=CC=CC=C1	REAL300001711564	1	47	0.0	-80.57	350.63	7.84	-72.73
CC(C(=O)[O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=CC=CC=C1	REAL300001711568	0	56	0.0	-72.72	421.55	12.27	-60.45
CC(C(=O)[O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=CC=CC=C1	REAL300001711568	1	56	0.0	-75.78	433.45	12.24	-63.54
CC1=[NH+]C=CN1CC(=O)NC(C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300001711572	1	41	0.0	-47.36	330.99	9.13	-38.23
CC(C[NH+]1CCOCC1)C(=O)NC(C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300001711574	0	50	0.0	-75.85	373.40	7.75	-68.10
CC(C(=O)[O-])C(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=CC=CC=C1	REAL300001711575	0	57	0.0	-78.42	430.51	9.63	-68.79
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CC[N@@H+]1CCOC(C(=O)NC(C2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300001711600	1	47	0.0	-69.07	354.66	8.32	-60.75
CC[N@H+]1CCOC(C(=O)NC(C2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300001711600	1	47	0.0	-55.06	339.73	8.19	-46.87
CC(C(=O)[O-])C(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C1=CC=CC=C1	REAL300001711631	1	56	0.0	-78.81	422.10	10.37	-68.44
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CC(C(=O)[O-])C(NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC=CC=C1	REAL300001711748	1	47	0.0	-72.32	341.24	9.03	-63.29
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CC(C(=O)[O-])C(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=CC=CC=C1	REAL300001712431	0	46	0.0	-73.18	356.17	8.27	-64.91
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CC1=[NH+]C=C2CCC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])CN12	REAL300001715426	1	41	0.0	-50.46	341.08	9.03	-41.43
CC1=NC(C[NH+]2CCC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])CC2)=CS1	REAL300001715489	1	48	0.0	-73.64	398.31	9.28	-64.36
CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])N1CC[NH+](C)CC1	REAL300001715490	1	44	0.0	-61.32	341.69	6.10	-55.22
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CC[N@H+](CC1=CC=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1)C(C)C	REAL300001715752	0	51	0.0	-62.74	394.88	11.12	-51.62
CC[N@@H+](CC1=CC=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1)C(C)C	REAL300001715752	1	51	0.0	-65.40	388.45	10.99	-54.41
O=C([O-])CN(CCC(F)(F)F)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001715772	0	46	0.0	-51.45	369.00	10.68	-40.77
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CCC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])[NH+](CC)CC	REAL300001715805	0	44	0.0	-44.93	332.78	8.52	-36.41
CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300001715807	0	45	0.0	-50.10	363.66	10.39	-39.71
CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300001715807	1	45	0.0	-43.52	366.78	10.44	-33.08
O=C([O-])CN(CCC(F)(F)F)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001715814	0	52	0.0	-61.63	416.15	12.43	-49.20
O=C([O-])CN(CCC(F)(F)F)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001715814	1	52	0.0	-53.15	413.90	12.32	-40.83
C[NH+](C)CC1=CC=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C=N1	REAL300001715828	0	41	0.0	-62.52	344.55	8.19	-54.33
CCC[NH+](CCC)CCCC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001715835	0	50	0.0	-51.07	391.57	10.57	-40.50
CC(C)C1=[NH+]C=CN1CC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001715844	1	40	0.0	-45.11	339.89	9.25	-35.86
O=C([O-])CN(CCC(F)(F)F)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300001715858	0	46	0.0	-66.23	370.69	10.68	-55.55
O=C([O-])CN(CCC(F)(F)F)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001715863	0	49	0.0	-67.24	387.60	11.40	-55.84
CCN1CCC([NH+]2CCC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])CC2)CC1	REAL300001715868	0	57	0.0	-58.62	423.44	9.08	-49.54
O=C([O-])CN(CCC(F)(F)F)C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001715887	1	50	0.0	-60.07	401.79	11.02	-49.05
O=C([O-])CN(CCC(F)(F)F)C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001715887	1	50	0.0	-55.03	403.36	10.88	-44.15
CC1=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300001715901	1	40	0.0	-74.69	345.01	8.02	-66.67
O=C([O-])CN(CCC(F)(F)F)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001715904	0	49	0.0	-66.78	388.02	11.41	-55.37
O=C([O-])CN(CCC(F)(F)F)C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300001715915	1	42	0.0	-66.99	353.58	8.94	-58.05
C[NH+](C)CCC1=CC=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300001715916	0	45	0.0	-72.16	369.26	10.45	-61.71
CNC1=[NH+]C(C)=CC=C1C(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001715922	1	38	0.0	-43.59	326.42	7.11	-36.48
O=C([O-])CN(CCC(F)(F)F)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001715923	1	47	0.0	-62.19	377.41	10.22	-51.97
O=C([O-])CN(CCC(F)(F)F)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001715923	1	47	0.0	-54.80	372.88	10.04	-44.76
CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])[NH+]1CCSCC1	REAL300001715965	1	40	0.0	-43.13	330.34	8.40	-34.73
C[N@H+](CC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC(C)(C)C	REAL300001715971	0	44	0.0	-44.22	342.08	8.91	-35.31
C[N@@H+](CC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC(C)(C)C	REAL300001715971	1	44	0.0	-44.98	344.02	9.06	-35.92
C[N@H+](CCC1=CC=CC=C1)CC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001715973	0	45	0.0	-49.09	373.38	10.96	-38.13
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001715973	1	45	0.0	-48.83	373.38	10.96	-37.87
COCCOCC[N@H+](C)CCC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001715974	0	49	0.0	-53.39	402.38	7.18	-46.21
COCCOCC[N@@H+](C)CCC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001715974	1	49	0.0	-51.54	402.42	7.19	-44.35
C[N@@H+]1CCCC(O)(CC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300001715977	0	43	0.0	-53.38	341.69	7.00	-46.38
C[N@H+]1CCCC(O)(CC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300001715977	1	43	0.0	-55.45	344.50	6.91	-48.54
CCCCCC[N@H+](C)CC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001715988	0	47	0.0	-42.37	372.82	10.06	-32.31
CCCCCC[N@@H+](C)CC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001715988	1	47	0.0	-46.43	377.96	10.27	-36.16
O=C([O-])CN(CCC(F)(F)F)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300001716002	1	34	0.0	-63.15	298.70	9.61	-53.54
C[N@H+](CC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1CCSC1	REAL300001716017	0	40	0.0	-52.19	333.78	8.75	-43.44
C[N@@H+](CC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1CCSC1	REAL300001716017	1	40	0.0	-51.42	334.99	8.73	-42.69
CC(C)[NH+]1CCN(CCC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300001716030	0	50	0.0	-54.95	389.59	7.72	-47.23
CC(C)N1CC[NH+](CCC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300001716030	1	50	0.0	-50.78	385.91	7.52	-43.26
CC(C)[NH+]1CCN(CCCC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300001716031	0	53	0.0	-59.84	411.09	8.54	-51.30
CC(C)N1CC[NH+](CCCC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300001716031	1	53	0.0	-55.06	407.40	8.32	-46.74
O=C([O-])CN(CCC(F)(F)F)C(=O)C1CCCC2CCC[N@@H+]21	REAL300001716032	0	43	0.0	-39.67	338.41	9.16	-30.51
O=C([O-])CN(CCC(F)(F)F)C(=O)C1CCCC2CCC[N@H+]21	REAL300001716032	1	43	0.0	-46.18	329.81	8.87	-37.31
C[NH+](C)CCN1C=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C=N1	REAL300001716034	0	42	0.0	-69.81	350.70	7.58	-62.23
O=C([O-])CN(CCC(F)(F)F)C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001716038	0	51	0.0	-53.92	407.04	9.90	-44.02
O=C([O-])CN(CCC(F)(F)F)C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300001716040	0	48	0.0	-54.40	379.57	9.92	-44.48
O=C([O-])CN(CCC(F)(F)F)C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300001716040	1	48	0.0	-58.56	377.44	9.96	-48.60
CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300001716045	1	46	0.0	-42.53	367.32	10.81	-31.72
CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300001716045	1	46	0.0	-40.73	370.04	10.79	-29.94
O=C([O-])CN(CCC(F)(F)F)C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001716065	0	49	0.0	-58.47	396.58	11.71	-46.76
O=C([O-])CN(CCC(F)(F)F)C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001716065	1	49	0.0	-54.58	394.49	11.60	-42.98
C[NH+](C)CCN1C=CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=N1	REAL300001716078	0	42	0.0	-63.81	354.78	8.36	-55.45
C[NH+](C)CCN1N=CC=C1C(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001716079	0	42	0.0	-55.03	345.54	7.56	-47.47
CCC1=[NH+]C=CN1C(C)CC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001716080	1	43	0.0	-48.43	360.19	9.77	-38.66
CC[C@@H]1[C@@H](C(=O)N(CCC(F)(F)F)CC(=O)[O-])CC[N@@H+]1C	REAL300001716083	0	42	0.0	-49.88	320.50	7.89	-41.99
CC[C@@H]1[C@@H](C(=O)N(CCC(F)(F)F)CC(=O)[O-])CC[N@H+]1C	REAL300001716083	1	42	0.0	-57.16	332.86	8.37	-48.79
C[N@@H+]1CCCC1C1=CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=NN1	REAL300001716086	1	43	0.0	-65.82	355.66	7.93	-57.89
C[N@H+]1CCCC1C1=CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=NN1	REAL300001716086	1	43	0.0	-68.05	356.31	7.90	-60.15
CC1C[N@H+](C)CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])O1	REAL300001716093	1	40	0.0	-34.85	317.97	7.26	-27.59
CC1C[N@@H+](C)CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])O1	REAL300001716093	1	40	0.0	-45.11	317.94	7.02	-38.09
O=C([O-])CN(CCC(F)(F)F)C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300001716097	0	49	0.0	-54.61	391.08	11.75	-42.86
O=C([O-])CN(CCC(F)(F)F)C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300001716097	1	49	0.0	-56.09	388.92	11.79	-44.30
CC(C[NH+]1CCOCC1)C(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001716102	0	43	0.0	-56.67	341.50	7.05	-49.62
O=C([O-])CN(CCC(F)(F)F)C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300001716103	0	50	0.0	-52.89	404.77	9.32	-43.57
CC1CC[NH+](CC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300001716113	0	42	0.0	-44.40	336.91	9.01	-35.39
CC[N@@H+]1CCOC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300001716126	1	40	0.0	-46.95	322.45	7.37	-39.58
CC[N@H+]1CCOC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300001716126	1	40	0.0	-34.30	314.51	7.18	-27.12
O=C([O-])CN(CCC(F)(F)F)C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300001716158	0	49	0.0	-46.71	368.52	10.09	-36.62
O=C([O-])CN(CCC(F)(F)F)C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300001716158	1	49	0.0	-49.22	368.74	10.08	-39.14
C[N@@H+]1CCCC1CCC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001716164	0	42	0.0	-44.24	336.41	8.84	-35.40
C[N@H+]1CCCC1CCC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001716164	1	42	0.0	-54.35	336.19	8.58	-45.77
O=C([O-])CN(CCC(F)(F)F)C(=O)C1CCC2CCCC[N@@H+]21	REAL300001716176	0	43	0.0	-41.82	338.05	9.31	-32.51
O=C([O-])CN(CCC(F)(F)F)C(=O)C1CCC2CCCC[N@H+]21	REAL300001716176	1	43	0.0	-40.33	333.57	8.95	-31.38
C[NH+]1CCN(CC2=CC=CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=C2)CC1	REAL300001716190	0	51	0.0	-70.40	407.52	9.07	-61.33
C[NH+]1CCN(CC2=CC=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C2)CC1	REAL300001716191	0	51	0.0	-70.49	406.59	8.89	-61.60
CN1CC[NH+](CC2=CC=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C2)CC1	REAL300001716191	1	51	0.0	-66.97	404.84	8.91	-58.06
CC[NH+](CC)CCOC1=CC=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300001716192	0	52	0.0	-68.14	407.83	10.45	-57.69
CC(C)[NH+]1CCC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300001716200	0	45	0.0	-55.73	348.24	9.00	-46.73
O=C([O-])CN(CCC(F)(F)F)C(=O)C12CC[N@H+](C1)CCC2	REAL300001716273	0	40	0.0	-59.86	303.61	7.28	-52.58
O=C([O-])CN(CCC(F)(F)F)C(=O)C12CC[N@@H+](C1)CCC2	REAL300001716273	1	40	0.0	-62.08	304.60	7.35	-54.73
CC1CCC(C)[NH+]1CC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001716313	0	42	0.0	-42.23	331.18	8.42	-33.81
C[NH+](C)CC1=CC=CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300001716314	0	42	0.0	-69.26	346.04	9.55	-59.71
O=C([O-])CN(CCC(F)(F)F)C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001716315	0	49	0.0	-49.50	384.64	11.68	-37.82
O=C([O-])CN(CCC(F)(F)F)C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001716315	1	49	0.0	-60.71	386.00	11.60	-49.11
C#CC[NH+]1CCC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300001716366	0	41	0.0	-57.86	339.89	9.13	-48.73
CC[NH+]1CCN(CCC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300001716368	0	47	0.0	-60.44	371.69	7.07	-53.37
CCN1CC[NH+](CCC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300001716368	1	47	0.0	-50.31	372.85	7.22	-43.09
CC(C)C1=[NH+]C=CN1CCC(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001716375	1	43	0.0	-48.09	359.68	9.71	-38.38
CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])[NH+]1CCCCCC1	REAL300001716406	0	45	0.0	-44.77	339.60	9.08	-35.69
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=C1N2	REAL300001716440	1	47	0.0	-60.95	383.83	10.07	-50.88
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=CC=C1N2	REAL300001716440	1	47	0.0	-75.05	380.51	9.85	-65.20
CC[NH+](CC)CC1=CC=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])O1	REAL300001716482	0	45	0.0	-51.39	369.54	9.75	-41.64
O=C([O-])CN(CCC(F)(F)F)C(=O)CCCC[NH+]1CCCC1	REAL300001716483	0	45	0.0	-57.90	365.57	9.87	-48.03
CC1=CC=C(N2CCC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])CC2)[NH+]=C1	REAL300001716485	1	48	0.0	-56.50	386.60	9.43	-47.07
C[N@H+](CC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1=CC=CC=C1	REAL300001716486	1	42	0.0	-46.71	350.90	10.11	-36.60
C[N@@H+](CC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1=CC=CC=C1	REAL300001716486	1	42	0.0	-43.32	345.81	9.90	-33.42
O=C([O-])CN(CCC(F)(F)F)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300001716505	1	37	0.0	-71.90	327.88	7.60	-64.30
C[NH+](C)CC1=CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=NO1	REAL300001716528	1	38	0.0	-68.38	328.31	7.81	-60.57
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001716532	0	49	0.0	-50.98	394.20	11.63	-39.35
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001716532	1	49	0.0	-61.21	397.02	11.43	-49.78
CC(C)[N@@H+]1CCCC1C(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001716548	0	42	0.0	-47.54	333.61	8.42	-39.12
CC(C)[N@H+]1CCCC1C(=O)N(CCC(F)(F)F)CC(=O)[O-]	REAL300001716548	1	42	0.0	-47.27	318.49	8.47	-38.80
C[NH+](C)CCOC1=CC=C(C=CC(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300001716555	0	50	0.0	-68.08	416.11	11.03	-57.05
C[NH+]1CCC(OCC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300001716569	0	43	0.0	-62.40	354.20	8.68	-53.72
O=C([O-])CN(CCC(F)(F)F)C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001716574	0	46	0.0	-54.79	376.25	10.28	-44.51
CCC[N@@H+]1CCCC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300001716723	0	45	0.0	-49.89	345.17	9.56	-40.33
CCC[N@H+]1CCCC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300001716723	1	45	0.0	-57.74	356.23	9.39	-48.35
O=C([O-])CN(CCC(F)(F)F)C(=O)C[NH+]1CCC(CO)CC1	REAL300001716751	0	43	0.0	-45.74	347.75	5.70	-40.04
CC(C)[N@@H+]1CCCC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300001716934	0	45	0.0	-48.33	349.18	9.06	-39.27
CC(C)[N@H+]1CCCC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300001716934	1	45	0.0	-49.24	339.49	9.08	-40.16
C[N@@H+]1CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C(F)(F)F)C1	REAL300001716935	0	39	0.0	-44.71	334.95	8.12	-36.59
C[N@H+]1CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C(C(F)(F)F)C1	REAL300001716935	1	39	0.0	-64.94	334.36	8.02	-56.92
CC1=C(C)[NH+]=C(CCC(=O)N(CCC(F)(F)F)CC(=O)[O-])N1	REAL300001716957	1	40	0.0	-47.56	344.47	7.84	-39.72
C[NH+](C)CCC1=CC=CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=C1	REAL300001717349	0	45	0.0	-71.46	368.53	10.39	-61.07
C[NH+](C)CCOC1=CC=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C1	REAL300001717357	0	46	0.0	-66.21	376.56	9.40	-56.81
O=C([O-])CN(CCC(F)(F)F)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001717451	0	52	0.0	-56.84	413.95	12.50	-44.34
CC1C[N@H+](CC2=CC=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C2)CCO1	REAL300001717453	1	50	0.0	-68.30	394.13	9.78	-58.52
CC1C[N@@H+](CC2=CC=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C=C2)CCO1	REAL300001717453	1	50	0.0	-68.44	394.17	9.78	-58.66
C[NH+](C)[C@H]1CC[C@@H](C(=O)N(CCC(F)(F)F)CC(=O)[O-])CC1	REAL300001717484	0	45	0.0	-46.63	333.92	8.78	-37.85
CC1=[NH+]C=C2C=CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])=CN12	REAL300001717488	0	37	0.0	-58.77	329.64	9.62	-49.15
CC(C)C[N@@H+]1CCCC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300001717537	0	48	0.0	-57.24	366.09	10.14	-47.10
CC(C)C[N@H+]1CCCC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300001717537	1	48	0.0	-47.84	364.69	10.20	-37.64
CC[N@@H+]1CCCC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300001717538	0	42	0.0	-54.16	332.82	8.61	-45.55
CC[N@H+]1CCCC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])C1	REAL300001717538	1	42	0.0	-47.75	325.76	8.77	-38.98
C[NH+](C)CC1=CC=C(C(=O)N(CCC(F)(F)F)CC(=O)[O-])O1	REAL300001717544	1	39	0.0	-54.28	334.69	8.40	-45.88
O=C([O-])CN(CCC(F)(F)F)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300001717552	0	41	0.0	-49.59	322.06	8.74	-40.85
O=C([O-])CN(CCC(F)(F)F)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300001717552	1	41	0.0	-44.30	320.58	8.80	-35.50
O=C([O-])COC1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C2=CC=CC=C12	REAL300001718949	0	51	0.0	-83.06	391.31	11.03	-72.03
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(OCC(=O)[O-])C4=CC=CC=C34)CN21	REAL300001718972	1	49	0.0	-74.95	390.00	10.92	-64.03
C[NH+](C)CC(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12	REAL300001719023	1	40	0.0	-83.04	321.59	8.18	-74.86
CC(C(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12)N1CC[NH+](C)CC1	REAL300001719024	1	52	0.0	-79.90	394.28	8.02	-71.88
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12	REAL300001719051	0	47	0.0	-77.70	363.66	9.80	-67.90
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12	REAL300001719051	1	47	0.0	-79.51	355.23	9.63	-69.88
C[NH+]1CCC(C(=O)NC2=CC=C(OCC(=O)[O-])C3=CC=CC=C23)CC1	REAL300001719090	0	47	0.0	-85.85	366.92	9.85	-76.00
O=C([O-])COC1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C2=CC=CC=C12	REAL300001719117	0	42	0.0	-81.10	352.71	11.71	-69.39
C[NH+](C)CC1(C(=O)NC2=CC=C(OCC(=O)[O-])C3=CC=CC=C23)CCCCC1	REAL300001719139	0	56	0.0	-84.24	406.83	11.61	-72.63
C[N@H+](CCC(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12)C1CCCCC1	REAL300001719143	0	56	0.0	-84.58	420.00	11.75	-72.83
C[N@@H+](CCC(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12)C1CCCCC1	REAL300001719143	1	56	0.0	-84.53	420.96	11.79	-72.74
C[N@@H+]1CCCC1C(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12	REAL300001719155	0	44	0.0	-78.21	347.98	9.24	-68.97
C[N@H+]1CCCC1C(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12	REAL300001719155	1	44	0.0	-80.81	341.71	8.73	-72.08
C[NH+]1CCC(C(=O)NC2=CC=C(OCC(=O)[O-])C3=CC=CC=C23)CC1	REAL300001719197	0	47	0.0	-85.85	366.92	9.85	-76.00
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12	REAL300001719231	1	48	0.0	-78.24	393.51	11.11	-67.13
O=C([O-])COC1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C2=CC=CC=C12	REAL300001719232	1	54	0.0	-84.91	420.81	9.79	-75.12
C[C@@H](C(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12)[NH+](C)C	REAL300001719236	0	43	0.0	-79.96	340.00	8.63	-71.33
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12	REAL300001719237	0	44	0.0	-80.74	341.90	8.74	-72.00
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12	REAL300001719237	1	44	0.0	-78.29	347.93	9.23	-69.06
C[C@H](C(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12)[NH+](C)C	REAL300001719240	0	43	0.0	-80.40	339.27	8.58	-71.82
CCC(C(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12)[NH+](CC)CC	REAL300001719293	0	52	0.0	-74.73	382.76	10.30	-64.43
CC(C(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12)[N@H+](C)CC1=CC=CC=C1	REAL300001719295	0	53	0.0	-83.50	416.55	12.19	-71.31
CC(C(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12)[N@@H+](C)CC1=CC=CC=C1	REAL300001719295	1	53	0.0	-82.72	416.33	12.22	-70.50
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C3=CC=CC=C23)C=N1	REAL300001719308	0	49	0.0	-85.53	396.46	9.83	-75.70
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12	REAL300001719310	0	58	0.0	-82.39	439.73	12.10	-70.29
C[N@@H+]1CCOC(C(=O)NC2=CC=C(OCC(=O)[O-])C3=CC=CC=C23)C1	REAL300001719311	1	45	0.0	-92.68	359.67	8.57	-84.11
C[N@H+]1CCOC(C(=O)NC2=CC=C(OCC(=O)[O-])C3=CC=CC=C23)C1	REAL300001719311	1	45	0.0	-92.72	359.67	8.57	-84.15
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12	REAL300001719319	1	48	0.0	-76.28	388.30	10.94	-65.34
C[NH+](C)CC1(C(=O)NC2=CC=C(OCC(=O)[O-])C3=CC=CC=C23)CC1	REAL300001719331	0	47	0.0	-79.83	372.87	10.01	-69.82
C[NH+](C)CCCCC(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12	REAL300001719336	0	49	0.0	-83.17	386.95	10.30	-72.87
O=C([O-])COC1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C2=CC=CC=C12	REAL300001719355	1	50	0.0	-83.84	405.93	10.30	-73.54
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C3=CC=CC=C23)C=C1	REAL300001719356	0	53	0.0	-89.72	423.18	12.53	-77.19
CCC[N@H+](C)CC(=O)NC1=CC=C(OCC(=O)[O-])C2=CC=CC=C12	REAL300001719364	0	46	0.0	-82.53	361.77	9.62	-72.91
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CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728059	1	51	0.0	-83.36	399.01	5.42	-77.94
CC1CC[NH+](CC(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)CC1	REAL300001728078	1	50	0.0	-83.44	390.47	7.20	-76.24
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C1	REAL300001728089	1	48	0.0	-89.08	383.38	5.72	-83.36
CC[N@H+]1CCOC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C1	REAL300001728089	1	48	0.0	-89.68	382.76	5.74	-83.94
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C1	REAL300001728123	0	57	0.0	-80.99	433.41	8.63	-72.36
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C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728128	0	50	0.0	-83.68	391.47	7.05	-76.63
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728128	1	50	0.0	-79.39	389.27	6.74	-72.65
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C23CCC[NH+](CCC2)C3)C=C1	REAL300001728140	0	51	0.0	-80.54	385.44	6.90	-73.64
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C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728142	1	48	0.0	-86.22	374.37	2.84	-83.38
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=C1	REAL300001728143	0	51	0.0	-76.30	395.62	7.65	-68.65
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C=C1	REAL300001728143	1	51	0.0	-78.47	389.35	7.23	-71.24
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728150	0	54	0.0	-80.92	408.62	5.78	-75.14
CC[NH+](CC)CC(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728165	0	46	0.0	-81.87	363.73	6.04	-75.83
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)CC1	REAL300001728167	0	53	0.0	-81.88	402.92	7.31	-74.57
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C23CC[NH+](CC2)C3)C=C1	REAL300001728246	0	45	0.0	-82.82	359.40	5.26	-77.56
CCC(C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1)[NH+](C)C	REAL300001728249	0	46	0.0	-80.40	361.98	6.15	-74.25
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C23CC[N@H+](C2)CCC3)C=C1	REAL300001728257	0	48	0.0	-81.42	370.25	5.94	-75.48
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C23CC[N@@H+](C2)CCC3)C=C1	REAL300001728257	1	48	0.0	-87.71	368.42	6.05	-81.66
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728301	0	50	0.0	-78.18	384.53	6.59	-71.59
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300001728302	0	50	0.0	-83.42	405.75	8.21	-75.21
C[NH+](C)C1(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)CCC1	REAL300001728337	0	47	0.0	-84.74	358.76	6.19	-78.55
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)CC1	REAL300001728360	0	49	0.0	-85.35	396.93	7.51	-77.84
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728362	0	53	0.0	-77.53	408.77	7.73	-69.80
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728362	1	53	0.0	-78.66	399.37	7.53	-71.13
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728363	0	50	0.0	-71.97	398.79	8.42	-63.55
CC[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)CC1	REAL300001728365	0	55	0.0	-81.36	425.35	5.22	-76.14
CCN1CC[NH+](CCC(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)CC1	REAL300001728365	1	55	0.0	-84.14	426.51	5.37	-78.77
CC(C)[N@H+](C)CC(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728366	0	46	0.0	-80.03	362.32	5.92	-74.11
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728366	1	46	0.0	-80.00	362.32	5.91	-74.09
CC(C)C(C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1)[NH+]1CCCCC1	REAL300001728367	0	56	0.0	-76.71	413.48	8.48	-68.23
C[NH+](C)C(C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001728368	1	50	0.0	-79.53	402.63	8.20	-71.33
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728375	1	51	0.0	-75.39	413.34	7.87	-67.52
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1	REAL300001728381	0	54	0.0	-80.95	404.11	7.82	-73.13
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1	REAL300001728381	1	54	0.0	-78.47	412.95	8.13	-70.34
CC[N@H+](CC(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1)C1CC1	REAL300001728383	0	47	0.0	-79.82	374.15	6.69	-73.13
CC[N@@H+](CC(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1)C1CC1	REAL300001728383	1	47	0.0	-79.67	373.92	6.67	-73.00
CC(C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1)[NH+]1CCCCCC1	REAL300001728407	0	53	0.0	-78.80	398.73	7.48	-71.32
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728410	1	44	0.0	-77.73	353.64	5.65	-72.08
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728410	1	44	0.0	-80.06	347.74	5.28	-74.78
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728478	0	46	0.0	-82.60	366.85	4.43	-78.17
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)O1	REAL300001728480	0	53	0.0	-86.18	427.43	7.89	-78.29
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C=C1	REAL300001728481	0	53	0.0	-80.72	419.23	8.03	-72.69
C[N@H+](CC(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300001728483	1	50	0.0	-87.76	404.56	8.31	-79.45
C[N@@H+](CC(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300001728483	1	50	0.0	-87.80	404.56	8.31	-79.49
CC(C)[C@@H](C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1)[NH+](C)C	REAL300001728493	0	49	0.0	-78.28	374.01	6.57	-71.71
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=NO1	REAL300001728536	1	46	0.0	-87.31	385.69	5.71	-81.60
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728549	0	50	0.0	-76.17	386.23	6.74	-69.43
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728549	1	50	0.0	-81.04	379.78	6.70	-74.34
C[NH+]1CCC(OCC(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)CC1	REAL300001728568	0	51	0.0	-87.74	407.84	6.72	-81.02
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1	REAL300001728572	0	54	0.0	-88.08	433.72	8.41	-79.67
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C1	REAL300001728726	0	53	0.0	-80.50	411.42	7.73	-72.77
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C1	REAL300001728726	1	53	0.0	-76.34	405.29	7.95	-68.39
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728753	0	53	0.0	-78.12	411.77	7.85	-70.27
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)NCCC(=O)[O-])C=C1	REAL300001728753	1	53	0.0	-81.28	406.62	7.39	-73.89
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1	REAL300001728754	1	51	0.0	-85.86	401.51	3.89	-81.97
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C1	REAL300001728951	0	53	0.0	-75.47	400.32	7.69	-67.78
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C1	REAL300001728951	1	53	0.0	-74.36	400.31	7.69	-66.67
C[N@@H+]1CC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300001728952	0	47	0.0	-93.47	391.81	6.44	-87.03
C[N@H+]1CC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300001728952	1	47	0.0	-88.66	385.31	6.22	-82.44
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)N1	REAL300001728976	1	48	0.0	-76.41	398.14	6.00	-70.41
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)=C1	REAL300001729395	0	53	0.0	-83.96	428.23	9.04	-74.92
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300001729401	0	54	0.0	-85.87	435.53	8.01	-77.86
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C1	REAL300001729527	0	47	0.0	-81.13	377.47	6.45	-74.68
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)CC1	REAL300001729531	0	53	0.0	-75.28	400.11	7.41	-67.87
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(C(=O)NCCC(=O)[O-])C=C3)=CN21	REAL300001729534	0	45	0.0	-76.96	379.49	7.99	-68.97
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C1	REAL300001729591	0	56	0.0	-76.32	419.67	8.59	-67.73
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C1	REAL300001729591	1	56	0.0	-81.30	428.58	8.41	-72.89
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C1	REAL300001729592	0	50	0.0	-75.46	384.16	7.18	-68.28
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C1	REAL300001729592	1	50	0.0	-75.92	383.79	7.21	-68.71
C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C1	REAL300001729597	0	47	0.0	-82.96	372.42	6.34	-76.62
C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C1	REAL300001729597	1	47	0.0	-74.94	366.12	6.56	-68.38
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)O1	REAL300001729599	1	47	0.0	-89.14	392.15	6.54	-82.60
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C1	REAL300001729605	0	56	0.0	-83.25	417.92	7.80	-75.45
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)NCCC(=O)[O-])C=C2)C1	REAL300001729605	1	56	0.0	-81.54	417.66	7.82	-73.72
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C23CC(C2)CN3C2CC2)C=C1	REAL300001729608	0	49	0.0	-79.94	391.58	7.29	-72.65
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300001729608	1	49	0.0	-79.39	378.52	7.34	-72.05
O=C([O-])CCNC(=O)C1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300001729608	1	49	0.0	-79.94	391.58	7.29	-72.65
O=C([O-])C1=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1F	REAL300001730933	0	47	0.0	-95.14	374.55	10.75	-84.39
O=C([O-])C1=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=CC=C1F	REAL300001731703	0	44	0.0	-81.46	351.64	9.64	-71.82
O=C([O-])C1=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=CC=C1F	REAL300001731703	1	44	0.0	-81.39	351.63	9.63	-71.76
O=C([O-])C1=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=CC=C1F	REAL300001732627	0	41	0.0	-88.00	327.58	8.58	-79.42
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)CN12	REAL300001732655	1	39	0.0	-78.90	321.82	8.26	-70.64
O=C([O-])C1=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=CC=C1F	REAL300001732656	0	47	0.0	-77.12	378.15	10.69	-66.43
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)CC2)=CS1	REAL300001732732	1	46	0.0	-93.67	382.45	8.50	-85.17
CC(C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300001732733	1	42	0.0	-83.42	326.91	5.36	-78.06
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300001732817	0	50	0.0	-92.05	407.73	10.27	-81.78
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300001732829	0	50	0.0	-82.85	408.81	12.58	-70.27
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300001732829	1	50	0.0	-82.35	408.81	12.60	-69.75
CC1(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300001732831	0	50	0.0	-77.24	387.75	11.13	-66.11
C[NH+](C)CC1(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)CCCCC1	REAL300001732916	0	46	0.0	-79.81	336.67	9.10	-70.71
C[N@H+](CCC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)C1CCCCC1	REAL300001732920	0	46	0.0	-86.18	352.38	9.11	-77.07
C[N@@H+](CCC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)C1CCCCC1	REAL300001732920	1	46	0.0	-87.00	352.08	9.13	-77.87
O=C([O-])C1=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)=CC=C1F	REAL300001732944	1	44	0.0	-85.10	357.90	9.71	-75.39
O=C([O-])C1=CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=CC=C1F	REAL300001732944	1	44	0.0	-84.61	358.09	9.72	-74.89
O=C([O-])C1=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=CC=C1F	REAL300001733001	0	40	0.0	-78.40	342.39	8.14	-70.26
C[NH+](C)CCN1N=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1C1=CC=CC=C1	REAL300001733006	0	50	0.0	-93.57	406.95	10.29	-83.28
O=C([O-])C1=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=CC=C1F	REAL300001733031	0	47	0.0	-77.65	351.81	9.32	-68.33
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CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300001733813	1	41	0.0	-78.01	339.37	8.67	-69.34
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CC(C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)[NH+]1CCCCCC1	REAL300001733849	0	43	0.0	-78.24	319.31	8.22	-70.02
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)=CC=C1N2	REAL300001733885	1	45	0.0	-82.85	366.89	9.43	-73.42
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)=CC=C1N2	REAL300001733885	1	45	0.0	-91.96	366.84	9.42	-82.54
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300001733943	0	43	0.0	-91.33	353.24	8.70	-82.63
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CC1=CC=C(N2CCC(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)CC2)[NH+]=C1	REAL300001733946	1	46	0.0	-86.76	367.50	8.60	-78.16
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C[NH+](C)CC1=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=NO1	REAL300001733994	1	36	0.0	-83.99	312.02	6.49	-77.50
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CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)[C@@H](C(F)(F)F)C1	REAL300001734088	1	46	0.0	-87.39	366.77	8.82	-78.57
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300001734232	0	43	0.0	-75.33	331.37	8.75	-66.58
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300001734232	1	43	0.0	-82.93	337.98	8.52	-74.41
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300001734264	0	43	0.0	-80.64	332.66	8.17	-72.47
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300001734264	1	43	0.0	-78.83	337.94	8.62	-70.21
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CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300001734488	0	43	0.0	-75.15	326.51	8.53	-66.62
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300001734488	1	43	0.0	-74.76	326.37	8.48	-66.28
C[N@@H+]1CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300001734489	0	37	0.0	-89.10	317.89	7.25	-81.85
C[N@H+]1CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300001734489	1	37	0.0	-84.39	310.40	7.17	-77.22
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)N1	REAL300001734515	1	38	0.0	-79.57	323.89	6.81	-72.76
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300001734989	0	43	0.0	-87.90	354.30	9.85	-78.05
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300001734995	0	44	0.0	-80.27	361.57	8.80	-71.47
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C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300001735206	0	46	0.0	-86.75	343.98	8.63	-78.12
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300001735206	1	46	0.0	-86.75	343.98	8.63	-78.12
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O=C([O-])C1=CC=CC(C#CC2=CC=CC(NC(=O)C3CCC[N@H+]3C3CC3)=C2)=C1	REAL300001736229	1	50	0.0	-85.62	410.71	12.69	-72.93
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=CC(C#CC4=CC=CC(C(=O)[O-])=C4)=C3)CN12	REAL300001736233	1	51	0.0	-75.36	425.72	13.38	-61.98
C[NH+](C)CC(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001736273	1	42	0.0	-84.41	358.25	10.67	-73.74
C[N@@H+]1CCCCC1C(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001736274	1	49	0.0	-81.07	400.13	12.27	-68.80
C[N@H+]1CCCCC1C(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001736274	1	49	0.0	-80.42	390.97	12.06	-68.36
CC(C(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1)N1CC[NH+](C)CC1	REAL300001736275	1	54	0.0	-80.99	429.26	10.45	-70.54
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001736303	1	49	0.0	-78.03	400.23	12.27	-65.76
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001736303	1	49	0.0	-77.27	390.99	12.06	-65.21
C[NH+]1CCC(C(=O)NC2=CC=CC(C#CC3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300001736334	0	49	0.0	-85.13	402.64	12.32	-72.81
O=C([O-])C1=CC=CC(C#CC2=CC=CC(NC(=O)C3=CN4C=[NH+]C=C4C=C3)=C2)=C1	REAL300001736356	0	44	0.0	-84.04	388.70	14.16	-69.88
C[N@@H+]1CCCC1C(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001736384	0	46	0.0	-78.86	384.08	11.61	-67.25
C[N@H+]1CCCC1C(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001736384	1	46	0.0	-75.61	384.60	11.72	-63.89
C[NH+]1CCC(C(=O)NC2=CC=CC(C#CC3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300001736419	0	49	0.0	-85.13	402.64	12.32	-72.81
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001736444	1	50	0.0	-79.78	429.22	13.58	-66.20
C[C@@H](C(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1)[NH+](C)C	REAL300001736449	0	45	0.0	-82.96	376.73	11.07	-71.89
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001736450	0	46	0.0	-81.95	378.55	11.22	-70.73
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001736450	1	46	0.0	-76.45	383.07	11.70	-64.75
C[C@H](C(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1)[NH+](C)C	REAL300001736454	0	45	0.0	-81.90	375.59	11.13	-70.77
C[NH+](C)C1(C(=O)NC2=CC=CC(C#CC3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300001736462	1	46	0.0	-76.83	382.57	11.50	-65.33
CCC(C(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1)[NH+](CC)CC	REAL300001736516	0	54	0.0	-75.92	423.05	13.08	-62.84
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(C#CC3=CC=CC(C(=O)[O-])=C3)=C2)C=N1	REAL300001736527	0	51	0.0	-87.24	432.45	12.28	-74.96
C[N@@H+]1CCOC(C(=O)NC2=CC=CC(C#CC3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300001736530	1	47	0.0	-89.41	388.49	10.85	-78.56
C[N@H+]1CCOC(C(=O)NC2=CC=CC(C#CC3=CC=CC(C(=O)[O-])=C3)=C2)C1	REAL300001736530	1	47	0.0	-96.14	396.25	11.03	-85.11
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001736536	1	50	0.0	-77.87	423.93	13.40	-64.47
C[NH+](C)CC1(C(=O)NC2=CC=CC(C#CC3=CC=CC(C(=O)[O-])=C3)=C2)CC1	REAL300001736544	0	49	0.0	-86.58	404.27	12.50	-74.08
C[NH+](C)CCCCC(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001736549	0	51	0.0	-85.38	423.61	12.80	-72.58
CC(C)C(C(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1)[NH+](C)C	REAL300001736559	0	51	0.0	-76.21	403.75	12.20	-64.01
CCC[N@H+](C)CC(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001736579	0	48	0.0	-82.51	397.50	12.08	-70.43
CCC[N@@H+](C)CC(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001736579	1	48	0.0	-77.39	397.48	12.10	-65.29
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CC[C@@H](C(=O)NC1=CC=CC(C#CC2=CC=CC(C(=O)[O-])=C2)=C1)[NH+](C)C	REAL300001736610	0	48	0.0	-74.38	388.38	11.67	-62.71
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CC[NH+]1CCN(CCC(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)CC1	REAL300001741709	0	45	0.0	-83.70	359.06	6.40	-77.30
CCN1CC[NH+](CCC(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)CC1	REAL300001741709	1	45	0.0	-80.24	360.01	6.49	-73.75
CC(C)C(C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1)[NH+]1CCCCC1	REAL300001741711	0	46	0.0	-66.13	353.96	9.73	-56.40
C[NH+](C)C(C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300001741712	1	40	0.0	-75.30	336.31	9.38	-65.92
O=C([O-])C1=CC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1Cl	REAL300001741716	0	45	0.0	-74.94	375.68	7.34	-67.60
O=C([O-])C1=CC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1Cl	REAL300001741716	1	45	0.0	-70.45	374.76	7.30	-63.15
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300001741722	1	41	0.0	-73.33	347.32	9.02	-64.31
C[NH+](C)CC1=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)OC2=CC=CC=C21	REAL300001741723	0	43	0.0	-65.03	361.16	9.70	-55.33
O=C([O-])C1=CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=CC=C1Cl	REAL300001741729	0	44	0.0	-80.71	338.32	8.98	-71.73
O=C([O-])C1=CC(NC(=O)C2CCC[N@H+]2C2CCCC2)=CC=C1Cl	REAL300001741729	1	44	0.0	-76.77	347.00	9.27	-67.50
CC(C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1)[NH+]1CCCCCC1	REAL300001741760	0	43	0.0	-73.19	327.27	8.58	-64.61
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C1N2	REAL300001741798	1	45	0.0	-87.56	374.78	9.78	-77.78
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=CC=C1N2	REAL300001741798	1	45	0.0	-87.76	374.79	9.78	-77.98
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300001741853	0	43	0.0	-86.02	361.34	9.04	-76.98
O=C([O-])C1=CC(NC(=O)CCCC[NH+]2CCCC2)=CC=C1Cl	REAL300001741854	0	43	0.0	-81.44	353.24	9.19	-72.25
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)CC2)[NH+]=C1	REAL300001741856	1	46	0.0	-82.20	375.45	8.95	-73.25
C[N@H+](CC(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300001741857	1	40	0.0	-81.50	338.56	9.47	-72.03
C[N@@H+](CC(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300001741857	1	40	0.0	-81.76	338.57	9.47	-72.29
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=NO1	REAL300001741910	1	36	0.0	-84.56	319.97	6.84	-77.72
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300001741914	0	47	0.0	-82.48	382.97	10.84	-71.64
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300001741914	1	47	0.0	-83.27	382.50	10.97	-72.30
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300001741931	0	40	0.0	-77.92	313.93	7.93	-69.99
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300001741931	1	40	0.0	-78.10	313.81	7.87	-70.23
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300001741938	0	48	0.0	-77.41	404.37	10.33	-67.08
C[NH+]1CCC(OCC(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)CC1	REAL300001741958	0	41	0.0	-89.14	341.57	7.89	-81.25
O=C([O-])C1=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=CC=C1Cl	REAL300001741963	0	44	0.0	-88.01	368.05	9.56	-78.45
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)[C@@H](C(F)(F)F)C1	REAL300001742008	0	46	0.0	-81.43	375.96	9.07	-72.36
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)[C@@H](C(F)(F)F)C1	REAL300001742008	1	46	0.0	-82.35	374.72	9.19	-73.16
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300001742161	0	43	0.0	-70.48	339.33	9.11	-61.37
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300001742161	1	43	0.0	-78.27	345.93	8.88	-69.39
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300001742194	0	43	0.0	-77.21	340.83	8.53	-68.68
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300001742194	1	43	0.0	-73.90	345.90	8.98	-64.92
O=C([O-])C1=CC(NC(=O)C[NH+]2CCC(CO)CC2)=CC=C1Cl	REAL300001742195	1	41	0.0	-79.12	335.52	5.06	-74.06
O=C([O-])C1=CC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=CC=C1Cl	REAL300001742297	0	48	0.0	-86.79	390.57	11.33	-75.46
O=C([O-])C1=CC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=CC=C1Cl	REAL300001742297	1	48	0.0	-91.45	391.48	11.39	-80.06
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300001742433	0	43	0.0	-70.35	334.47	8.89	-61.46
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300001742433	1	43	0.0	-69.97	334.32	8.85	-61.12
C[N@@H+]1CC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300001742434	0	37	0.0	-84.19	325.84	7.61	-76.58
C[N@H+]1CC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300001742434	1	37	0.0	-79.80	318.36	7.52	-72.28
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)N1	REAL300001742458	1	38	0.0	-74.84	331.85	7.17	-67.67
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300001742958	0	43	0.0	-83.77	362.26	10.20	-73.57
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300001742966	0	44	0.0	-76.56	369.52	9.17	-67.39
O=C([O-])C1=CC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1Cl	REAL300001743068	0	50	0.0	-77.88	401.32	11.82	-66.06
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2)CCO1	REAL300001743070	1	48	0.0	-93.56	387.42	9.52	-84.04
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)C=C2)CCO1	REAL300001743070	1	48	0.0	-93.67	387.42	9.52	-84.15
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)CC1	REAL300001743116	0	43	0.0	-77.26	333.98	8.56	-68.70
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300001743184	0	46	0.0	-71.61	356.76	9.79	-61.82
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300001743184	1	46	0.0	-71.61	356.76	9.79	-61.82
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300001743185	0	40	0.0	-70.14	317.83	8.38	-61.76
CC[N@H+]1CCCC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300001743185	1	40	0.0	-70.14	317.83	8.38	-61.76
CN(C)CC1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300001743191	0	37	0.0	-89.00	326.48	7.69	-81.31
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300001743191	1	37	0.0	-89.00	326.48	7.69	-81.31
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300001743197	0	46	0.0	-82.24	351.93	8.98	-73.26
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C1	REAL300001743197	1	46	0.0	-82.24	351.93	8.98	-73.26
O=C([O-])C1=CC(NC(=O)C23CC(C2)CN3C2CC2)=CC=C1Cl	REAL300001743200	0	39	0.0	-77.55	320.26	8.58	-68.97
O=C([O-])C1=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=CC=C1Cl	REAL300001743200	1	39	0.0	-82.99	318.51	8.87	-74.12
O=C([O-])C1=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=CC=C1Cl	REAL300001743200	1	39	0.0	-82.99	318.51	8.87	-74.12
O=C([O-])C1=CC=CC(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300001744529	0	50	0.0	-79.30	396.29	10.83	-68.47
O=C([O-])C1=CC=CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300001745302	0	47	0.0	-69.32	373.05	9.72	-59.60
O=C([O-])C1=CC=CC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300001745302	1	47	0.0	-67.87	379.09	10.25	-57.62
O=C([O-])C1=CC=CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)=C1	REAL300001746137	1	47	0.0	-72.76	389.78	10.24	-62.52
O=C([O-])C1=CC=CC(CNC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)=C1	REAL300001746137	1	47	0.0	-72.68	389.74	10.23	-62.45
O=C([O-])C1=CC=CC(CNC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300001746210	0	44	0.0	-73.86	344.65	8.46	-65.40
CC1=[NH+]C=C2CCC(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)CN21	REAL300001746235	1	42	0.0	-66.82	342.82	8.35	-58.47
O=C([O-])C1=CC=CC(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=C1	REAL300001746236	0	50	0.0	-71.75	398.95	10.78	-60.97
CC1=NC(C[NH+]2CCC(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)CC2)=CS1	REAL300001746308	1	49	0.0	-76.22	403.74	8.59	-67.63
CC(C(=O)NCC1=CC=CC(C(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300001746309	1	45	0.0	-73.65	348.46	5.43	-68.22
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300001746392	0	53	0.0	-78.15	429.27	10.36	-67.79
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001746406	0	53	0.0	-81.15	430.07	12.67	-68.48
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001746406	1	53	0.0	-80.58	430.01	12.67	-67.91
CC1(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300001746407	0	53	0.0	-65.32	408.93	11.25	-54.07
C[NH+](C)CC1(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CCCCC1	REAL300001746491	0	49	0.0	-63.08	363.69	8.97	-54.11
C[N@H+](CCC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300001746494	0	49	0.0	-73.38	373.61	9.19	-64.19
C[N@@H+](CCC(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300001746494	1	49	0.0	-72.86	373.61	9.19	-63.67
O=C([O-])C1=CC=CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)=C1	REAL300001746519	1	50	0.0	-68.80	400.28	10.81	-57.99
O=C([O-])C1=CC=CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)=C1	REAL300001746519	1	50	0.0	-73.41	400.24	10.80	-62.61
O=C([O-])C1=CC=CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)=C1	REAL300001746520	1	47	0.0	-73.70	379.46	9.78	-63.92
O=C([O-])C1=CC=CC(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=C1	REAL300001746520	1	47	0.0	-73.54	379.42	9.77	-63.77
O=C([O-])C1=CC=CC(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C1	REAL300001746581	0	43	0.0	-78.07	364.36	8.22	-69.85
C[NH+](C)CCN1N=CC(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1C1=CC=CC=C1	REAL300001746586	0	53	0.0	-81.50	428.47	10.34	-71.16
O=C([O-])C1=CC=CC(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)=C1	REAL300001746611	0	50	0.0	-65.98	373.16	9.40	-56.58
O=C([O-])C1=CC=CC(CNC(=O)C2CCCC[N@H+]2C2CCCC2)=C1	REAL300001746611	1	50	0.0	-66.23	367.87	9.54	-56.69
O=C([O-])C1=CC=CC(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)=C1	REAL300001746612	0	51	0.0	-76.08	386.92	7.87	-68.21
CC1=[NH+]C=CN1CCCC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300001746642	1	41	0.0	-69.99	346.18	8.51	-61.48
O=C([O-])C1=CC(CNC(=O)CCCC[NH+]2CCOCC2)=CC=C1	REAL300001746643	1	47	0.0	-77.13	373.47	7.20	-69.93
CC[N@H+](CC1=CC=C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300001746645	0	52	0.0	-75.00	398.34	10.53	-64.47
CC[N@@H+](CC1=CC=C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300001746645	1	52	0.0	-75.23	392.71	10.27	-64.96
O=C([O-])C1=CC=CC(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300001746670	0	47	0.0	-74.33	380.29	10.09	-64.24
O=C([O-])C1=CC=CC(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300001746670	1	47	0.0	-74.24	380.21	10.10	-64.14
O=C([O-])C1=CC=CC(CNC(=O)C2CC[NH+](C3CCSC3)CC2)=C1	REAL300001746671	0	48	0.0	-81.56	375.03	9.23	-72.33
C[NH+]1CCN(C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C2)CC1	REAL300001746699	1	52	0.0	-70.55	408.61	8.89	-61.66
O=C([O-])C1=CC(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)=CC=C1	REAL300001746700	0	51	0.0	-71.77	372.52	7.49	-64.28
CC(C(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001746703	0	46	0.0	-68.44	370.35	9.59	-58.85
CC(C(=O)NCC1=CC=CC(C(=O)[O-])=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001746703	1	46	0.0	-71.23	370.09	9.61	-61.62
O=C([O-])C1=CC=CC(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=C1	REAL300001746714	0	53	0.0	-71.22	412.60	11.85	-59.37
O=C([O-])C1=CC=CC(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=C1	REAL300001746714	1	53	0.0	-76.59	418.87	11.65	-64.94
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300001746744	0	42	0.0	-76.81	349.16	7.23	-69.58
CCC[NH+](CCC)CCCC(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300001746755	0	51	0.0	-73.87	393.29	9.53	-64.34
O=C([O-])C1=CC=CC(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)=C1	REAL300001746756	1	51	0.0	-65.92	403.30	7.54	-58.38
CC[N@H+](C)C(C(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300001746757	0	46	0.0	-70.63	362.60	9.53	-61.10
CC[N@@H+](C)C(C(=O)NCC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300001746757	1	46	0.0	-65.40	362.73	9.59	-55.81
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CC1=CC=C(N2CCC(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)CC2)[NH+]=C1	REAL300001747477	1	49	0.0	-70.90	389.24	8.66	-62.24
C[N@H+](CC(=O)NCC1=CC=CC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300001747478	1	43	0.0	-73.88	351.86	9.19	-64.69
C[N@@H+](CC(=O)NCC1=CC=CC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300001747478	1	43	0.0	-74.17	351.87	9.19	-64.98
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)CC1	REAL300001747481	0	55	0.0	-79.23	421.38	9.45	-69.78
O=C([O-])C1=CC=CC(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)=C1	REAL300001747494	1	38	0.0	-81.02	334.51	7.04	-73.98
C[NH+](C)CC1=CC(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=NO1	REAL300001747523	1	39	0.0	-81.30	333.31	6.57	-74.73
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300001747529	0	50	0.0	-76.60	399.91	10.58	-66.02
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300001747529	1	50	0.0	-79.04	399.84	10.65	-68.39
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300001747548	0	51	0.0	-79.50	417.70	10.06	-69.44
C[NH+]1CCC(OCC(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300001747564	0	44	0.0	-78.40	355.16	7.69	-70.71
O=C([O-])C1=CC=CC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=C1	REAL300001747568	0	47	0.0	-74.80	380.29	9.18	-65.62
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2=CC=CC(C(=O)[O-])=C2)[C@@H](C(F)(F)F)C1	REAL300001747607	0	49	0.0	-69.43	389.08	8.76	-60.67
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2=CC=CC(C(=O)[O-])=C2)[C@@H](C(F)(F)F)C1	REAL300001747607	1	49	0.0	-75.06	388.45	8.87	-66.19
CCC[N@@H+]1CCCC(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300001747747	0	46	0.0	-71.76	358.95	8.61	-63.15
CCC[N@H+]1CCCC(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300001747747	1	46	0.0	-71.74	358.95	8.61	-63.13
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300001747778	0	46	0.0	-67.26	360.15	8.78	-58.48
CC(C)C[N@H+]1CCCC1C(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300001747778	1	46	0.0	-66.85	359.92	8.79	-58.06
O=C([O-])C1=CC(CNC(=O)C[NH+]2CCC(CO)CC2)=CC=C1	REAL300001747781	0	44	0.0	-71.99	349.00	4.78	-67.21
O=C([O-])C1=CC=CC(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=C1	REAL300001747873	0	51	0.0	-78.30	404.11	11.09	-67.21
O=C([O-])C1=CC=CC(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=C1	REAL300001747873	1	51	0.0	-79.31	404.78	11.11	-68.20
O=C([O-])C1=CC=CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)=C1	REAL300001747910	1	50	0.0	-74.27	390.87	10.66	-63.61
O=C([O-])C1=CC=CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)=C1	REAL300001747910	1	50	0.0	-68.89	390.80	10.66	-58.23
CC(C)[N@@H+]1CCCC(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300001747995	0	46	0.0	-64.26	347.85	8.59	-55.67
CC(C)[N@H+]1CCCC(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300001747995	1	46	0.0	-64.22	347.83	8.59	-55.63
C[N@@H+]1CC(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300001747996	0	40	0.0	-83.26	339.15	7.35	-75.91
C[N@H+]1CC(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300001747996	1	40	0.0	-70.94	332.62	7.12	-63.82
CC1=C(C)[NH+]=C(CCC(=O)NCC2=CC=CC(C(=O)[O-])=C2)N1	REAL300001748022	1	41	0.0	-67.33	345.44	6.89	-60.44
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300001748471	0	46	0.0	-78.04	375.85	9.93	-68.11
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300001748477	0	47	0.0	-78.28	383.15	8.88	-69.40
O=C([O-])C1=CC(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1	REAL300001748566	0	53	0.0	-72.71	414.91	11.54	-61.17
CC1C[N@H+](CC2=CC=C(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)CCO1	REAL300001748568	1	51	0.0	-81.93	400.71	9.26	-72.67
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)CCO1	REAL300001748568	1	51	0.0	-82.07	400.77	9.26	-72.81
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300001748606	0	46	0.0	-74.29	347.51	8.29	-66.00
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300001748668	0	49	0.0	-70.52	376.36	9.31	-61.21
CC(C)C[N@H+]1CCCC(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300001748668	1	49	0.0	-70.52	376.36	9.31	-61.21
CN(C)CC1=CC=C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)O1	REAL300001748673	0	40	0.0	-75.52	338.70	7.31	-68.21
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=CC(C(=O)[O-])=C2)O1	REAL300001748673	1	40	0.0	-75.52	338.70	7.31	-68.21
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300001748678	0	49	0.0	-75.77	365.21	8.72	-67.05
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=CC(C(=O)[O-])=C2)C1	REAL300001748678	1	49	0.0	-75.77	365.21	8.72	-67.05
O=C([O-])C1=CC=CC(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300001748681	0	42	0.0	-65.59	333.07	9.02	-56.57
CCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001749670	0	46	0.0	-74.24	357.24	9.06	-65.18
CCC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300001750823	0	46	0.0	-63.52	359.34	9.09	-54.43
CCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300001750855	1	45	0.0	-73.89	364.96	6.87	-67.02
CCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001750887	0	49	0.0	-77.44	390.26	8.69	-68.75
CCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001750892	0	49	0.0	-77.87	391.05	11.02	-66.85
CCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001750892	1	49	0.0	-77.42	391.29	10.97	-66.45
CCC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001750893	0	49	0.0	-56.05	370.17	9.52	-46.53
CCC(NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001750919	0	46	0.0	-55.13	370.88	9.26	-45.87
CCC(NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001750919	1	46	0.0	-65.15	372.31	9.45	-55.70
CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001750947	1	46	0.0	-61.85	348.67	8.89	-52.96
CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001750947	1	46	0.0	-62.34	360.63	9.12	-53.22
CCC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001750948	1	43	0.0	-53.24	339.72	8.12	-45.12
CCC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001750948	1	43	0.0	-61.74	348.17	8.66	-53.08
CCC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300001750987	0	49	0.0	-79.70	389.47	8.71	-70.99
CCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300001751013	0	48	0.0	-79.28	353.88	8.77	-70.51
CCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300001751013	1	48	0.0	-76.54	362.29	9.02	-67.52
CCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300001751027	0	44	0.0	-72.23	336.00	7.58	-64.65
CCC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300001751044	1	48	0.0	-68.80	369.60	7.25	-61.55
CCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001751050	0	49	0.0	-57.47	373.81	10.14	-47.33
CCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001751050	1	49	0.0	-68.80	380.06	9.93	-58.87
CCC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300001751079	1	47	0.0	-59.74	364.33	5.83	-53.91
CCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300001751092	0	46	0.0	-73.40	355.31	9.26	-64.14
CCC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300001751097	0	54	0.0	-69.71	391.05	6.89	-62.82
CCC(NC(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300001751099	0	56	0.0	-68.86	439.71	12.49	-56.37
CCC(NC(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300001751099	1	56	0.0	-76.72	440.28	12.57	-64.15
CCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300001751103	1	50	0.0	-84.44	389.41	8.27	-76.17
CCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001751113	1	47	0.0	-78.81	363.98	8.35	-70.46
CCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001751113	1	47	0.0	-78.37	370.76	8.42	-69.95
CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001751126	0	46	0.0	-58.24	342.30	8.84	-49.40
CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001751126	1	46	0.0	-53.46	344.79	8.91	-44.55
CCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300001751129	0	46	0.0	-80.36	355.00	9.22	-71.14
CCC(NC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001751136	0	56	0.0	-66.95	430.04	12.10	-54.85
CCC(NC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001751136	1	56	0.0	-72.41	426.32	11.89	-60.52
CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001751139	1	44	0.0	-72.96	343.39	7.75	-65.21
CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001751139	1	44	0.0	-68.50	350.59	7.91	-60.59
CCC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300001751140	0	53	0.0	-61.48	396.08	10.78	-50.70
CCC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300001751140	1	53	0.0	-65.07	400.61	10.71	-54.36
CCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001751147	0	52	0.0	-55.90	389.04	10.30	-45.60
CCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001751166	0	51	0.0	-71.92	389.89	8.06	-63.86
CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300001751183	0	51	0.0	-69.09	390.63	7.89	-61.20
CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001751184	0	48	0.0	-68.91	369.23	7.22	-61.69
CCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001751186	0	45	0.0	-68.74	352.48	7.31	-61.43
CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001751186	1	45	0.0	-64.81	343.89	7.50	-57.31
CCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001751208	0	46	0.0	-71.71	360.62	9.16	-62.55
CCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001751208	1	46	0.0	-71.91	359.13	9.12	-62.79
CCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001751221	0	46	0.0	-67.22	357.71	9.34	-57.88
CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001751221	1	46	0.0	-61.04	357.43	9.41	-51.63
CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001751223	0	47	0.0	-67.39	366.12	6.67	-60.72
CCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300001751237	1	46	0.0	-79.11	353.73	7.38	-71.73
CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001751247	0	51	0.0	-76.61	388.55	7.81	-68.80
CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001751247	1	51	0.0	-67.96	387.78	7.73	-60.23
CCC(NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300001751249	0	52	0.0	-72.61	385.49	7.66	-64.95
CCC(NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300001751249	1	52	0.0	-61.35	379.20	7.14	-54.21
CCC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300001751250	0	46	0.0	-82.28	360.43	6.71	-75.57
CCC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300001751250	1	46	0.0	-73.57	337.01	5.86	-67.71
CCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300001751253	0	48	0.0	-71.09	373.02	6.86	-64.23
CCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300001751254	0	48	0.0	-78.40	372.32	6.61	-71.79
CCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300001751254	1	48	0.0	-81.66	372.66	6.69	-74.97
CCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300001751255	0	49	0.0	-79.70	379.57	8.53	-71.17
CCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001751282	0	50	0.0	-83.85	386.98	6.58	-77.27
CCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001751284	0	46	0.0	-63.33	357.31	9.13	-54.20
CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001751284	1	46	0.0	-62.96	356.69	9.11	-53.85
CCC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001751324	0	44	0.0	-60.39	349.47	5.37	-55.02
CCC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001751324	1	44	0.0	-62.36	349.76	5.36	-57.00
CCC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300001751327	0	42	0.0	-53.63	334.84	7.76	-45.87
CCC(NC(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300001751329	0	48	0.0	-62.01	376.83	9.15	-52.86
CCC(NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300001751344	1	49	0.0	-51.82	358.21	6.37	-45.45
CCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001751358	1	44	0.0	-81.37	349.37	7.81	-73.56
CCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001751358	1	44	0.0	-80.71	349.34	7.85	-72.86
CCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300001751386	1	45	0.0	-70.37	350.22	7.03	-63.34
CCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300001751388	0	51	0.0	-80.78	382.35	7.82	-72.96
CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001751405	0	46	0.0	-68.78	356.93	8.87	-59.91
CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001751405	1	46	0.0	-69.75	360.90	8.93	-60.82
CCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001751418	0	47	0.0	-81.71	378.67	8.41	-73.30
CCC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001751441	0	45	0.0	-61.53	350.19	7.13	-54.40
CCC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001751441	1	45	0.0	-52.75	348.80	7.24	-45.51
CCC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001751545	0	47	0.0	-67.95	365.30	9.34	-58.61
CCC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001751545	1	47	0.0	-62.99	365.94	9.47	-53.52
CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001751565	1	46	0.0	-58.81	361.45	9.11	-49.70
CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001751565	1	46	0.0	-58.88	361.47	9.11	-49.77
CCC(NC(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001751810	0	54	0.0	-73.15	421.40	9.07	-64.08
CCC(NC(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001751810	1	54	0.0	-86.06	422.74	8.95	-77.11
CCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001751833	0	49	0.0	-66.40	376.13	9.83	-56.57
CCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001751834	1	47	0.0	-83.83	361.94	7.55	-76.28
CCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001751834	1	47	0.0	-82.95	361.98	7.55	-75.40
CCC(NC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001751858	0	55	0.0	-52.93	397.42	10.26	-42.67
CCC(NC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001751858	1	55	0.0	-76.60	411.61	10.39	-66.21
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1	REAL300001753143	0	54	0.0	-69.00	428.06	8.88	-60.12
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1	REAL300001753143	1	54	0.0	-69.33	432.95	9.31	-60.02
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C1	REAL300001753855	0	51	0.0	-73.55	404.36	7.81	-65.74
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=C1	REAL300001753879	0	48	0.0	-66.82	387.77	7.26	-59.56
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2CCC[N@H+]2C2CC2)C=C1	REAL300001753879	1	48	0.0	-69.42	381.09	6.61	-62.81
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(CC(=O)NCC(=O)[O-])C=C3)CN21	REAL300001753885	1	49	0.0	-66.10	398.40	7.49	-58.61
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001753957	1	47	0.0	-70.18	363.09	6.17	-64.01
C[N@H+]1CCCCC1C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001753957	1	47	0.0	-68.69	362.93	6.15	-62.54
CC(C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300001753958	1	52	0.0	-71.56	403.80	4.58	-66.98
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001753993	1	47	0.0	-67.26	372.18	6.36	-60.90
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001753993	1	47	0.0	-68.71	362.93	6.15	-62.56
C[NH+]1CCC(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)CC1	REAL300001754067	0	47	0.0	-76.30	375.03	6.41	-69.89
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1	REAL300001754097	0	42	0.0	-72.58	360.39	8.27	-64.31
C[NH+](C)CC1(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)CCCCC1	REAL300001754127	0	56	0.0	-76.87	412.32	8.25	-68.62
C[N@H+](CCC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)C1CCCCC1	REAL300001754132	0	56	0.0	-73.91	428.90	8.34	-65.57
C[N@@H+](CCC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)C1CCCCC1	REAL300001754132	1	56	0.0	-74.09	428.89	8.34	-65.75
C[N@@H+]1CCCC1C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754148	0	44	0.0	-70.49	350.52	5.31	-65.18
C[N@H+]1CCCC1C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754148	1	44	0.0	-70.58	350.43	5.29	-65.29
C[NH+]1CCC(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)CC1	REAL300001754201	0	47	0.0	-76.30	375.03	6.41	-69.89
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1	REAL300001754219	0	57	0.0	-65.71	427.76	8.51	-57.20
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1	REAL300001754219	1	57	0.0	-65.48	427.60	8.59	-56.89
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754254	1	48	0.0	-69.77	401.20	7.65	-62.12
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C=C1	REAL300001754255	1	54	0.0	-76.34	428.49	6.34	-70.00
C[C@@H](C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)[NH+](C)C	REAL300001754261	0	43	0.0	-69.92	348.70	5.15	-64.77
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754262	0	44	0.0	-70.56	350.55	5.31	-65.25
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754262	1	44	0.0	-67.19	356.94	5.74	-61.45
C[C@H](C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)[NH+](C)C	REAL300001754266	0	43	0.0	-69.41	347.55	5.23	-64.18
C[NH+](C)C1(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)CC1	REAL300001754274	1	44	0.0	-73.17	356.73	5.32	-67.85
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001754315	0	54	0.0	-74.08	435.07	9.20	-64.88
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001754315	1	54	0.0	-73.70	433.65	9.13	-64.57
CCC(C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)[NH+](CC)CC	REAL300001754340	0	52	0.0	-64.97	391.04	6.88	-58.09
CC(C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001754342	0	53	0.0	-72.02	425.39	8.74	-63.28
CC(C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001754342	1	53	0.0	-72.84	425.13	8.73	-64.11
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)C=N1	REAL300001754367	0	49	0.0	-77.34	404.17	6.39	-70.95
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754372	0	58	0.0	-72.87	452.49	8.97	-63.90
CC[N@H+](C)C(C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001754373	1	53	0.0	-67.57	422.74	8.91	-58.66
CC[N@@H+](C)C(C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001754373	1	53	0.0	-67.74	423.17	8.86	-58.88
C[N@@H+]1CCOC(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)C1	REAL300001754374	1	45	0.0	-80.29	368.19	5.11	-75.18
C[N@H+]1CCOC(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)C1	REAL300001754374	1	45	0.0	-81.11	367.32	5.12	-75.99
CC[NH+](CC)C(C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001754376	0	56	0.0	-69.53	429.07	8.99	-60.54
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754386	1	48	0.0	-66.40	396.14	7.48	-58.92
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1	REAL300001754397	0	54	0.0	-79.12	433.46	9.37	-69.75
C[NH+](C)CC1(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)CC1	REAL300001754406	0	47	0.0	-71.95	381.03	6.49	-65.46
C[NH+](C)CCCCC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754412	0	49	0.0	-74.22	395.85	6.88	-67.34
CC(C)C(C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)[NH+](C)C	REAL300001754420	0	49	0.0	-70.13	383.11	6.35	-63.78
CC1=C(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300001754430	1	48	0.0	-78.97	404.44	6.62	-72.35
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1	REAL300001754445	1	50	0.0	-77.58	413.92	6.85	-70.73
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)C=C1	REAL300001754446	0	53	0.0	-81.49	430.86	9.08	-72.41
CCC[N@H+](C)CC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754464	0	46	0.0	-71.77	369.45	6.17	-65.60
CCC[N@@H+](C)CC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754464	1	46	0.0	-71.65	369.74	6.16	-65.49
C[N@H+](CC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)C1CCC1	REAL300001754486	0	47	0.0	-69.36	376.30	6.74	-62.62
C[N@@H+](CC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)C1CCC1	REAL300001754486	1	47	0.0	-69.57	376.75	6.74	-62.83
C[N@H+](CC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)CC(C)(C)C	REAL300001754510	0	52	0.0	-71.18	400.74	7.31	-63.87
C[N@@H+](CC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)CC(C)(C)C	REAL300001754510	1	52	0.0	-71.32	400.44	7.33	-63.99
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754512	0	53	0.0	-75.50	429.64	9.18	-66.32
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754512	1	53	0.0	-75.64	429.36	9.19	-66.45
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754513	0	57	0.0	-73.70	458.65	5.36	-68.34
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754513	1	57	0.0	-75.05	458.67	5.37	-69.68
CC[C@@H](C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)[NH+](C)C	REAL300001754516	0	46	0.0	-67.40	358.77	5.83	-61.57
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)C1	REAL300001754518	0	51	0.0	-68.12	391.09	4.81	-63.31
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)C1	REAL300001754518	1	51	0.0	-66.72	400.60	5.02	-61.70
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754540	0	55	0.0	-73.00	433.94	8.51	-64.49
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1	REAL300001754540	1	55	0.0	-72.85	434.24	8.48	-64.37
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C23CCC[NH+]2CCC3)C=C1	REAL300001754551	0	48	0.0	-70.92	374.67	6.69	-64.23
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C1	REAL300001754559	1	42	0.0	-77.20	360.66	8.27	-68.93
C[N@H+](CC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)C1CCSC1	REAL300001754570	1	48	0.0	-76.45	389.43	7.01	-69.44
C[N@@H+](CC(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)C1CCSC1	REAL300001754570	1	48	0.0	-77.60	389.84	6.96	-70.64
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)CC1	REAL300001754587	0	58	0.0	-72.26	440.46	5.55	-66.71
CC(C)N1CC[NH+](CCC(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)CC1	REAL300001754587	1	58	0.0	-74.11	442.39	5.76	-68.35
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C=C1	REAL300001754588	0	51	0.0	-64.16	394.63	7.58	-56.58
O=C([O-])CNC(=O)CC1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C=C1	REAL300001754588	1	51	0.0	-68.24	386.58	7.28	-60.96
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)C=N1	REAL300001754590	0	50	0.0	-79.59	414.82	6.24	-73.35
CC(C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001754605	1	54	0.0	-71.93	428.78	9.13	-62.80
CC(C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001754605	1	54	0.0	-70.98	426.20	9.25	-61.73
CCCC(C(=O)NC1=CC=C(CC(=O)NCC(=O)[O-])C=C1)[NH+](C)C	REAL300001754622	0	49	0.0	-69.60	384.71	6.99	-62.61
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(CC(=O)NCC(=O)[O-])C=C2)=N1	REAL300001754636	0	50	0.0	-83.66	414.90	6.27	-77.39
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CCN1CCC([NH+]2CCC(C(=O)NCCCC(=O)[O-])CC2)CC1	REAL300001764383	0	54	0.0	-69.08	392.30	6.44	-62.64
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCCCC(=O)[O-])=C1	REAL300001764385	0	56	0.0	-73.26	441.38	12.20	-61.06
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCCCC(=O)[O-])=C1	REAL300001764385	1	56	0.0	-74.78	439.63	11.95	-62.83
CC1C[NH+](CC2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)CC(C)O1	REAL300001764389	1	50	0.0	-76.86	390.43	7.87	-68.99
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O=C([O-])CCCNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001764415	0	46	0.0	-74.16	356.85	8.79	-65.37
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCCCC(=O)[O-]	REAL300001764422	0	56	0.0	-71.77	432.56	11.58	-60.19
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCCCC(=O)[O-]	REAL300001764422	1	56	0.0	-70.36	431.69	11.71	-58.65
O=C([O-])CCCNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001764425	1	44	0.0	-67.45	344.40	7.36	-60.09
O=C([O-])CCCNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001764425	1	44	0.0	-67.51	344.51	7.36	-60.15
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCCCC(=O)[O-]	REAL300001764426	0	53	0.0	-63.80	401.63	10.33	-53.47
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCCCC(=O)[O-]	REAL300001764426	1	53	0.0	-62.32	394.45	10.05	-52.27
CC(C(=O)NCCCC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001764433	0	52	0.0	-61.94	390.29	9.84	-52.10
O=C([O-])CCCNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001764452	0	51	0.0	-72.28	391.74	7.64	-64.64
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CC1=CC=CC(N2CC[NH+](CCC(=O)NCCCC(=O)[O-])CC2)=C1	REAL300001764469	0	51	0.0	-70.98	391.64	7.50	-63.48
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O=C([O-])CCCNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300001764472	0	45	0.0	-69.92	353.52	6.92	-63.00
O=C([O-])CCCNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300001764472	1	45	0.0	-65.75	347.14	7.03	-58.72
CCC(CC)C(C(=O)NCCCC(=O)[O-])[NH+]1CCOCC1	REAL300001764480	1	49	0.0	-59.46	348.13	6.35	-53.11
O=C([O-])CCCNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001764494	0	46	0.0	-70.73	360.51	8.64	-62.09
O=C([O-])CCCNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001764494	1	46	0.0	-71.36	362.26	8.73	-62.63
O=C([O-])CCCNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300001764507	0	46	0.0	-69.93	364.99	8.75	-61.18
O=C([O-])CCCNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300001764507	1	46	0.0	-65.15	358.69	8.95	-56.20
O=C([O-])CCCNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300001764509	0	47	0.0	-70.73	367.97	6.25	-64.48
CN1C=CN=C1C[NH+]1CCC(C(=O)NCCCC(=O)[O-])CC1	REAL300001764523	1	46	0.0	-75.81	354.97	6.93	-68.88
O=C([O-])CCCNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300001764533	0	51	0.0	-72.30	391.09	7.56	-64.74
O=C([O-])CCCNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300001764533	1	51	0.0	-68.13	389.83	7.62	-60.51
CC(C)[N@@H+]1CCC(C(=O)NCCCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001764535	0	52	0.0	-68.61	387.31	7.23	-61.38
CC(C)[N@H+]1CCC(C(=O)NCCCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001764535	1	52	0.0	-72.12	395.68	7.51	-64.61
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCCCC(=O)[O-])C=N1	REAL300001764536	0	46	0.0	-71.76	345.36	5.64	-66.12
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCCCC(=O)[O-])C=N1	REAL300001764536	1	46	0.0	-76.21	353.82	5.87	-70.34
C[NH+]1CCN(CC2=CC=CC(C(=O)NCCCC(=O)[O-])=C2)CC1	REAL300001764539	0	48	0.0	-69.09	374.27	6.40	-62.69
C[NH+]1CCN(CC2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300001764540	0	48	0.0	-71.83	373.33	6.22	-65.61
CN1CC[NH+](CC2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300001764540	1	48	0.0	-74.94	373.67	6.29	-68.65
CC[NH+](CC)CCOC1=CC=C(C(=O)NCCCC(=O)[O-])C=C1	REAL300001764541	0	49	0.0	-71.97	376.77	7.83	-64.14
O=C([O-])CCCNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001764568	0	50	0.0	-76.71	388.83	6.15	-70.56
O=C([O-])CCCNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001764570	0	46	0.0	-65.86	358.60	8.68	-57.18
O=C([O-])CCCNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001764570	1	46	0.0	-65.90	358.53	8.68	-57.22
O=C([O-])CCCNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001764610	0	44	0.0	-64.63	350.81	4.91	-59.72
O=C([O-])CCCNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001764610	1	44	0.0	-64.58	350.64	4.91	-59.67
C[NH+](C)CC1=C(C(=O)NCCCC(=O)[O-])OC2=CC=CC=C21	REAL300001764613	0	42	0.0	-62.73	342.76	7.34	-55.39
CC[NH+](CC)C(C(=O)NCCCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300001764615	0	48	0.0	-63.62	374.86	8.83	-54.79
CC(C)C(C(=O)NCCCC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300001764630	1	49	0.0	-60.07	360.28	6.63	-53.44
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCCCC(=O)[O-])=CC=C1N2	REAL300001764644	1	44	0.0	-76.11	350.39	7.42	-68.69
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCCCC(=O)[O-])=CC=C1N2	REAL300001764644	1	44	0.0	-76.16	350.41	7.43	-68.73
CC1=CC=C(N2CCC(C(=O)NCCCC(=O)[O-])CC2)[NH+]=C1	REAL300001764672	1	45	0.0	-65.13	351.48	6.57	-58.56
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)CC1	REAL300001764674	0	51	0.0	-73.50	383.61	7.34	-66.16
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCCCC(=O)[O-]	REAL300001764691	0	46	0.0	-71.51	362.14	8.46	-63.05
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCCCC(=O)[O-]	REAL300001764691	1	46	0.0	-68.83	359.64	8.58	-60.25
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCCCC(=O)[O-])C=C1	REAL300001764704	0	47	0.0	-74.41	379.92	7.97	-66.44
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCCCC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300001764727	0	45	0.0	-66.99	351.42	6.72	-60.27
CC(C)(C)[N@H+]1C[C@H](C(=O)NCCCC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300001764727	1	45	0.0	-63.01	350.30	6.77	-56.24
O=C([O-])CCCNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300001764831	0	47	0.0	-68.08	366.96	9.00	-59.08
O=C([O-])CCCNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300001764831	1	47	0.0	-68.74	367.24	8.96	-59.78
O=C([O-])CCCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300001764851	1	46	0.0	-65.48	353.09	8.56	-56.92
O=C([O-])CCCNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300001764851	1	46	0.0	-62.34	353.05	8.56	-53.78
O=C([O-])CCCNC(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300001765096	0	54	0.0	-78.74	423.05	8.65	-70.09
O=C([O-])CCCNC(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300001765096	1	54	0.0	-77.89	419.99	8.71	-69.18
O=C([O-])CCCNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001765119	0	49	0.0	-67.30	377.14	9.43	-57.87
CC1C[N@H+](CC2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)CCO1	REAL300001765120	1	47	0.0	-76.32	362.95	7.15	-69.17
CC1C[N@@H+](CC2=CC=C(C(=O)NCCCC(=O)[O-])C=C2)CCO1	REAL300001765120	1	47	0.0	-76.45	363.00	7.15	-69.30
CC(C)(C)[N@@H+]1CC[C@H](C(=O)NCCCC(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300001765144	0	55	0.0	-61.81	398.40	9.88	-51.93
CC(C)(C)[N@H+]1CC[C@H](C(=O)NCCCC(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300001765144	1	55	0.0	-74.02	413.25	9.96	-64.06
CC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001766880	1	40	0.0	-50.71	329.47	7.49	-43.22
CC(NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001766880	1	40	0.0	-54.89	334.94	8.05	-46.84
CC1=NC(C[NH+]2CCC(C(=O)NC(C)C(=O)[O-])CC2)=CS1	REAL300001766934	1	42	0.0	-64.18	343.13	5.86	-58.32
CC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001766956	0	46	0.0	-67.54	368.50	7.65	-59.89
CC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001766961	0	46	0.0	-71.73	369.77	9.91	-61.82
CC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001766961	1	46	0.0	-70.78	369.46	9.95	-60.83
CC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001766962	0	46	0.0	-55.55	348.66	8.47	-47.08
CC(NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001766981	0	43	0.0	-57.11	350.42	8.40	-48.71
CC(NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001766981	1	43	0.0	-55.82	349.99	8.24	-47.58
CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001767002	1	43	0.0	-54.01	330.58	7.88	-46.13
CC(NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001767002	1	43	0.0	-53.98	339.63	8.08	-45.90
CC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300001767034	0	46	0.0	-71.38	367.88	7.62	-63.76
CC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300001767071	1	45	0.0	-59.77	347.85	6.19	-53.58
CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001767076	0	46	0.0	-54.71	352.00	9.13	-45.58
CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001767076	1	46	0.0	-54.52	351.83	9.15	-45.37
CC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300001767100	1	44	0.0	-48.36	342.82	4.77	-43.59
CCN1CCC([NH+]2CCC(C(=O)NC(C)C(=O)[O-])CC2)CC1	REAL300001767108	0	51	0.0	-60.91	365.35	5.60	-55.31
CC(NC(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001767109	0	50	0.0	-68.76	414.38	11.30	-57.46
CC(NC(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001767109	1	50	0.0	-68.65	413.45	11.35	-57.30
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC(C)C(=O)[O-])=C1	REAL300001767110	0	53	0.0	-66.38	418.71	11.43	-54.95
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC(C)C(=O)[O-])=C1	REAL300001767110	1	53	0.0	-65.84	418.84	11.53	-54.31
CC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300001767114	1	47	0.0	-72.61	367.42	7.27	-65.34
CC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001767121	1	44	0.0	-68.19	341.97	7.37	-60.82
CC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001767121	1	44	0.0	-67.46	348.93	7.39	-60.07
CC(NC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001767133	0	53	0.0	-63.71	408.75	11.10	-52.61
CC(NC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001767133	1	53	0.0	-65.73	410.03	10.90	-54.83
CC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300001767135	0	50	0.0	-57.66	371.43	9.44	-48.22
CC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300001767135	1	50	0.0	-59.53	378.62	9.71	-49.82
CC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001767140	0	49	0.0	-52.27	367.44	9.22	-43.05
CC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001767153	0	48	0.0	-65.39	368.73	7.03	-58.36
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C)C(=O)[O-])CC2)=C1	REAL300001767163	0	48	0.0	-62.81	369.11	6.83	-55.98
CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001767164	0	45	0.0	-62.23	347.40	6.20	-56.03
CC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001767193	0	43	0.0	-62.51	342.14	8.12	-54.39
CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001767193	1	43	0.0	-61.41	341.95	8.14	-53.27
CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001767194	0	44	0.0	-62.64	345.44	5.58	-57.06
CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001767213	0	48	0.0	-60.35	366.26	7.22	-53.13
CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001767213	1	48	0.0	-67.69	367.27	6.86	-60.83
CC(C)[N@@H+]1CCC(C(=O)NC(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001767215	0	49	0.0	-62.79	364.49	6.61	-56.18
CC(C)[N@H+]1CCC(C(=O)NC(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001767215	1	49	0.0	-64.95	365.60	6.38	-58.57
CC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300001767218	0	45	0.0	-66.04	351.26	5.81	-60.23
CC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300001767219	0	45	0.0	-67.07	350.49	5.60	-61.47
CC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300001767219	1	45	0.0	-70.60	350.83	5.67	-64.93
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300001767220	0	46	0.0	-69.07	357.74	7.49	-61.58
CC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001767241	0	47	0.0	-72.59	365.82	5.55	-67.04
CC[NH+](CC)C(C(=O)NC(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300001767272	0	45	0.0	-54.25	353.50	8.10	-46.15
CC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001767292	1	41	0.0	-73.47	327.54	6.80	-66.67
CC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001767292	1	41	0.0	-73.41	328.06	6.74	-66.67
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CC1	REAL300001767311	0	48	0.0	-69.63	360.76	6.73	-62.90
CC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001767332	0	44	0.0	-70.36	356.91	7.36	-63.00
CC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001767347	0	42	0.0	-58.78	328.39	6.07	-52.71
CC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001767347	1	42	0.0	-55.21	327.57	6.13	-49.08
CC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001767418	0	44	0.0	-60.73	343.51	8.35	-52.38
CC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001767418	1	44	0.0	-57.83	345.03	8.28	-49.55
CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001767432	1	43	0.0	-51.24	330.19	7.92	-43.32
CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001767432	1	43	0.0	-53.58	330.52	7.88	-45.70
CC(NC(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001767607	0	51	0.0	-65.52	399.90	8.07	-57.45
CC(NC(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001767607	1	51	0.0	-67.86	400.84	7.96	-59.90
CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001767621	0	46	0.0	-61.10	354.14	8.84	-52.26
CC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001767622	1	44	0.0	-72.29	340.12	6.53	-65.76
CC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001767622	1	44	0.0	-72.78	340.46	6.49	-66.29
CC(NC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001767645	0	52	0.0	-50.61	375.88	9.22	-41.39
CC(NC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001767645	1	52	0.0	-65.13	390.50	9.34	-55.79
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001768960	0	53	0.0	-82.44	408.44	12.65	-69.79
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300001769697	0	50	0.0	-68.06	389.39	11.79	-56.27
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300001769697	1	50	0.0	-72.92	390.33	12.03	-60.89
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300001770566	1	50	0.0	-70.78	406.11	12.31	-58.47
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300001770566	1	50	0.0	-76.26	405.97	12.30	-63.96
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300001770647	0	47	0.0	-79.06	357.55	10.36	-68.70
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300001770678	0	44	0.0	-70.87	342.95	9.64	-61.23
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCC[N@H+]1C1CC1	REAL300001770678	1	44	0.0	-68.90	340.53	9.81	-59.09
CC1=[NH+]C=C2CCC(C(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)CN12	REAL300001770684	1	45	0.0	-70.04	357.33	10.20	-59.84
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300001770685	0	53	0.0	-69.63	405.12	12.97	-56.66
CC1=NC(C[NH+]2CCC(C(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)CC2)=CS1	REAL300001770766	1	52	0.0	-82.31	416.59	10.49	-71.82
CC(C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300001770767	1	48	0.0	-72.59	360.22	7.29	-65.30
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001770854	0	56	0.0	-80.42	446.36	12.48	-67.94
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300001770867	0	56	0.0	-68.11	416.22	12.81	-55.30
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300001770926	0	38	0.0	-81.84	327.81	11.04	-70.80
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300001770957	0	52	0.0	-67.34	366.97	10.42	-56.92
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300001770962	0	52	0.0	-75.94	390.70	11.32	-64.62
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300001770962	1	52	0.0	-77.03	390.44	11.33	-65.70
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300001770983	1	53	0.0	-73.41	403.83	12.41	-61.00
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300001770983	1	53	0.0	-72.07	415.91	12.90	-59.17
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300001770984	1	50	0.0	-71.68	395.79	11.86	-59.82
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300001770984	1	50	0.0	-77.20	395.66	11.84	-65.36
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300001771040	0	46	0.0	-81.07	378.71	9.96	-71.11
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300001771067	0	53	0.0	-73.21	381.51	11.34	-61.87
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCCC[N@H+]1C1CCCC1	REAL300001771067	1	53	0.0	-68.24	388.35	11.49	-56.75
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300001771068	0	54	0.0	-63.28	393.00	9.61	-53.67
CC1=[NH+]C=CN1CCCC(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300001771099	1	44	0.0	-71.46	363.27	10.63	-60.83
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)CCCC[NH+]1CCOCC1	REAL300001771100	1	50	0.0	-79.42	390.55	9.31	-70.11
CC[N@H+](CC1=CC=C(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1)C(C)C	REAL300001771102	0	55	0.0	-80.88	415.19	12.30	-68.58
CC[N@@H+](CC1=CC=C(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1)C(C)C	REAL300001771102	1	55	0.0	-81.10	407.32	12.03	-69.07
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001771127	0	50	0.0	-76.92	391.04	11.95	-64.97
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001771127	1	50	0.0	-75.84	395.08	12.05	-63.79
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001771128	0	51	0.0	-84.05	391.89	11.38	-72.67
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300001771156	1	55	0.0	-80.99	423.46	10.54	-70.45
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300001771157	0	54	0.0	-76.66	388.85	9.63	-67.03
CCC(C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1)[NH+](CC)CC	REAL300001771161	0	48	0.0	-66.68	353.47	9.86	-56.82
CC(C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001771163	0	49	0.0	-76.06	384.82	11.66	-64.40
CC(C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001771163	1	49	0.0	-75.64	385.92	11.62	-64.02
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001771174	0	56	0.0	-68.65	426.46	13.75	-54.90
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001771174	1	56	0.0	-73.37	424.87	13.66	-59.71
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300001771200	0	45	0.0	-81.86	364.54	9.26	-72.60
CCC[NH+](CCC)CCCC(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300001771211	0	54	0.0	-76.04	410.39	11.65	-64.39
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300001771212	0	54	0.0	-69.39	418.30	9.55	-59.84
CC[N@H+](C)C(C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001771213	0	49	0.0	-73.36	382.31	11.61	-61.75
CC[N@@H+](C)C(C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001771213	1	49	0.0	-66.35	380.70	11.60	-54.75
CC[NH+](CC)C(C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001771218	0	52	0.0	-67.79	384.97	12.02	-55.77
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300001771225	1	44	0.0	-68.43	357.95	10.42	-58.01
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300001771229	1	46	0.0	-71.38	376.68	11.40	-59.98
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300001771243	0	50	0.0	-82.88	392.84	11.98	-70.90
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001771250	0	53	0.0	-74.04	410.46	12.68	-61.36
CCC(C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1)[N@@H+]1CCOC(CC)C1	REAL300001771253	1	53	0.0	-70.62	386.79	9.48	-61.14
CCC(C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1)[N@H+]1CCOC(CC)C1	REAL300001771253	1	53	0.0	-71.40	393.48	9.60	-61.80
CCN1CCC([NH+]2CCC(C(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300001771256	0	61	0.0	-80.24	438.27	10.15	-70.09
CC1C[NH+](CC2=CC=C(C(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)C=C2)CC(C)O1	REAL300001771263	1	57	0.0	-85.87	442.91	11.71	-74.16
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001771274	1	54	0.0	-85.68	419.89	12.17	-73.51
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001771274	1	54	0.0	-83.88	426.68	12.23	-71.65
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300001771290	0	53	0.0	-69.59	397.38	12.34	-57.25
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300001771290	1	53	0.0	-68.42	409.51	12.83	-55.59
CC1=C(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300001771292	1	44	0.0	-86.60	364.80	9.21	-77.39
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001771300	0	53	0.0	-84.26	410.41	12.69	-71.57
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300001771313	1	46	0.0	-81.10	373.38	10.11	-70.99
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300001771314	0	49	0.0	-85.05	390.52	11.67	-73.38
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300001771326	1	42	0.0	-70.30	341.90	8.26	-62.04
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001771327	1	51	0.0	-73.93	395.88	11.39	-62.54
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001771327	1	51	0.0	-79.09	403.17	11.54	-67.55
CC(C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001771339	0	59	0.0	-71.06	448.89	14.15	-56.91
CC(C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCSCC1	REAL300001771384	1	44	0.0	-76.09	342.93	9.38	-66.71
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300001771390	0	48	0.0	-73.88	361.82	10.22	-63.66
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300001771390	1	48	0.0	-73.43	361.98	10.16	-63.27
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300001771392	0	49	0.0	-77.11	391.44	12.11	-65.00
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300001771392	1	49	0.0	-77.18	391.17	12.12	-65.06
COCCOCC[N@H+](C)CCC(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300001771393	0	53	0.0	-76.19	420.43	8.35	-67.84
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CC1=CC=C(N2CCC(C(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)CC2)[NH+]=C1	REAL300001772043	1	52	0.0	-73.24	395.32	10.25	-62.99
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300001772044	1	46	0.0	-78.19	368.74	11.27	-66.92
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300001772044	1	46	0.0	-77.22	368.95	11.27	-65.95
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)C=C2)CC1	REAL300001772048	0	58	0.0	-83.06	436.96	11.19	-71.87
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300001772066	1	41	0.0	-84.48	346.30	8.75	-75.73
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300001772097	1	42	0.0	-82.81	348.04	8.98	-73.83
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300001772101	0	53	0.0	-85.89	414.73	12.58	-73.31
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300001772101	1	53	0.0	-76.02	414.92	12.56	-63.46
CC(C)[N@@H+]1CCCC1C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300001772120	0	46	0.0	-68.93	345.88	9.53	-59.40
CC(C)[N@H+]1CCCC1C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300001772120	1	46	0.0	-70.02	354.58	9.68	-60.34
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001772127	0	54	0.0	-84.02	433.95	12.18	-71.84
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)COC1CC[NH+](C)CC1	REAL300001772146	0	47	0.0	-81.57	372.25	9.83	-71.74
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001772152	0	50	0.0	-83.13	395.00	11.37	-71.76
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300001772195	0	52	0.0	-84.34	402.18	10.72	-73.62
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300001772195	1	52	0.0	-77.77	404.61	10.83	-66.94
CCC[N@@H+]1CCCC(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001772348	0	49	0.0	-69.46	364.96	10.62	-58.84
CCC[N@H+]1CCCC(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001772348	1	49	0.0	-73.56	371.11	10.44	-63.12
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300001772381	0	49	0.0	-70.46	372.93	10.66	-59.80
CC(C)C[N@H+]1CCCC1C(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300001772381	1	49	0.0	-71.37	363.91	9.97	-61.40
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C[NH+]1CCC(CO)CC1	REAL300001772382	0	47	0.0	-75.01	366.19	6.86	-68.15
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300001772484	0	54	0.0	-85.84	415.03	12.83	-73.01
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300001772484	1	54	0.0	-79.49	416.65	12.81	-66.68
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300001772525	1	53	0.0	-69.38	415.93	12.90	-56.48
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300001772525	1	53	0.0	-73.30	415.89	12.90	-60.40
CC(C)[N@@H+]1CCCC(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001772623	0	49	0.0	-72.54	368.21	10.30	-62.24
CC(C)[N@H+]1CCCC(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001772623	1	49	0.0	-72.17	366.28	10.21	-61.96
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300001772624	0	43	0.0	-90.46	352.84	9.27	-81.19
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300001772624	1	43	0.0	-77.12	342.11	8.99	-68.13
CC1=C(C)[NH+]=C(CCC(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)N1	REAL300001772649	1	44	0.0	-69.99	362.27	9.00	-60.99
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC(CC[NH+](C)C)=CC=C1	REAL300001773153	0	49	0.0	-81.90	390.47	11.67	-70.23
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300001773161	0	50	0.0	-82.92	397.18	10.62	-72.30
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001773262	0	56	0.0	-75.73	432.06	13.67	-62.06
CC1C[N@H+](CC2=CC=C(C(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)C=C2)CCO1	REAL300001773264	1	54	0.0	-88.40	413.55	10.97	-77.43
CC1C[N@@H+](CC2=CC=C(C(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)C=C2)CCO1	REAL300001773264	1	54	0.0	-85.70	415.18	10.99	-74.71
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300001773311	0	49	0.0	-76.60	359.74	10.10	-66.50
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001773378	0	52	0.0	-75.24	389.33	11.18	-64.06
CC(C)C[N@H+]1CCCC(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001773378	1	52	0.0	-75.24	389.33	11.18	-64.06
CC[N@@H+]1CCCC(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001773379	0	46	0.0	-75.63	350.41	9.77	-65.86
CC[N@H+]1CCCC(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300001773379	1	46	0.0	-75.63	350.41	9.77	-65.86
CN(C)CC1=CC=C(C(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)O1	REAL300001773385	0	43	0.0	-84.85	353.40	9.50	-75.35
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300001773385	1	43	0.0	-84.85	353.40	9.50	-75.35
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300001773391	0	52	0.0	-78.22	372.59	10.31	-67.91
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300001773391	1	52	0.0	-78.22	372.59	10.31	-67.91
CN(CC1=CC=C(C(=O)[O-])C=C1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300001773394	0	45	0.0	-75.41	341.88	10.76	-64.65
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)O1	REAL300001774721	0	50	0.0	-75.73	397.34	9.79	-65.94
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)O1	REAL300001775491	0	47	0.0	-65.62	375.70	8.73	-56.89
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)O1	REAL300001775491	1	47	0.0	-66.34	379.86	9.20	-57.14
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CC[NH+](C3CC3)CC2)O1	REAL300001776415	0	44	0.0	-69.03	345.69	7.42	-61.61
CC1=[NH+]C=C2CCC(C(=O)NCC3=CC(C(=O)[O-])=C(C)O3)CN21	REAL300001776443	1	42	0.0	-64.12	343.87	7.31	-56.81
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)O1	REAL300001776444	0	50	0.0	-68.01	399.19	9.66	-58.35
CC1=NC(C[NH+]2CCC(C(=O)NCC3=CC(C(=O)[O-])=C(C)O3)CC2)=CS1	REAL300001776520	1	49	0.0	-73.66	404.33	7.48	-66.18
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C)N2CC[NH+](C)CC2)O1	REAL300001776521	1	45	0.0	-71.22	349.51	4.40	-66.82
CC1=C(C(=O)[O-])C=C(CNC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)O1	REAL300001776605	0	53	0.0	-74.52	430.32	9.30	-65.22
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)O1	REAL300001776617	0	53	0.0	-78.53	431.12	11.64	-66.89
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)O1	REAL300001776617	1	53	0.0	-78.29	431.07	11.64	-66.65
CC1=C(C(=O)[O-])C=C(CNC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)O1	REAL300001776619	0	53	0.0	-66.14	409.98	10.20	-55.94
CC1=C(C(=O)[O-])C=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)O1	REAL300001776704	0	49	0.0	-71.83	360.74	8.23	-63.60
CC1=C(C(=O)[O-])C=C(CNC(=O)CC[N@@H+](C)C2CCCCC2)O1	REAL300001776708	0	49	0.0	-70.91	374.67	8.16	-62.75
CC1=C(C(=O)[O-])C=C(CNC(=O)CC[N@H+](C)C2CCCCC2)O1	REAL300001776708	1	49	0.0	-70.72	374.66	8.15	-62.57
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)O1	REAL300001776789	0	43	0.0	-72.33	365.49	7.18	-65.15
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)O1	REAL300001776794	0	53	0.0	-78.70	429.54	9.31	-69.39
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)O1	REAL300001776819	0	50	0.0	-62.08	373.13	8.34	-53.74
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCCC[N@H+]2C2CCCC2)O1	REAL300001776819	1	50	0.0	-63.61	370.52	8.56	-55.05
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)O1	REAL300001776820	0	51	0.0	-65.36	381.45	6.70	-58.66
CC1=[NH+]C=CN1CCCC(=O)NCC1=CC(C(=O)[O-])=C(C)O1	REAL300001776851	1	41	0.0	-67.76	347.22	7.46	-60.30
CC1=C(C(=O)[O-])C=C(CNC(=O)CCCC[NH+]2CCOCC2)O1	REAL300001776852	1	47	0.0	-74.51	374.52	6.16	-68.35
CC[N@H+](CC1=CC=C(C(=O)NCC2=CC(C(=O)[O-])=C(C)O2)C=C1)C(C)C	REAL300001776854	0	52	0.0	-74.11	395.57	9.50	-64.61
CC[N@@H+](CC1=CC=C(C(=O)NCC2=CC(C(=O)[O-])=C(C)O2)C=C1)C(C)C	REAL300001776854	1	52	0.0	-72.51	393.75	9.24	-63.27
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300001776879	0	47	0.0	-71.30	382.87	9.07	-62.23
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300001776879	1	47	0.0	-71.43	382.87	9.13	-62.30
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CC[NH+](C3CCSC3)CC2)O1	REAL300001776880	0	48	0.0	-78.00	380.07	8.44	-69.56
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)O1	REAL300001776909	1	52	0.0	-69.59	409.66	7.86	-61.73
CC1=C(C(=O)[O-])C=C(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)O1	REAL300001776910	0	51	0.0	-71.02	369.18	6.24	-64.78
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)O1	REAL300001776913	0	46	0.0	-67.10	371.40	8.56	-58.54
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)O1	REAL300001776913	1	46	0.0	-68.03	371.14	8.57	-59.46
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)O1	REAL300001776924	0	53	0.0	-68.34	415.27	10.88	-57.46
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)O1	REAL300001776924	1	53	0.0	-73.72	419.92	10.61	-63.11
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(C[NH+](C)C)N=C2)O1	REAL300001776953	0	42	0.0	-74.69	350.21	6.56	-68.13
CCC[NH+](CCC)CCCC(=O)NCC1=CC(C(=O)[O-])=C(C)O1	REAL300001776964	0	51	0.0	-71.33	394.34	8.49	-62.84
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)O1	REAL300001776965	1	51	0.0	-65.25	404.35	6.51	-58.74
CC[N@H+](C)C(C(=O)NCC1=CC(C(=O)[O-])=C(C)O1)C1=CC=CC=C1	REAL300001776966	0	46	0.0	-63.07	369.68	8.69	-54.38
CC[N@@H+](C)C(C(=O)NCC1=CC(C(=O)[O-])=C(C)O1)C1=CC=CC=C1	REAL300001776966	1	46	0.0	-64.99	368.74	8.70	-56.29
CC[NH+](CC)C(C(=O)NCC1=CC(C(=O)[O-])=C(C)O1)C1=CC=CC=C1	REAL300001776971	0	49	0.0	-65.76	376.46	8.74	-57.02
CC1=C(C(=O)[O-])C=C(CNC(=O)CN2C=C[NH+]=C2C(C)C)O1	REAL300001776977	1	41	0.0	-64.00	341.98	7.28	-56.72
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)O1	REAL300001776979	1	43	0.0	-68.39	367.71	8.58	-59.81
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)O1	REAL300001776993	0	47	0.0	-75.41	379.22	9.20	-66.21
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)O1	REAL300001777000	0	50	0.0	-73.55	395.97	9.90	-63.65
CCN1CCC([NH+]2CCC(C(=O)NCC3=CC(C(=O)[O-])=C(C)O3)CC2)CC1	REAL300001777007	0	58	0.0	-72.64	427.15	7.28	-65.36
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)O1	REAL300001777014	1	54	0.0	-78.88	429.28	8.93	-69.95
CC1=C(C(=O)[O-])C=C(CNC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)O1	REAL300001777025	1	51	0.0	-78.79	405.41	9.10	-69.69
CC1=C(C(=O)[O-])C=C(CNC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)O1	REAL300001777025	1	51	0.0	-77.23	412.19	9.16	-68.07
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)O1	REAL300001777040	1	50	0.0	-63.81	394.93	9.72	-54.09
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)O1	REAL300001777040	1	50	0.0	-65.36	387.07	9.60	-55.76
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)O1	REAL300001777042	1	41	0.0	-79.32	352.02	6.44	-72.88
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)O1	REAL300001777050	0	50	0.0	-75.75	395.96	9.90	-65.85
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)O1	REAL300001777062	1	43	0.0	-77.99	359.66	6.65	-71.34
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(CC[NH+](C)C)C=C2)O1	REAL300001777063	0	46	0.0	-78.02	376.90	8.88	-69.14
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=CC(C(=O)[O-])=C(C)O1	REAL300001777074	1	39	0.0	-61.43	325.55	5.62	-55.81
CC1=C(C(=O)[O-])C=C(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)O1	REAL300001777075	1	48	0.0	-73.39	383.22	8.43	-64.96
CC1=C(C(=O)[O-])C=C(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)O1	REAL300001777075	1	48	0.0	-76.03	392.00	8.65	-67.38
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)O1	REAL300001777089	0	56	0.0	-68.25	434.48	11.03	-57.22
CC1=C(C(=O)[O-])C=C(CNC(=O)C[N@H+](C)CCC2=CC=CC=C2)O1	REAL300001777136	0	46	0.0	-72.53	375.39	9.00	-63.53
CC1=C(C(=O)[O-])C=C(CNC(=O)C[N@@H+](C)CCC2=CC=CC=C2)O1	REAL300001777136	1	46	0.0	-72.48	375.39	9.01	-63.47
COCCOCC[N@H+](C)CCC(=O)NCC1=CC(C(=O)[O-])=C(C)O1	REAL300001777137	0	50	0.0	-71.48	404.42	5.17	-66.31
COCCOCC[N@@H+](C)CCC(=O)NCC1=CC(C(=O)[O-])=C(C)O1	REAL300001777137	1	50	0.0	-71.81	404.44	5.20	-66.61
CC1=C(C(=O)[O-])C=C(CNC(=O)CC2(O)CCC[N@@H+](C)C2)O1	REAL300001777141	0	44	0.0	-69.25	343.70	5.00	-64.25
CC1=C(C(=O)[O-])C=C(CNC(=O)CC2(O)CCC[N@H+](C)C2)O1	REAL300001777141	1	44	0.0	-65.57	346.57	4.92	-60.65
CC1=C(C(=O)[O-])C=C(CNC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)O1	REAL300001777151	0	55	0.0	-76.07	430.55	8.71	-67.36
CCCCCC[N@H+](C)CC(=O)NCC1=CC(C(=O)[O-])=C(C)O1	REAL300001777155	0	48	0.0	-69.45	379.98	8.32	-61.13
CCCCCC[N@@H+](C)CC(=O)NCC1=CC(C(=O)[O-])=C(C)O1	REAL300001777155	1	48	0.0	-69.59	379.98	8.33	-61.26
CC1=C(C(=O)[O-])C=C(CNC(=O)C[N@@H+](C)C2CCSC2)O1	REAL300001777184	0	41	0.0	-72.89	335.46	6.81	-66.08
CC1=C(C(=O)[O-])C=C(CNC(=O)C[N@H+](C)C2CCSC2)O1	REAL300001777184	1	41	0.0	-73.65	335.59	6.78	-66.87
CC1=C(C(=O)[O-])C=C(CNC(=O)CCN2CC[NH+](C(C)C)CC2)O1	REAL300001777199	0	51	0.0	-70.56	386.49	5.36	-65.20
CC1=C(C(=O)[O-])C=C(CNC(=O)CC[NH+]2CCN(C(C)C)CC2)O1	REAL300001777199	1	51	0.0	-70.98	388.11	5.54	-65.44
CC1=C(C(=O)[O-])C=C(CNC(=O)CCCN2CC[NH+](C(C)C)CC2)O1	REAL300001777200	0	54	0.0	-69.23	407.99	6.17	-63.06
CC1=C(C(=O)[O-])C=C(CNC(=O)CCC[NH+]2CCN(C(C)C)CC2)O1	REAL300001777200	1	54	0.0	-71.68	409.42	6.33	-65.35
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCCC3CCC[N@@H+]32)O1	REAL300001777201	0	44	0.0	-61.48	342.28	7.46	-54.02
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCCC3CCC[N@H+]32)O1	REAL300001777201	1	44	0.0	-61.57	342.37	7.47	-54.10
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CN(CC[NH+](C)C)N=C2)O1	REAL300001777203	0	43	0.0	-78.61	360.56	6.05	-72.56
CC1=C(C(=O)[O-])C=C(CNC(=O)CC[NH+]2CCN(C3=CC(C)=CC=C3)CC2)O1	REAL300001777210	0	55	0.0	-75.29	430.46	8.57	-66.72
CC1=C(C(=O)[O-])C=C(CNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)O1	REAL300001777212	0	52	0.0	-75.25	409.05	7.90	-67.35
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)O1	REAL300001777215	0	49	0.0	-71.15	386.01	8.10	-63.05
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)O1	REAL300001777215	1	49	0.0	-70.88	387.58	8.16	-62.72
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)O1	REAL300001777220	1	47	0.0	-68.10	374.72	8.93	-59.17
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)O1	REAL300001777220	1	47	0.0	-68.16	372.92	9.19	-58.97
CC1=C(C(=O)[O-])C=C(CNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300001777248	0	50	0.0	-74.72	403.00	9.83	-64.89
CC1=C(C(=O)[O-])C=C(CNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300001777248	1	50	0.0	-74.41	400.78	9.79	-64.62
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=NN(CC[NH+](C)C)C=C2)O1	REAL300001777263	0	43	0.0	-77.65	360.94	6.06	-71.59
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=NN2CC[NH+](C)C)O1	REAL300001777264	0	43	0.0	-68.85	356.11	6.03	-62.82
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=CC(C(=O)[O-])=C(C)O1	REAL300001777270	1	44	0.0	-64.36	362.21	7.77	-56.59
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)O1	REAL300001777286	0	50	0.0	-74.43	405.42	9.87	-64.56
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)O1	REAL300001777286	1	50	0.0	-70.37	397.50	10.02	-60.35
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C)C[NH+]2CCOCC2)O1	REAL300001777291	0	44	0.0	-71.05	347.56	5.29	-65.76
CC1=C(C(=O)[O-])C=C(CNC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)O1	REAL300001777292	0	51	0.0	-74.84	406.81	7.32	-67.52
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)O1	REAL300001777345	1	50	0.0	-78.64	393.80	7.99	-70.65
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)O1	REAL300001777346	0	50	0.0	-69.54	383.73	8.59	-60.95
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)O1	REAL300001777346	1	50	0.0	-68.74	381.86	8.49	-60.25
CC1=C(C(=O)[O-])C=C(CNC(=O)C23CCC[NH+](CCC2)C3)O1	REAL300001777365	0	44	0.0	-71.24	333.65	6.76	-64.48
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC3CCCC[N@@H+]32)O1	REAL300001777369	0	44	0.0	-64.57	339.69	7.10	-57.47
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC3CCCC[N@H+]32)O1	REAL300001777369	1	44	0.0	-63.67	338.55	7.11	-56.56
CC1=C(C(=O)[O-])C=C(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)O1	REAL300001777371	0	55	0.0	-75.91	429.90	8.62	-67.29
CC1=C(C(=O)[O-])C=C(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)O1	REAL300001777371	1	55	0.0	-72.88	430.25	8.74	-64.14
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C)(C)C[NH+]2CCOCC2)O1	REAL300001777378	0	47	0.0	-66.87	357.06	5.64	-61.23
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CC[N@@H+](C(C)C)CC2C2=CN(C)N=C2)O1	REAL300001777383	0	56	0.0	-77.24	427.45	8.04	-69.20
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CC[N@H+](C(C)C)CC2C2=CN(C)N=C2)O1	REAL300001777383	1	56	0.0	-74.91	427.45	8.03	-66.88
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)O1	REAL300001777384	0	50	0.0	-80.30	392.65	6.94	-73.36
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)O1	REAL300001777384	1	50	0.0	-79.65	400.27	7.37	-72.28
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)O1	REAL300001777389	0	52	0.0	-73.06	413.09	7.47	-65.59
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)O1	REAL300001777390	0	52	0.0	-74.25	413.01	7.48	-66.77
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)O1	REAL300001777390	1	52	0.0	-76.57	412.49	7.35	-69.22
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2=CC(C(=O)[O-])=C(C)O2)C=C1	REAL300001777391	0	53	0.0	-73.71	419.40	9.18	-64.53
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CC[NH+](C(C)C)CC2)O1	REAL300001777397	0	46	0.0	-70.23	351.50	7.18	-63.05
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)O1	REAL300001777511	0	54	0.0	-78.21	427.64	7.21	-71.00
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=CC(C[NH+](C)C)=C2)O1	REAL300001777515	0	43	0.0	-74.42	354.41	8.06	-66.36
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300001777516	0	50	0.0	-68.28	391.16	9.94	-58.34
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300001777516	1	50	0.0	-70.38	398.96	9.80	-60.58
C#CC[NH+]1CCC(C(=O)NCC2=CC(C(=O)[O-])=C(C)O2)CC1	REAL300001777582	0	42	0.0	-73.84	345.51	7.37	-66.47
CCC[N@@H+]1CCCCC1C(=O)NCC1=CC(C(=O)[O-])=C(C)O1	REAL300001777584	0	46	0.0	-65.35	349.71	7.45	-57.90
CCC[N@H+]1CCCCC1C(=O)NCC1=CC(C(=O)[O-])=C(C)O1	REAL300001777584	1	46	0.0	-63.32	357.54	7.54	-55.78
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=CC=C2C[NH+](C)C)O1	REAL300001777586	0	43	0.0	-63.80	346.83	8.34	-55.46
CC[NH+]1CCN(CCC(=O)NCC2=CC(C(=O)[O-])=C(C)O2)CC1	REAL300001777588	0	48	0.0	-71.72	373.70	5.07	-66.65
CCN1CC[NH+](CCC(=O)NCC2=CC(C(=O)[O-])=C(C)O2)CC1	REAL300001777588	1	48	0.0	-70.97	374.86	5.22	-65.75
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C(C)C)[NH+]2CCCCC2)O1	REAL300001777590	0	49	0.0	-62.67	361.66	8.41	-54.26
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C2=CC=CC=C2)[NH+](C)C)O1	REAL300001777591	1	43	0.0	-64.98	350.98	8.06	-56.92
CC1=C(C(=O)[O-])C=C(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300001777595	0	48	0.0	-69.71	389.25	6.00	-63.71
CC1=C(C(=O)[O-])C=C(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300001777595	1	48	0.0	-69.62	389.47	5.98	-63.64
CC1=C(C(=O)[O-])C=C(CNC(=O)CCN2C=C[NH+]=C2C(C)C)O1	REAL300001777601	1	44	0.0	-64.21	361.66	7.70	-56.51
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)O1	REAL300001777602	0	46	0.0	-68.96	375.49	8.38	-60.58
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@@H+]2C2CCCC2)O1	REAL300001777607	0	47	0.0	-66.53	352.26	7.92	-58.61
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@H+]2C2CCCC2)O1	REAL300001777607	1	47	0.0	-65.16	363.80	8.01	-57.15
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C)[NH+]2CCCCCC2)O1	REAL300001777637	0	46	0.0	-64.82	347.35	7.34	-57.48
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)O1	REAL300001777673	1	48	0.0	-79.30	390.81	8.55	-70.75
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)O1	REAL300001777673	1	48	0.0	-79.24	389.41	8.46	-70.78
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=CC(C(=O)[O-])=C(C)O2)O1	REAL300001777731	0	46	0.0	-70.31	376.62	7.71	-62.60
CC1=C(C(=O)[O-])C=C(CNC(=O)CCCC[NH+]2CCCC2)O1	REAL300001777732	0	46	0.0	-71.26	367.58	7.88	-63.38
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)O1	REAL300001777734	1	49	0.0	-67.81	390.29	7.64	-60.17
CC1=C(C(=O)[O-])C=C(CNC(=O)C[N@@H+](C)CC2=CC=CC=C2)O1	REAL300001777735	1	43	0.0	-71.95	352.91	8.16	-63.79
CC1=C(C(=O)[O-])C=C(CNC(=O)C[N@H+](C)CC2=CC=CC=C2)O1	REAL300001777735	1	43	0.0	-72.08	352.96	8.15	-63.93
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)O1	REAL300001777739	0	55	0.0	-75.44	422.42	8.42	-67.02
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)O1	REAL300001777753	1	38	0.0	-78.36	335.56	6.00	-72.36
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=NOC(C[NH+](C)C)=C2)O1	REAL300001777782	1	39	0.0	-79.39	335.37	5.60	-73.79
CC1=C(C(=O)[O-])C=C(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)O1	REAL300001777788	0	50	0.0	-75.63	400.96	9.55	-66.08
CC1=C(C(=O)[O-])C=C(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)O1	REAL300001777788	1	50	0.0	-72.62	399.85	9.68	-62.94
CC1=C(C(=O)[O-])C=C(CNC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)O1	REAL300001777812	0	51	0.0	-76.28	418.75	9.03	-67.25
CC1=C(C(=O)[O-])C=C(CNC(=O)COC2CC[NH+](C)CC2)O1	REAL300001777829	0	44	0.0	-75.65	356.21	6.65	-69.00
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)O1	REAL300001777835	0	47	0.0	-72.46	382.40	8.25	-64.21
CC1=C(C(=O)[O-])C=C(CNC(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)O1	REAL300001777876	0	49	0.0	-71.90	391.82	7.85	-64.05
CC1=C(C(=O)[O-])C=C(CNC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)O1	REAL300001777876	1	49	0.0	-69.38	388.91	7.86	-61.52
CCC[N@@H+]1CCCC(C(=O)NCC2=CC(C(=O)[O-])=C(C)O2)C1	REAL300001778020	0	46	0.0	-68.96	360.00	7.57	-61.39
CCC[N@H+]1CCCC(C(=O)NCC2=CC(C(=O)[O-])=C(C)O2)C1	REAL300001778020	1	46	0.0	-69.08	361.60	7.64	-61.44
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@H+]2CC(C)C)O1	REAL300001778052	0	46	0.0	-65.32	350.58	7.83	-57.49
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@@H+]2CC(C)C)O1	REAL300001778052	1	46	0.0	-66.38	351.67	7.91	-58.47
CC1=C(C(=O)[O-])C=C(CNC(=O)C[NH+]2CCC(CO)CC2)O1	REAL300001778055	1	44	0.0	-69.74	350.05	3.75	-65.99
CC1=C(C(=O)[O-])C=C(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)O1	REAL300001778149	0	51	0.0	-72.52	406.76	10.11	-62.41
CC1=C(C(=O)[O-])C=C(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)O1	REAL300001778149	1	51	0.0	-73.53	407.44	10.13	-63.40
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@@H+](C(C)C)C2)O1	REAL300001778276	0	46	0.0	-62.83	350.51	7.62	-55.21
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@H+](C(C)C)C2)O1	REAL300001778276	1	46	0.0	-63.92	348.88	7.56	-56.36
CC1=C(C(=O)[O-])C=C(CNC(=O)C2C[N@@H+](C)CC2C(F)(F)F)O1	REAL300001778277	0	40	0.0	-80.58	330.63	6.83	-73.75
CC1=C(C(=O)[O-])C=C(CNC(=O)C2C[N@H+](C)CC2C(F)(F)F)O1	REAL300001778277	1	40	0.0	-74.54	342.38	6.39	-68.15
CC1=C(C)[NH+]=C(CCC(=O)NCC2=CC(C(=O)[O-])=C(C)O2)N1	REAL300001778303	1	41	0.0	-64.94	346.49	5.84	-59.10
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=CC(CC[NH+](C)C)=C2)O1	REAL300001778777	0	46	0.0	-75.77	376.90	8.88	-66.89
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)O1	REAL300001778783	0	47	0.0	-75.16	384.20	7.84	-67.32
CC1=C(C(=O)[O-])C=C(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)O1	REAL300001778873	0	53	0.0	-71.02	415.96	10.50	-60.52
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)O1	REAL300001778875	1	51	0.0	-77.98	403.37	8.28	-69.70
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)O1	REAL300001778875	1	51	0.0	-78.13	403.43	8.28	-69.85
CC1=C(C(=O)[O-])C=C(CNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)O1	REAL300001778918	0	46	0.0	-65.10	350.16	7.30	-57.80
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@@H+](CC(C)C)C2)O1	REAL300001778984	0	49	0.0	-65.16	371.14	8.48	-56.68
CC1=C(C(=O)[O-])C=C(CNC(=O)C2CCC[N@H+](CC(C)C)C2)O1	REAL300001778984	1	49	0.0	-65.16	371.14	8.48	-56.68
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(CN(C)C)O2)O1	REAL300001778989	0	40	0.0	-73.19	340.83	6.37	-66.82
CC1=C(C(=O)[O-])C=C(CNC(=O)C2=CC=C(C[NH+](C)C)O2)O1	REAL300001778989	1	40	0.0	-73.19	340.83	6.37	-66.82
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C)(C)C2CCC[N@@H+](C)C2)O1	REAL300001778994	0	49	0.0	-72.89	367.86	7.75	-65.14
CC1=C(C(=O)[O-])C=C(CNC(=O)C(C)(C)C2CCC[N@H+](C)C2)O1	REAL300001778994	1	49	0.0	-72.89	367.86	7.75	-65.14
CC1=C(C(=O)[O-])C=C(CNC(=O)C23CC(C2)CN3C2CC2)O1	REAL300001778997	0	42	0.0	-63.10	334.81	7.24	-55.86
CC1=C(C(=O)[O-])C=C(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)O1	REAL300001778997	1	42	0.0	-65.43	332.52	8.00	-57.43
CC1=C(C(=O)[O-])C=C(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)O1	REAL300001778997	1	42	0.0	-65.43	332.52	8.00	-57.43
C[NH+](C)CC(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779301	1	40	0.0	-79.06	336.11	7.18	-71.88
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779302	1	47	0.0	-76.36	368.74	8.61	-67.75
C[N@H+]1CCCCC1C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779302	1	47	0.0	-75.75	368.56	8.59	-67.16
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779312	1	47	0.0	-74.90	377.78	8.79	-66.11
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779312	1	47	0.0	-76.14	368.52	8.59	-67.55
C[NH+]1CCC(C(=O)NC2=CC=C(N3N=CC(C(=O)[O-])=C3C(F)(F)F)C=C2)CC1	REAL300001779323	0	47	0.0	-80.55	380.71	8.84	-71.71
C[N@@H+]1CCCC1C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779345	0	44	0.0	-76.93	356.16	7.73	-69.20
C[N@H+]1CCCC1C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779345	1	44	0.0	-77.45	355.99	7.74	-69.71
C[NH+]1CCC(C(=O)NC2=CC=C(N3N=CC(C(=O)[O-])=C3C(F)(F)F)C=C2)CC1	REAL300001779363	0	47	0.0	-80.55	380.71	8.84	-71.71
C[C@@H](C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1)[NH+](C)C	REAL300001779380	0	43	0.0	-76.86	354.06	7.62	-69.24
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779381	0	44	0.0	-77.90	356.12	7.75	-70.15
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779381	1	44	0.0	-74.11	362.50	8.17	-65.94
C[C@H](C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1)[NH+](C)C	REAL300001779385	0	43	0.0	-75.43	353.18	7.66	-67.77
C[NH+](C)C1(C(=O)NC2=CC=C(N3N=CC(C(=O)[O-])=C3C(F)(F)F)C=C2)CC1	REAL300001779392	1	44	0.0	-79.80	365.20	8.39	-71.41
C[N@@H+]1CCOC(C(=O)NC2=CC=C(N3N=CC(C(=O)[O-])=C3C(F)(F)F)C=C2)C1	REAL300001779430	1	45	0.0	-90.45	373.18	7.56	-82.89
C[N@H+]1CCOC(C(=O)NC2=CC=C(N3N=CC(C(=O)[O-])=C3C(F)(F)F)C=C2)C1	REAL300001779430	1	45	0.0	-89.01	373.70	7.54	-81.47
C[NH+](C)CC1(C(=O)NC2=CC=C(N3N=CC(C(=O)[O-])=C3C(F)(F)F)C=C2)CC1	REAL300001779436	0	47	0.0	-75.12	386.97	9.01	-66.11
C[NH+](C)CCCCC(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779437	0	49	0.0	-77.97	401.48	9.31	-68.66
CC(C)C(C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1)[NH+](C)C	REAL300001779441	0	49	0.0	-75.80	385.31	9.32	-66.48
CCC[N@H+](C)CC(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779444	0	46	0.0	-78.71	375.07	8.61	-70.10
CCC[N@@H+](C)CC(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779444	1	46	0.0	-79.36	375.37	8.60	-70.76
C[N@H+](CC(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1)C1CCC1	REAL300001779447	0	47	0.0	-76.15	381.94	9.18	-66.97
C[N@@H+](CC(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1)C1CCC1	REAL300001779447	1	47	0.0	-77.28	382.37	9.17	-68.11
CC[C@@H](C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1)[NH+](C)C	REAL300001779451	0	46	0.0	-75.09	366.17	8.20	-66.89
CCCC(C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1)[NH+](C)C	REAL300001779472	0	49	0.0	-77.02	390.50	9.10	-67.92
C[C@@H]1[C@H](C(=O)NC2=CC=C(N3N=CC(C(=O)[O-])=C3C(F)(F)F)C=C2)CC[N@@H+]1C	REAL300001779475	0	47	0.0	-80.10	373.35	8.35	-71.75
C[C@@H]1[C@H](C(=O)NC2=CC=C(N3N=CC(C(=O)[O-])=C3C(F)(F)F)C=C2)CC[N@H+]1C	REAL300001779475	1	47	0.0	-79.33	378.09	8.63	-70.70
O=C([O-])C1=C(C(F)(F)F)N(C2=CC=C(NC(=O)C[NH+]3CCCC3)C=C2)N=C1	REAL300001779477	0	44	0.0	-77.41	360.60	8.27	-69.14
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779478	1	42	0.0	-73.48	365.27	8.81	-64.67
CC[NH+](CC)CC(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779494	0	46	0.0	-76.76	367.63	8.26	-68.50
O=C([O-])C1=C(C(F)(F)F)N(C2=CC=C(NC(=O)C34CC[NH+](CC3)C4)C=C2)N=C1	REAL300001779499	0	45	0.0	-78.75	367.28	7.74	-71.01
CCC(C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1)[NH+](C)C	REAL300001779501	0	46	0.0	-76.29	368.91	8.34	-67.95
C[NH+](C)C1(C(=O)NC2=CC=C(N3N=CC(C(=O)[O-])=C3C(F)(F)F)C=C2)CCC1	REAL300001779513	0	47	0.0	-83.13	366.95	8.66	-74.47
CC(C)[N@H+](C)CC(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779516	0	46	0.0	-75.85	370.26	8.40	-67.45
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779516	1	46	0.0	-76.56	370.56	8.38	-68.18
CC[N@H+](CC(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1)C1CC1	REAL300001779520	0	47	0.0	-74.33	381.06	8.99	-65.34
CC[N@@H+](CC(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1)C1CC1	REAL300001779520	1	47	0.0	-75.71	381.52	9.22	-66.49
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779523	0	44	0.0	-74.20	361.66	8.14	-66.06
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779523	1	44	0.0	-77.60	355.94	7.74	-69.86
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300001779535	0	46	0.0	-77.51	375.07	6.89	-70.62
CC(C)[C@@H](C(=O)NC1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1)[NH+](C)C	REAL300001779537	0	49	0.0	-75.45	382.22	9.05	-66.40
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(N3N=CC(C(=O)[O-])=C3C(F)(F)F)C=C2)C1	REAL300001779659	0	47	0.0	-78.52	385.85	8.91	-69.61
C[N@@H+]1CCCC(C(=O)NC2=CC=C(N3N=CC(C(=O)[O-])=C3C(F)(F)F)C=C2)C1	REAL300001779666	0	47	0.0	-77.15	380.17	8.80	-68.35
C[N@H+]1CCCC(C(=O)NC2=CC=C(N3N=CC(C(=O)[O-])=C3C(F)(F)F)C=C2)C1	REAL300001779666	1	47	0.0	-71.39	374.26	9.02	-62.37
C[NH+](C)CC(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1	REAL300001779967	1	40	0.0	-75.53	335.77	7.20	-68.33
C[N@@H+]1CCCCC1C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1	REAL300001779968	0	47	0.0	-69.88	377.59	8.80	-61.08
C[N@H+]1CCCCC1C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1	REAL300001779968	1	47	0.0	-73.75	368.48	8.59	-65.16
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1	REAL300001779978	0	47	0.0	-74.88	377.71	8.80	-66.08
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1	REAL300001779978	1	47	0.0	-74.36	368.50	8.59	-65.77
C[NH+]1CCC(C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C(F)(F)F)=C2)CC1	REAL300001779989	0	47	0.0	-76.94	380.43	8.82	-68.12
C[N@@H+]1CCCC1C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1	REAL300001780011	0	44	0.0	-71.10	361.61	8.14	-62.96
C[N@H+]1CCCC1C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1	REAL300001780011	1	44	0.0	-71.45	362.12	8.25	-63.20
C[NH+]1CCC(C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C(F)(F)F)=C2)CC1	REAL300001780029	0	47	0.0	-76.94	380.43	8.82	-68.12
C[C@@H](C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1)[NH+](C)C	REAL300001780046	0	43	0.0	-72.09	354.08	7.62	-64.47
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1	REAL300001780047	0	44	0.0	-73.96	355.82	7.75	-66.21
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1	REAL300001780047	1	44	0.0	-70.64	360.60	8.23	-62.41
C[C@H](C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1)[NH+](C)C	REAL300001780051	0	43	0.0	-76.74	353.83	7.58	-69.16
C[NH+](C)C1(C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C(F)(F)F)=C2)CC1	REAL300001780058	1	44	0.0	-74.89	358.34	8.76	-66.13
C[N@@H+]1CCOC(C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C(F)(F)F)=C2)C1	REAL300001780096	1	45	0.0	-84.44	366.41	7.38	-77.06
C[N@H+]1CCOC(C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C(F)(F)F)=C2)C1	REAL300001780096	1	45	0.0	-89.22	373.80	7.55	-81.67
C[NH+](C)CC1(C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C(F)(F)F)=C2)CC1	REAL300001780102	0	47	0.0	-77.85	382.18	9.12	-68.73
C[NH+](C)CCCCC(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1	REAL300001780103	0	49	0.0	-75.12	401.13	9.33	-65.79
CC(C)C(C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1)[NH+](C)C	REAL300001780107	0	49	0.0	-72.16	386.37	9.19	-62.97
CCC[N@H+](C)CC(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1	REAL300001780110	0	46	0.0	-75.67	375.31	8.59	-67.08
CCC[N@@H+](C)CC(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1	REAL300001780110	1	46	0.0	-75.28	375.03	8.60	-66.68
C[N@H+](CC(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1)C1CCC1	REAL300001780113	0	47	0.0	-73.13	382.18	9.15	-63.98
C[N@@H+](CC(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1)C1CCC1	REAL300001780113	1	47	0.0	-73.01	382.04	9.18	-63.83
CC[C@@H](C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1)[NH+](C)C	REAL300001780117	0	46	0.0	-71.09	366.39	8.20	-62.89
CCCC(C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1)[NH+](C)C	REAL300001780138	0	49	0.0	-71.99	387.80	8.98	-63.01
C[C@@H]1[C@H](C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C(F)(F)F)=C2)CC[N@@H+]1C	REAL300001780141	0	47	0.0	-77.79	372.52	8.15	-69.64
C[C@@H]1[C@H](C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C(F)(F)F)=C2)CC[N@H+]1C	REAL300001780141	1	47	0.0	-80.18	378.12	8.55	-71.63
O=C([O-])C1=C(C(F)(F)F)N(C2=CC(NC(=O)C[NH+]3CCCC3)=CC=C2)N=C1	REAL300001780143	0	44	0.0	-77.37	359.82	8.22	-69.15
CC1=[NH+]C=CN1CC(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1	REAL300001780144	1	42	0.0	-70.41	365.51	8.79	-61.62
CC[NH+](CC)CC(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C(F)(F)F)=C1	REAL300001780160	0	46	0.0	-75.79	367.58	8.26	-67.53
O=C([O-])C1=C(C(F)(F)F)N(C2=CC=CC(NC(=O)C34CC[NH+](CC3)C4)=C2)N=C1	REAL300001780165	0	45	0.0	-80.38	367.75	7.70	-72.68
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CC1C[NH+](CC2=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C2)CC(C)O1	REAL300001783860	1	59	0.0	-84.32	454.93	10.21	-74.11
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O=C([O-])CCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300001783883	0	55	0.0	-68.89	420.62	10.98	-57.91
O=C([O-])CCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300001783883	1	55	0.0	-68.85	411.14	10.84	-58.01
CC1=C(C(=O)NCCCCCCC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300001783885	1	46	0.0	-80.86	376.10	7.68	-73.18
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C[NH+](C)CCC1=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C1	REAL300001783906	0	51	0.0	-83.22	402.58	10.18	-73.04
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O=C([O-])CCCCCCNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001783914	1	53	0.0	-78.38	409.00	9.70	-68.68
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCCCCCCC(=O)[O-]	REAL300001783920	0	62	0.0	-68.05	466.13	12.67	-55.38
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCCCCCCC(=O)[O-]	REAL300001783920	1	62	0.0	-66.72	458.94	12.39	-54.33
CC(C(=O)NCCCCCCC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001783928	0	61	0.0	-70.01	454.78	12.18	-57.83
CC(C(=O)NCCCCCCC(=O)[O-])[NH+]1CCSCC1	REAL300001783960	1	46	0.0	-71.78	356.16	7.72	-64.06
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCCCCCC(=O)[O-]	REAL300001783967	0	51	0.0	-75.01	401.07	10.28	-64.73
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCCCCCC(=O)[O-]	REAL300001783967	1	51	0.0	-74.99	401.07	10.28	-64.71
COCCOCC[N@H+](C)CCC(=O)NCCCCCCC(=O)[O-]	REAL300001783968	0	55	0.0	-74.31	430.07	6.45	-67.86
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C[N@@H+]1CCCC(O)(CC(=O)NCCCCCCC(=O)[O-])C1	REAL300001783971	0	49	0.0	-68.45	362.56	5.99	-62.46
C[N@H+]1CCCC(O)(CC(=O)NCCCCCCC(=O)[O-])C1	REAL300001783971	1	49	0.0	-67.99	372.24	6.19	-61.80
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CC(C)[NH+]1CCN(CCC(=O)NCCCCCCC(=O)[O-])CC1	REAL300001784017	0	56	0.0	-73.13	417.29	7.01	-66.12
CC(C)N1CC[NH+](CCC(=O)NCCCCCCC(=O)[O-])CC1	REAL300001784017	1	56	0.0	-74.27	413.60	6.81	-67.46
CC(C)[NH+]1CCN(CCCC(=O)NCCCCCCC(=O)[O-])CC1	REAL300001784018	0	59	0.0	-71.94	438.79	7.82	-64.12
CC(C)N1CC[NH+](CCCC(=O)NCCCCCCC(=O)[O-])CC1	REAL300001784018	1	59	0.0	-74.83	435.10	7.61	-67.22
C[NH+](C)CCN1C=C(C(=O)NCCCCCCC(=O)[O-])C=N1	REAL300001784020	0	48	0.0	-81.19	386.25	7.34	-73.85
CC1=CC=CC(N2CC[NH+](CCC(=O)NCCCCCCC(=O)[O-])CC2)=C1	REAL300001784025	0	60	0.0	-78.76	456.14	9.84	-68.92
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CC(C(=O)NCCCCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300001784036	1	52	0.0	-71.76	396.96	10.40	-61.36
CC(C(=O)NCCCCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300001784036	1	52	0.0	-71.82	396.98	10.41	-61.41
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CC(C[NH+]1CCOCC1)C(=O)NCCCCCCC(=O)[O-]	REAL300001784101	0	49	0.0	-68.16	372.63	6.70	-61.46
O=C([O-])CCCCCCNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300001784102	0	56	0.0	-78.52	432.46	8.59	-69.93
CN1C=CN=C1C[NH+]1CCC(C(=O)NCCCCCCC(=O)[O-])CC1	REAL300001784148	1	55	0.0	-84.29	419.46	9.28	-75.01
O=C([O-])CCCCCCNC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300001784149	0	55	0.0	-72.64	407.80	9.81	-62.83
O=C([O-])CCCCCCNC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300001784149	1	55	0.0	-72.47	406.58	9.71	-62.76
O=C([O-])CCCCCCNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300001784169	0	60	0.0	-78.38	455.59	9.90	-68.48
O=C([O-])CCCCCCNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300001784169	1	60	0.0	-74.60	454.33	9.97	-64.63
CC(C)(C[NH+]1CCOCC1)C(=O)NCCCCCCC(=O)[O-]	REAL300001784176	0	52	0.0	-69.73	382.73	6.93	-62.80
CC(C)[N@@H+]1CCC(C(=O)NCCCCCCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001784179	0	61	0.0	-76.66	451.80	9.57	-67.09
CC(C)[N@H+]1CCC(C(=O)NCCCCCCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001784179	1	61	0.0	-75.80	444.67	9.08	-66.72
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCCCCCCC(=O)[O-])C=N1	REAL300001784180	0	55	0.0	-79.63	409.85	7.98	-71.65
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCCCCCCC(=O)[O-])C=N1	REAL300001784180	1	55	0.0	-83.81	418.32	8.22	-75.59
C[NH+]1CCN(CC2=CC=CC(C(=O)NCCCCCCC(=O)[O-])=C2)CC1	REAL300001784186	0	57	0.0	-74.15	438.77	8.75	-65.40
C[NH+]1CCN(CC2=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C2)CC1	REAL300001784187	0	57	0.0	-79.49	437.83	8.57	-70.92
CN1CC[NH+](CC2=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C2)CC1	REAL300001784187	1	57	0.0	-82.21	438.16	8.63	-73.58
CC[NH+](CC)CCOC1=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C1	REAL300001784188	0	58	0.0	-78.64	445.08	10.45	-68.19
O=C([O-])CCCCCCNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001784290	0	59	0.0	-84.12	453.32	8.49	-75.63
C[NH+](C)CC1=CC=CC(C(=O)NCCCCCCC(=O)[O-])=C1	REAL300001784294	0	48	0.0	-76.34	380.14	9.33	-67.01
O=C([O-])CCCCCCNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001784295	0	55	0.0	-69.49	416.83	11.23	-58.26
O=C([O-])CCCCCCNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001784295	1	55	0.0	-72.85	423.03	11.03	-61.82
C[NH+](C)CC1=CC=CC=C1C(=O)NCCCCCCC(=O)[O-]	REAL300001784351	0	48	0.0	-62.40	373.02	9.59	-52.81
CC[NH+]1CCN(CCC(=O)NCCCCCCC(=O)[O-])CC1	REAL300001784353	0	53	0.0	-75.21	399.38	6.34	-68.87
CCN1CC[NH+](CCC(=O)NCCCCCCC(=O)[O-])CC1	REAL300001784353	1	53	0.0	-74.31	400.54	6.49	-67.82
CC(C)C(C(=O)NCCCCCCC(=O)[O-])[NH+]1CCCCC1	REAL300001784356	0	54	0.0	-65.85	390.97	9.30	-56.55
C[NH+](C)C(C(=O)NCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300001784357	1	48	0.0	-69.14	376.63	9.34	-59.80
O=C([O-])CCCCCCNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001784361	0	53	0.0	-72.54	414.93	7.26	-65.28
O=C([O-])CCCCCCNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001784361	1	53	0.0	-72.03	415.14	7.25	-64.78
CC(C)C1=[NH+]C=CN1CCC(=O)NCCCCCCC(=O)[O-]	REAL300001784366	1	49	0.0	-67.28	387.37	9.00	-58.28
C[NH+](C)CC1=C(C(=O)NCCCCCCC(=O)[O-])OC2=CC=CC=C21	REAL300001784367	0	51	0.0	-66.84	401.19	9.66	-57.18
O=C([O-])CCCCCCNC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300001784371	0	52	0.0	-70.47	377.97	9.20	-61.27
O=C([O-])CCCCCCNC(=O)C1CCC[N@H+]1C1CCCC1	REAL300001784371	1	52	0.0	-68.77	387.90	9.23	-59.54
CC(C)C(C(=O)NCCCCCCC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300001784395	1	58	0.0	-66.73	423.72	8.33	-58.40
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCCCCCCC(=O)[O-])=CC=C1N2	REAL300001784422	1	53	0.0	-80.81	414.88	9.77	-71.04
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCCCCCCC(=O)[O-])=CC=C1N2	REAL300001784422	1	53	0.0	-80.73	415.09	9.73	-71.00
CC[NH+](CC)CC1=CC=C(C(=O)NCCCCCCC(=O)[O-])O1	REAL300001784475	0	51	0.0	-77.25	402.13	9.03	-68.22
CC1=CC=C(N2CCC(C(=O)NCCCCCCC(=O)[O-])CC2)[NH+]=C1	REAL300001784476	1	54	0.0	-72.30	415.96	8.92	-63.38
C[N@H+](CC(=O)NCCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300001784477	1	48	0.0	-75.48	378.59	9.43	-66.05
C[N@@H+](CC(=O)NCCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300001784477	1	48	0.0	-75.50	378.60	9.43	-66.07
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C2)CC1	REAL300001784480	0	60	0.0	-80.56	448.10	9.68	-70.88
O=C([O-])CCCCCCNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300001784491	1	43	0.0	-80.19	361.24	7.28	-72.91
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCCCCCCC(=O)[O-]	REAL300001784525	0	55	0.0	-79.62	426.64	10.81	-68.81
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCCCCCCC(=O)[O-]	REAL300001784525	1	55	0.0	-75.33	423.93	10.88	-64.45
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCCCCCCC(=O)[O-])C=C1	REAL300001784543	0	56	0.0	-80.86	444.43	10.30	-70.56
C[NH+]1CCC(OCC(=O)NCCCCCCC(=O)[O-])CC1	REAL300001784558	0	49	0.0	-79.87	381.89	7.93	-71.94
O=C([O-])CCCCCCNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001784562	0	52	0.0	-79.18	408.09	9.53	-69.65
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCCCCCCC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300001784593	0	54	0.0	-76.83	415.93	9.06	-67.77
CC(C)(C)[N@H+]1C[C@H](C(=O)NCCCCCCC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300001784593	1	54	0.0	-72.52	414.82	9.11	-63.41
O=C([O-])CCCCCCNC(=O)C[NH+]1CCC(CO)CC1	REAL300001784753	0	49	0.0	-72.61	375.73	5.02	-67.59
O=C([O-])CCCCCCNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300001784838	0	56	0.0	-77.88	430.84	11.33	-66.55
O=C([O-])CCCCCCNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300001784838	1	56	0.0	-81.17	432.68	11.26	-69.91
O=C([O-])CCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300001784870	1	55	0.0	-70.05	427.02	11.06	-58.99
O=C([O-])CCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300001784870	1	55	0.0	-70.45	417.54	10.90	-59.55
C[N@@H+]1CC(C(=O)NCCCCCCC(=O)[O-])C(C(F)(F)F)C1	REAL300001784953	0	45	0.0	-78.64	356.33	7.55	-71.09
C[N@H+]1CC(C(=O)NCCCCCCC(=O)[O-])C(C(F)(F)F)C1	REAL300001784953	1	45	0.0	-77.63	358.23	7.66	-69.97
C[NH+](C)CCC1=CC=CC(C(=O)NCCCCCCC(=O)[O-])=C1	REAL300001785386	0	51	0.0	-77.63	402.58	10.16	-67.47
C[NH+](C)CCOC1=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C1	REAL300001785392	0	52	0.0	-81.20	409.88	9.12	-72.08
O=C([O-])CCCCCCNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001785471	0	58	0.0	-72.77	441.64	11.77	-61.00
CC1C[N@H+](CC2=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C2)CCO1	REAL300001785473	1	56	0.0	-83.65	427.44	9.49	-74.16
CC1C[N@@H+](CC2=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C2)CCO1	REAL300001785473	1	56	0.0	-83.75	427.50	9.50	-74.25
CC(C)C[N@@H+]1CCCC(C(=O)NCCCCCCC(=O)[O-])C1	REAL300001785557	0	54	0.0	-65.94	396.86	9.74	-56.20
CC(C)C[N@H+]1CCCC(C(=O)NCCCCCCC(=O)[O-])C1	REAL300001785557	1	54	0.0	-65.94	396.86	9.74	-56.20
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCCCCCC(=O)[O-])C1	REAL300001785565	0	54	0.0	-75.18	391.93	8.96	-66.22
C[N@H+]1CCCC(C(C)(C)C(=O)NCCCCCCC(=O)[O-])C1	REAL300001785565	1	54	0.0	-75.18	391.93	8.96	-66.22
CC(CN(C)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001786702	0	49	0.0	-77.79	364.25	10.32	-67.47
CC(CN(C)C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001787414	0	46	0.0	-68.72	349.63	9.81	-58.91
CC(CN(C)C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001787414	1	46	0.0	-62.26	345.17	9.40	-52.86
CC(CN(C)C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001788018	1	46	0.0	-72.58	367.16	10.38	-62.20
CC(CN(C)C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300001788018	1	46	0.0	-64.70	361.03	9.90	-54.80
CC(CN(C)C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300001788071	0	49	0.0	-65.34	364.99	10.16	-55.18
CC1=NC(C[NH+]2CCC(C(=O)N(C)CC(C)C(=O)[O-])CC2)=CS1	REAL300001788114	1	48	0.0	-78.05	373.56	8.09	-69.96
CC(CN(C)C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001788157	0	52	0.0	-76.57	401.32	10.08	-66.49
CC(CN(C)C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001788165	0	52	0.0	-85.23	401.41	12.01	-73.22
CC(CN(C)C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001788165	1	52	0.0	-77.06	400.54	12.01	-65.05
CC(CN(C)C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001788166	0	52	0.0	-69.27	372.55	10.39	-58.88
CC(CN(C)C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001788201	0	49	0.0	-71.67	374.47	10.00	-61.67
CC(CN(C)C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001788201	1	49	0.0	-72.80	374.19	9.94	-62.86
CC(CN(C)C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001788237	1	49	0.0	-69.67	360.66	10.07	-59.60
CC(CN(C)C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001788237	1	49	0.0	-67.31	370.51	10.48	-56.83
CC(CN(C)C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001788238	1	46	0.0	-72.95	356.01	9.90	-63.05
CC(CN(C)C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300001788238	1	46	0.0	-65.50	350.70	9.45	-56.05
CC(CN(C)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300001788278	0	42	0.0	-80.11	333.92	7.60	-72.51
CC(CN(C)C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300001788283	0	52	0.0	-83.41	403.39	9.71	-73.70
CC(CN(C)C(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300001788306	0	50	0.0	-64.07	343.72	7.06	-57.01
CC[N@H+](CC1=CC=C(C(=O)N(C)CC(C)C(=O)[O-])C=C1)C(C)C	REAL300001788321	0	51	0.0	-79.47	370.92	9.94	-69.53
CC[N@@H+](CC1=CC=C(C(=O)N(C)CC(C)C(=O)[O-])C=C1)C(C)C	REAL300001788321	1	51	0.0	-84.10	366.14	9.92	-74.18
CC(CN(C)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001788341	0	46	0.0	-71.75	347.84	9.57	-62.18
CC(CN(C)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001788341	1	46	0.0	-72.36	349.79	9.65	-62.71
CC(CN(C)C(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300001788342	0	47	0.0	-83.55	348.61	9.02	-74.53
CC(CN(C)C(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300001788360	1	51	0.0	-62.77	374.17	7.63	-55.14
CC(CN(C)C(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300001788361	0	50	0.0	-70.94	343.98	7.19	-63.75
CC(CN(C)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001788369	0	52	0.0	-76.27	387.04	11.12	-65.15
CC(CN(C)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001788369	1	52	0.0	-66.45	381.72	11.32	-55.13
CC(CN(C)C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300001788406	1	50	0.0	-63.44	371.20	7.10	-56.34
CC[NH+](CC)C(C(=O)N(C)CC(C)C(=O)[O-])C1=CC=CC=C1	REAL300001788411	0	48	0.0	-62.00	341.27	9.42	-52.58
CC(CN(C)C(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300001788412	1	42	0.0	-68.81	337.40	9.11	-59.70
CC(CN(C)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300001788424	0	46	0.0	-83.61	347.03	9.54	-74.07
CC(CN(C)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300001788429	0	49	0.0	-72.96	366.27	10.28	-62.68
CCN1CCC([NH+]2CCC(C(=O)N(C)CC(C)C(=O)[O-])CC2)CC1	REAL300001788435	0	57	0.0	-74.10	394.07	7.80	-66.30
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300001788437	0	59	0.0	-75.03	443.64	13.81	-61.22
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300001788437	1	59	0.0	-78.47	446.52	13.72	-64.75
CC(CN(C)C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300001788441	1	53	0.0	-83.61	397.50	9.30	-74.31
CC(CN(C)C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001788451	1	50	0.0	-81.76	375.68	9.79	-71.97
CC(CN(C)C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001788451	1	50	0.0	-79.29	382.40	9.84	-69.45
CC(CN(C)C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001788466	0	49	0.0	-66.04	354.16	10.01	-56.03
CC(CN(C)C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300001788466	1	49	0.0	-65.27	365.52	10.47	-54.80
CC1=C(C(=O)N(C)CC(C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300001788467	1	40	0.0	-80.68	324.41	6.90	-73.78
CC(CN(C)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300001788474	0	49	0.0	-79.99	363.93	10.24	-69.75
CC(CN(C)C(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001788484	0	59	0.0	-71.51	439.57	13.72	-57.79
CC(CN(C)C(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300001788484	1	59	0.0	-74.24	437.53	13.21	-61.03
CC(CN(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001788489	1	47	0.0	-84.10	358.12	9.18	-74.92
CC(CN(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001788489	1	47	0.0	-77.37	359.29	9.12	-68.25
CC(CN(C)C(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300001788493	0	56	0.0	-64.83	407.35	11.80	-53.03
CC(CN(C)C(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300001788493	1	56	0.0	-63.12	413.96	10.93	-52.19
CC(CN(C)C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001788501	0	55	0.0	-68.97	405.00	11.79	-57.18
COCCOCC[N@H+](C)CCC(=O)N(C)CC(C)C(=O)[O-]	REAL300001788522	0	49	0.0	-70.69	375.38	5.97	-64.72
COCCOCC[N@@H+](C)CCC(=O)N(C)CC(C)C(=O)[O-]	REAL300001788522	1	49	0.0	-75.15	377.35	6.02	-69.13
CC(CN(C)C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001788531	0	54	0.0	-76.15	402.42	9.51	-66.64
CC(CN(C)C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300001788532	1	48	0.0	-69.96	349.18	8.28	-61.68
CC(CN(C)C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300001788532	1	48	0.0	-72.99	353.88	8.41	-64.58
CC(CN(C)C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300001788533	1	48	0.0	-68.63	348.02	8.12	-60.51
CC(CN(C)C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300001788533	1	48	0.0	-68.19	355.60	8.53	-59.66
CC(C)[NH+]1CCN(CCCC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300001788551	0	53	0.0	-69.40	384.97	7.35	-62.05
CC(C)N1CC[NH+](CCCC(=O)N(C)CC(C)C(=O)[O-])CC1	REAL300001788551	1	53	0.0	-71.98	380.41	7.12	-64.86
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)CC(C)C(=O)[O-])CC2)=C1	REAL300001788555	0	54	0.0	-74.77	401.45	9.35	-65.42
CC(CN(C)C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001788556	0	51	0.0	-75.14	380.93	8.72	-66.42
CC(CN(C)C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001788559	0	48	0.0	-73.69	360.96	8.62	-65.07
CC(CN(C)C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001788559	1	48	0.0	-75.32	361.65	8.50	-66.82
CC(CN(C)C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300001788562	0	46	0.0	-66.13	341.84	9.66	-56.47
CC(CN(C)C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300001788562	1	46	0.0	-68.78	338.59	9.57	-59.21
CCC(CC)C(C(=O)N(C)CC(C)C(=O)[O-])[NH+]1CCOCC1	REAL300001788571	1	52	0.0	-65.84	356.28	7.34	-58.50
CC(CN(C)C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001788585	0	49	0.0	-76.04	373.26	10.59	-65.45
CC(CN(C)C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001788585	1	49	0.0	-79.04	373.57	10.59	-68.45
CC(CN(C)C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001788601	0	49	0.0	-74.21	367.11	10.64	-63.57
CC(CN(C)C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001788601	1	49	0.0	-75.51	373.20	10.41	-65.10
CC(CN(C)C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300001788602	1	45	0.0	-62.07	337.70	7.80	-54.27
CC(CN(C)C(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300001788602	1	45	0.0	-69.33	346.52	8.02	-61.31
CC(CN(C)C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001788604	0	50	0.0	-74.69	377.77	8.10	-66.59
CC(CN(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001788637	0	54	0.0	-75.12	399.81	9.38	-65.74
CC(CN(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300001788637	1	54	0.0	-77.42	397.69	9.33	-68.09
CC(C)[N@@H+]1CCC(C(=O)N(C)CC(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001788639	0	55	0.0	-71.27	394.29	9.08	-62.19
CC(C)[N@H+]1CCC(C(=O)N(C)CC(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001788639	1	55	0.0	-79.33	394.34	8.56	-70.77
CC(CN(C)C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300001788640	0	49	0.0	-82.10	361.43	7.55	-74.55
CC(CN(C)C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300001788640	1	49	0.0	-76.50	353.64	7.36	-69.14
CC(CN(C)C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300001788643	0	51	0.0	-70.74	383.38	7.85	-62.89
CC(CN(C)C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300001788644	0	51	0.0	-82.65	381.66	7.74	-74.91
CC(CN(C)C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300001788644	1	51	0.0	-80.98	381.62	7.75	-73.23
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300001788645	0	52	0.0	-76.91	387.46	9.56	-67.35
CC(CN(C)C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001788681	0	53	0.0	-87.86	396.35	7.62	-80.24
CC(CN(C)C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001788683	0	49	0.0	-68.48	359.28	10.44	-58.04
CC(CN(C)C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001788683	1	49	0.0	-67.61	359.18	10.53	-57.08
CC(CN(C)C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001788728	0	47	0.0	-70.83	358.62	6.60	-64.23
CC(CN(C)C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001788728	1	47	0.0	-69.51	358.34	6.71	-62.80
CC(CN(C)C(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300001788731	0	45	0.0	-58.99	345.26	9.20	-49.79
CC[NH+](CC)C(C(=O)N(C)CC(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300001788733	0	51	0.0	-68.11	383.79	10.60	-57.51
CC(CN(C)C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1)C(=O)[O-]	REAL300001788755	1	47	0.0	-60.96	353.02	9.95	-51.01
CC(C)C(C(=O)N(C)CC(C)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300001788756	1	52	0.0	-61.78	368.06	7.79	-53.99
CC(CN(C)C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001788774	1	47	0.0	-84.39	359.67	8.87	-75.52
CC(CN(C)C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001788774	1	47	0.0	-87.92	360.37	8.87	-79.05
CC1=CC=C(N2CCC(C(=O)N(C)CC(C)C(=O)[O-])CC2)[NH+]=C1	REAL300001788818	1	48	0.0	-70.67	357.19	8.16	-62.51
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)CC(C)C(=O)[O-])C=C2)CC1	REAL300001788821	0	54	0.0	-79.67	391.61	8.82	-70.85
CC(CN(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001788849	0	49	0.0	-74.06	369.74	10.44	-63.62
CC(CN(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001788849	1	49	0.0	-72.29	367.27	10.53	-61.76
CC(CN(C)C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001788863	0	50	0.0	-79.79	389.77	9.83	-69.96
CC(CN(C)C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300001788875	0	46	0.0	-80.61	352.01	9.13	-71.48
CC(CN(C)C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001788894	0	48	0.0	-72.93	361.91	8.51	-64.42
CC(CN(C)C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300001788894	1	48	0.0	-67.81	359.35	8.36	-59.45
CC(CN(C)C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001789046	0	50	0.0	-78.30	373.69	10.62	-67.68
CC(CN(C)C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300001789046	1	50	0.0	-76.34	374.87	10.57	-65.77
CC(CN(C)C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001789073	1	49	0.0	-63.31	371.31	10.45	-52.86
CC(CN(C)C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300001789073	1	49	0.0	-68.65	367.13	10.37	-58.28
CC(CN(C)C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001789403	0	46	0.0	-78.45	352.50	8.22	-70.23
CC(CN(C)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001789452	0	52	0.0	-71.82	388.07	11.30	-60.52
CC(CN(C)C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001789454	1	50	0.0	-86.38	373.44	8.69	-77.69
CC(CN(C)C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001789454	1	50	0.0	-82.62	372.11	8.60	-74.02
CC(CN(C)C(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001789492	0	58	0.0	-86.02	421.91	11.61	-74.41
CC(CN(C)C(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300001789492	1	58	0.0	-86.02	421.91	11.61	-74.41
O=C([O-])CCCCCCNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001790833	0	55	0.0	-79.62	422.75	11.02	-68.60
O=C([O-])CCCCCCNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300001791610	0	52	0.0	-70.71	407.22	10.56	-60.15
O=C([O-])CCCCCCNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300001791610	1	52	0.0	-68.92	399.83	9.97	-58.95
O=C([O-])CCCCCCNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300001792412	1	52	0.0	-74.34	423.57	11.06	-63.28
O=C([O-])CCCCCCNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300001792412	1	52	0.0	-72.08	416.47	10.48	-61.60
CC1=[NH+]C=C2CCC(C(=O)NCCCCCCC(=O)[O-])CN21	REAL300001792504	1	47	0.0	-67.37	370.28	8.61	-58.76
O=C([O-])CCCCCCNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300001792505	0	55	0.0	-70.12	417.57	10.52	-59.60
CC1=NC(C[NH+]2CCC(C(=O)NCCCCCCC(=O)[O-])CC2)=CS1	REAL300001792570	1	54	0.0	-78.93	430.47	8.83	-70.10
C[NH+](C)CCOC1=CC=C(CCC(=O)NCCCCCCC(=O)[O-])C=C1	REAL300001792648	0	58	0.0	-78.42	456.00	10.60	-67.82
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCCCCCC(=O)[O-])=C1	REAL300001792662	0	58	0.0	-80.27	456.79	12.91	-67.36
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCCCCCC(=O)[O-])=C1	REAL300001792662	1	58	0.0	-79.71	456.80	12.92	-66.79
CC1(C(=O)NCCCCCCC(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300001792663	0	58	0.0	-71.75	435.68	11.48	-60.27
C[NH+](C)CC1(C(=O)NCCCCCCC(=O)[O-])CCCCC1	REAL300001792746	0	54	0.0	-74.50	386.60	9.50	-65.00
C[N@H+](CCC(=O)NCCCCCCC(=O)[O-])C1CCCCC1	REAL300001792749	0	54	0.0	-74.44	400.34	9.42	-65.02
C[N@@H+](CCC(=O)NCCCCCCC(=O)[O-])C1CCCCC1	REAL300001792749	1	54	0.0	-74.44	400.35	9.44	-65.00
O=C([O-])CCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300001792773	1	55	0.0	-73.17	417.60	10.91	-62.26
O=C([O-])CCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300001792773	1	55	0.0	-73.20	426.98	11.05	-62.15
O=C([O-])CCCCCCNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300001792774	1	52	0.0	-75.37	413.25	10.60	-64.77
O=C([O-])CCCCCCNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300001792774	1	52	0.0	-72.94	406.14	10.02	-62.92
O=C([O-])CCCCCCNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300001792828	0	48	0.0	-77.66	391.09	8.46	-69.20
C[NH+](C)CCN1N=CC(C(=O)NCCCCCCC(=O)[O-])=C1C1=CC=CC=C1	REAL300001792833	0	58	0.0	-80.60	455.21	10.59	-70.01
O=C([O-])CCCCCCNC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300001792859	0	55	0.0	-65.91	398.81	9.61	-56.30
O=C([O-])CCCCCCNC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300001792859	1	55	0.0	-65.82	399.47	9.66	-56.16
O=C([O-])CCCCCCNC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300001792860	0	56	0.0	-79.12	413.65	8.11	-71.01
O=C([O-])CCCCCCNC(=O)CCCC[NH+]1CCOCC1	REAL300001792888	1	52	0.0	-77.68	400.20	7.44	-70.24
CC[N@H+](CC1=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C1)C(C)C	REAL300001792890	0	57	0.0	-78.28	428.63	10.93	-67.35
CC[N@@H+](CC1=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C1)C(C)C	REAL300001792890	1	57	0.0	-78.07	419.43	10.51	-67.56
O=C([O-])CCCCCCNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001792914	0	52	0.0	-73.81	407.63	10.38	-63.43
O=C([O-])CCCCCCNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001792914	1	52	0.0	-75.22	405.49	10.26	-64.96
O=C([O-])CCCCCCNC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001792915	0	53	0.0	-81.63	401.76	9.48	-72.15
C[NH+]1CCN(C(C(=O)NCCCCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300001792938	1	57	0.0	-71.56	435.35	9.13	-62.43
O=C([O-])CCCCCCNC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300001792939	0	56	0.0	-74.00	399.26	7.74	-66.26
CC(C(=O)NCCCCCCC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300001792942	0	51	0.0	-71.64	396.89	9.84	-61.80
CC(C(=O)NCCCCCCC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300001792942	1	51	0.0	-72.50	396.71	9.81	-62.69
O=C([O-])CCCCCCNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001792952	0	58	0.0	-68.82	439.32	12.10	-56.72
O=C([O-])CCCCCCNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001792952	1	58	0.0	-77.10	445.59	11.89	-65.21
C[NH+](C)CC1=CC=C(C(=O)NCCCCCCC(=O)[O-])C=N1	REAL300001792983	0	47	0.0	-78.82	375.89	7.47	-71.35
CCC[NH+](CCC)CCCC(=O)NCCCCCCC(=O)[O-]	REAL300001792994	0	56	0.0	-73.84	424.49	10.05	-63.79
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CC[NH+](CC)CCOC1=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C1	REAL300001793369	0	58	0.0	-78.64	445.08	10.45	-68.19
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CCN1CC[NH+](CCC(=O)NCCCCCCC(=O)[O-])CC1	REAL300001793534	1	53	0.0	-74.31	400.54	6.49	-67.82
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CC(C)C1=[NH+]C=CN1CCC(=O)NCCCCCCC(=O)[O-]	REAL300001793547	1	49	0.0	-67.28	387.37	9.00	-58.28
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CC(C)C(C(=O)NCCCCCCC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300001793576	1	58	0.0	-66.73	423.72	8.33	-58.40
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CC[NH+](CC)CC1=CC=C(C(=O)NCCCCCCC(=O)[O-])O1	REAL300001793656	0	51	0.0	-77.25	402.13	9.03	-68.22
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C[N@H+](CC(=O)NCCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300001793658	1	48	0.0	-75.48	378.59	9.43	-66.05
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CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C2)CC1	REAL300001793661	0	60	0.0	-80.56	448.10	9.68	-70.88
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CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCCCCCCC(=O)[O-]	REAL300001793706	1	55	0.0	-75.33	423.93	10.88	-64.45
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CC(C)(C)[N@H+]1C[C@H](C(=O)NCCCCCCC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300001793774	1	54	0.0	-72.52	414.82	9.11	-63.41
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C[N@@H+]1CC(C(=O)NCCCCCCC(=O)[O-])C(C(F)(F)F)C1	REAL300001794134	0	45	0.0	-78.64	356.33	7.55	-71.09
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C[NH+](C)CCC1=CC=CC(C(=O)NCCCCCCC(=O)[O-])=C1	REAL300001794567	0	51	0.0	-77.63	402.58	10.16	-67.47
C[NH+](C)CCOC1=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C1	REAL300001794573	0	52	0.0	-81.20	409.88	9.12	-72.08
O=C([O-])CCCCCCNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001794652	0	58	0.0	-72.77	441.64	11.77	-61.00
CC1C[N@H+](CC2=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C2)CCO1	REAL300001794654	1	56	0.0	-83.65	427.44	9.49	-74.16
CC1C[N@@H+](CC2=CC=C(C(=O)NCCCCCCC(=O)[O-])C=C2)CCO1	REAL300001794654	1	56	0.0	-83.75	427.50	9.50	-74.25
CC(C)C[N@@H+]1CCCC(C(=O)NCCCCCCC(=O)[O-])C1	REAL300001794738	0	54	0.0	-65.94	396.86	9.74	-56.20
CC(C)C[N@H+]1CCCC(C(=O)NCCCCCCC(=O)[O-])C1	REAL300001794738	1	54	0.0	-65.94	396.86	9.74	-56.20
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCCCCCC(=O)[O-])C1	REAL300001794746	0	54	0.0	-75.18	391.93	8.96	-66.22
C[N@H+]1CCCC(C(C)(C)C(=O)NCCCCCCC(=O)[O-])C1	REAL300001794746	1	54	0.0	-75.18	391.93	8.96	-66.22
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCN(C(=O)C3CCC[N@H+]3C)CC2)=C(C)O1	REAL300001794879	0	52	0.0	-66.80	397.25	6.54	-60.26
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCN(C(=O)C3CCC[N@@H+]3C)CC2)=C(C)O1	REAL300001794879	1	52	0.0	-66.80	397.25	6.54	-60.26
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)=C(C)O1	REAL300001794898	0	52	0.0	-80.33	396.63	6.40	-73.93
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)=C(C)O1	REAL300001794898	1	52	0.0	-80.33	396.63	6.40	-73.93
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)=C(C)O1	REAL300001794929	0	52	0.0	-83.30	401.04	6.75	-76.55
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)=C(C)O1	REAL300001794944	0	52	0.0	-66.55	393.70	6.14	-60.41
CC1=C(C(=O)[O-])C(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)=C(C)O1	REAL300001794944	1	52	0.0	-66.55	393.70	6.14	-60.41
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300001796170	0	56	0.0	-84.03	423.09	12.35	-71.68
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1	REAL300001796849	0	53	0.0	-68.94	400.04	11.25	-57.69
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1	REAL300001796849	1	53	0.0	-72.85	401.98	11.27	-61.58
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C1	REAL300001797778	0	50	0.0	-77.89	371.66	9.97	-67.92
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=C1	REAL300001797807	0	47	0.0	-70.08	352.76	8.98	-61.10
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@H+]2C2CC2)C=C1	REAL300001797807	1	47	0.0	-73.59	354.83	9.01	-64.58
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C(C)(C)C(=O)[O-])C=C3)CN21	REAL300001797813	1	48	0.0	-70.11	372.13	9.90	-60.21
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=C1	REAL300001797814	0	56	0.0	-71.75	417.68	11.82	-59.93
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001797896	1	46	0.0	-70.61	335.09	8.54	-62.07
C[N@H+]1CCCCC1C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001797896	1	46	0.0	-71.19	334.92	8.52	-62.67
CC(C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300001797897	1	51	0.0	-75.30	377.54	6.99	-68.31
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001797941	1	46	0.0	-68.29	344.10	8.72	-59.57
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001797941	1	46	0.0	-71.41	336.67	8.56	-62.85
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300001797988	0	59	0.0	-80.95	458.23	11.90	-69.05
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300001798000	0	59	0.0	-76.21	435.96	12.75	-63.46
C[NH+]1CCC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300001798034	0	46	0.0	-81.09	348.58	8.80	-72.29
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1	REAL300001798060	0	41	0.0	-73.77	334.42	10.66	-63.11
C[NH+](C)CC1(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CCCCC1	REAL300001798094	0	55	0.0	-78.63	384.55	10.56	-68.07
C[N@H+](CCC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1CCCCC1	REAL300001798099	0	55	0.0	-77.36	402.63	10.74	-66.62
C[N@@H+](CCC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1CCCCC1	REAL300001798099	1	55	0.0	-77.45	400.88	10.71	-66.74
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C=C1	REAL300001798117	1	56	0.0	-77.03	429.30	12.37	-64.66
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C=C1	REAL300001798117	1	56	0.0	-73.69	429.01	12.37	-61.32
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C=C1	REAL300001798118	1	53	0.0	-73.11	406.41	11.29	-61.82
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C=C1	REAL300001798118	1	53	0.0	-76.58	407.80	11.34	-65.24
C[NH+]1CCC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300001798170	0	46	0.0	-81.09	348.58	8.80	-72.29
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C1	REAL300001798175	0	49	0.0	-76.48	393.64	9.78	-66.70
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1	REAL300001798199	0	56	0.0	-68.66	399.75	10.87	-57.79
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1	REAL300001798199	1	56	0.0	-66.24	401.33	11.00	-55.24
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C1	REAL300001798200	0	57	0.0	-83.14	415.91	9.42	-73.72
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798233	1	47	0.0	-73.36	373.45	10.01	-63.35
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C=C1	REAL300001798234	1	53	0.0	-80.04	402.49	8.74	-71.30
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1)C(C)C	REAL300001798237	0	58	0.0	-78.39	420.58	11.87	-66.52
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1)C(C)C	REAL300001798237	1	58	0.0	-76.85	421.67	11.84	-65.01
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001798285	0	53	0.0	-75.22	406.81	11.59	-63.63
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001798285	1	53	0.0	-77.17	409.00	11.66	-65.51
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C=C1	REAL300001798286	0	54	0.0	-83.95	401.83	10.75	-73.20
C[NH+]1CCN(C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C2=CC=CC=C2)CC1	REAL300001798314	1	58	0.0	-74.11	436.31	10.43	-63.68
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C1	REAL300001798315	0	57	0.0	-76.05	397.16	8.82	-67.23
CCC(C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)[NH+](CC)CC	REAL300001798319	0	51	0.0	-68.01	369.55	9.48	-58.53
CC(C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001798321	0	52	0.0	-76.48	396.97	11.10	-65.38
CC(C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001798321	1	52	0.0	-76.17	398.82	11.15	-65.02
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C=C1	REAL300001798333	0	59	0.0	-70.89	439.80	13.39	-57.50
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C=C1	REAL300001798333	1	59	0.0	-70.13	441.40	13.38	-56.75
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300001798356	0	48	0.0	-82.48	378.16	9.17	-73.31
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798365	0	57	0.0	-76.87	421.71	11.08	-65.79
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C=C1	REAL300001798366	1	57	0.0	-74.82	432.36	9.10	-65.72
CC[N@H+](C)C(C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001798367	1	52	0.0	-70.86	396.74	11.31	-59.55
CC[N@@H+](C)C(C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001798367	1	52	0.0	-67.65	396.44	11.31	-56.34
C[N@@H+]1CCOC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001798369	1	44	0.0	-80.72	341.93	7.52	-73.20
C[N@H+]1CCOC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001798369	1	44	0.0	-85.82	341.06	7.53	-78.29
CC[NH+](CC)C(C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001798372	0	55	0.0	-73.54	402.80	11.40	-62.14
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798381	1	47	0.0	-69.34	368.12	9.85	-59.49
C[NH+](C)C(C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=CC=C(Cl)C=C1	REAL300001798386	1	49	0.0	-75.28	395.34	11.17	-64.11
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1	REAL300001798399	0	53	0.0	-84.73	405.16	11.76	-72.97
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=C1	REAL300001798407	0	56	0.0	-75.11	423.97	12.49	-62.62
C[NH+](C)CC1(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300001798414	0	46	0.0	-71.31	354.77	8.89	-62.42
C[NH+](C)CCCCC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798424	0	48	0.0	-78.16	367.84	9.26	-68.90
CC(C)C(C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)[NH+](C)C	REAL300001798433	0	48	0.0	-71.61	346.15	8.64	-62.97
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300001798435	1	57	0.0	-86.88	430.02	11.53	-75.35
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300001798435	1	57	0.0	-84.93	436.54	11.57	-73.36
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=C1	REAL300001798447	0	56	0.0	-70.95	411.53	12.08	-58.87
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=C1	REAL300001798447	1	56	0.0	-73.28	422.62	12.30	-60.98
CC1=C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300001798449	1	47	0.0	-80.28	376.39	8.99	-71.29
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1	REAL300001798457	0	56	0.0	-85.16	423.66	12.51	-72.65
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1	REAL300001798471	1	49	0.0	-79.00	387.65	9.25	-69.75
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300001798472	0	52	0.0	-87.16	404.59	11.49	-75.67
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300001798486	1	54	0.0	-77.85	409.17	10.88	-66.97
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300001798486	1	54	0.0	-84.14	410.93	10.92	-73.22
C[N@H+](CC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1CCC1	REAL300001798517	0	46	0.0	-71.82	348.57	9.09	-62.73
C[N@@H+](CC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1CCC1	REAL300001798517	1	46	0.0	-73.00	348.44	9.13	-63.87
C[N@H+](CC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)CC(C)(C)C	REAL300001798549	0	51	0.0	-73.89	372.73	9.67	-64.22
C[N@@H+](CC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)CC(C)(C)C	REAL300001798549	1	51	0.0	-75.05	372.21	9.68	-65.37
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798551	0	52	0.0	-78.83	403.09	11.61	-67.22
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798551	1	52	0.0	-78.44	403.09	11.61	-66.83
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798552	0	56	0.0	-76.50	430.63	7.72	-68.78
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798552	1	56	0.0	-78.38	430.66	7.74	-70.64
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001798557	0	50	0.0	-71.26	362.88	7.19	-64.07
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001798557	1	50	0.0	-68.83	372.58	7.39	-61.44
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C=C1	REAL300001798578	1	55	0.0	-75.23	406.49	10.33	-64.90
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C=C1	REAL300001798578	1	55	0.0	-75.10	406.70	10.36	-64.74
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798581	0	54	0.0	-76.11	407.68	10.93	-65.18
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798581	1	54	0.0	-76.75	407.68	10.93	-65.82
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C23CCC[NH+]2CCC3)C=C1	REAL300001798591	0	47	0.0	-69.75	347.24	9.08	-60.67
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C1	REAL300001798599	1	41	0.0	-77.88	332.63	10.64	-67.24
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CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C=C1	REAL300001798634	1	50	0.0	-68.54	360.29	9.70	-58.84
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CC(C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001798653	1	53	0.0	-72.31	402.52	11.53	-60.78
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CCCC(C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)[NH+](C)C	REAL300001798674	0	48	0.0	-74.69	358.63	9.07	-65.62
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001798676	0	56	0.0	-78.74	428.00	12.31	-66.43
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001798676	1	56	0.0	-78.77	429.30	12.40	-66.37
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=N1	REAL300001798691	0	49	0.0	-89.11	386.88	8.63	-80.48
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798692	0	49	0.0	-67.73	383.94	8.64	-59.09
C[C@@H]1[C@H](C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC[N@@H+]1C	REAL300001798698	0	46	0.0	-78.18	340.79	8.12	-70.06
C[C@@H]1[C@H](C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC[N@H+]1C	REAL300001798698	1	46	0.0	-76.89	347.00	8.39	-68.50
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798700	1	50	0.0	-68.03	390.20	10.35	-57.68
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC[N@@H+]1C	REAL300001798703	0	49	0.0	-75.70	359.44	8.75	-66.95
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC[N@H+]1C	REAL300001798703	1	49	0.0	-73.21	362.39	9.37	-63.84
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=NN1	REAL300001798706	1	50	0.0	-79.58	389.77	8.24	-71.34
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=NN1	REAL300001798706	1	50	0.0	-81.54	388.70	8.18	-73.36
C#CC[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798707	1	45	0.0	-72.26	350.65	8.92	-63.34
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798707	1	45	0.0	-72.38	356.23	9.46	-62.92
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)O1	REAL300001798715	1	47	0.0	-84.64	355.55	8.23	-76.41
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)O1	REAL300001798715	1	47	0.0	-86.89	355.02	7.83	-79.06
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C=C1	REAL300001798721	0	56	0.0	-79.51	431.77	12.42	-67.09
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C=C1	REAL300001798721	1	56	0.0	-73.50	423.51	12.55	-60.95
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C=C1	REAL300001798722	1	52	0.0	-69.12	396.79	9.65	-59.47
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C=C1	REAL300001798722	1	52	0.0	-78.37	401.88	9.97	-68.40
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798726	1	41	0.0	-71.35	333.38	8.79	-62.56
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798728	0	50	0.0	-76.50	373.60	7.83	-68.67
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C=C1	REAL300001798729	0	57	0.0	-81.97	434.51	9.91	-72.06
CC1CC[NH+](CC(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300001798741	0	49	0.0	-75.50	366.52	9.65	-65.85
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001798755	1	47	0.0	-72.85	352.36	8.00	-64.85
CC[N@H+]1CCOC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001798755	1	47	0.0	-83.71	358.86	8.17	-75.54
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CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C1	REAL300001798795	0	56	0.0	-75.53	409.46	11.08	-64.45
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C=C1	REAL300001798795	1	56	0.0	-77.26	407.50	10.98	-66.28
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798802	0	49	0.0	-75.24	363.57	9.13	-66.11
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798802	1	49	0.0	-74.18	364.41	9.14	-65.04
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C23CCC[NH+](CCC2)C3)C=C1	REAL300001798814	0	50	0.0	-75.90	361.46	9.34	-66.56
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798817	1	47	0.0	-72.98	349.96	5.27	-67.71
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798817	1	47	0.0	-76.80	348.66	5.46	-71.34
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=C1	REAL300001798818	0	50	0.0	-66.46	371.94	10.11	-56.35
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C=C1	REAL300001798818	1	50	0.0	-71.40	364.70	9.65	-61.75
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798825	0	53	0.0	-73.71	384.94	8.22	-65.49
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CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300001798837	0	59	0.0	-79.73	441.73	11.46	-68.27
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300001798845	0	52	0.0	-77.94	379.24	9.75	-68.19
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C23CC[NH+](CC2)C3)C=C1	REAL300001798926	0	44	0.0	-78.30	335.45	7.71	-70.59
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C23CC[N@H+](C2)CCC3)C=C1	REAL300001798936	0	47	0.0	-77.38	345.53	8.39	-68.99
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C23CC[N@@H+](C2)CCC3)C=C1	REAL300001798936	1	47	0.0	-76.30	344.49	8.33	-67.97
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001798990	0	49	0.0	-70.84	361.24	9.15	-61.69
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300001798991	0	49	0.0	-79.13	380.35	10.61	-68.52
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001798992	0	56	0.0	-71.39	418.91	12.51	-58.88
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001798992	1	56	0.0	-72.39	418.84	12.51	-59.88
C[NH+](C)C1(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CCC1	REAL300001799031	0	46	0.0	-75.65	333.31	8.59	-67.06
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300001799065	0	48	0.0	-80.80	371.26	9.93	-70.87
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001799067	0	52	0.0	-67.56	383.56	10.09	-57.47
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001799067	1	52	0.0	-70.68	375.86	9.95	-60.73
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001799068	0	49	0.0	-62.77	373.07	10.83	-51.94
CC[NH+]1CCN(CCC(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300001799070	0	54	0.0	-77.69	402.33	7.77	-69.92
CCN1CC[NH+](CCC(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300001799070	1	54	0.0	-76.96	402.83	7.80	-69.16
CC(C)C(C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)[NH+]1CCCCC1	REAL300001799072	0	55	0.0	-69.62	389.37	10.92	-58.70
C[NH+](C)C(C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001799073	1	49	0.0	-72.25	378.95	10.64	-61.61
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001799077	0	54	0.0	-74.40	415.50	8.54	-65.86
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001799077	1	54	0.0	-75.27	417.86	8.61	-66.66
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001799083	1	50	0.0	-69.34	387.89	10.27	-59.07
C[NH+](C)CC1=C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)OC2=CC=CC=C21	REAL300001799084	0	52	0.0	-67.66	409.55	11.00	-56.66
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1	REAL300001799089	0	53	0.0	-71.15	380.44	10.26	-60.89
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1	REAL300001799089	1	53	0.0	-74.54	383.22	10.44	-64.10
CC[N@H+](CC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1CC1	REAL300001799091	0	46	0.0	-70.15	350.49	9.13	-61.02
CC[N@@H+](CC(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1CC1	REAL300001799091	1	46	0.0	-68.63	348.75	8.95	-59.68
CC(C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1)[NH+]1CCCCCC1	REAL300001799122	0	52	0.0	-68.67	373.28	9.90	-58.77
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CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C=C1	REAL300001799216	0	52	0.0	-77.33	395.28	10.48	-66.85
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CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001799297	1	49	0.0	-69.57	354.43	9.22	-60.35
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300001799305	0	57	0.0	-81.86	446.71	11.61	-70.25
C[NH+]1CCC(OCC(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300001799324	0	50	0.0	-83.08	382.16	9.11	-73.97
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1	REAL300001799329	0	53	0.0	-82.77	410.09	10.86	-71.91
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001799528	0	52	0.0	-74.91	385.74	10.13	-64.78
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001799528	1	52	0.0	-67.05	379.75	10.31	-56.74
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001799560	0	52	0.0	-68.67	388.09	10.29	-58.38
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300001799560	1	52	0.0	-69.75	382.97	9.83	-59.92
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1	REAL300001799561	1	50	0.0	-77.58	376.18	6.28	-71.30
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C1	REAL300001799668	0	57	0.0	-79.12	431.08	12.61	-66.51
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C1	REAL300001799668	1	57	0.0	-83.71	435.06	12.62	-71.09
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C=C1	REAL300001799713	1	56	0.0	-77.36	419.69	12.20	-65.16
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C=C1	REAL300001799713	1	56	0.0	-70.26	427.31	12.33	-57.93
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001799804	0	52	0.0	-73.44	382.66	9.94	-63.50
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001799804	1	52	0.0	-66.02	374.90	10.08	-55.94
C[N@@H+]1CC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300001799805	0	46	0.0	-84.97	358.36	9.20	-75.77
C[N@H+]1CC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300001799805	1	46	0.0	-81.83	355.64	8.87	-72.96
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)N1	REAL300001799830	1	47	0.0	-70.91	372.44	8.41	-62.50
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300001800341	0	52	0.0	-76.83	403.14	11.42	-65.41
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300001800349	0	53	0.0	-81.60	410.42	10.39	-71.21
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300001800447	0	59	0.0	-75.56	442.21	13.05	-62.51
CC1CN(CC2=CC=C(C(=O)NC3=CC=C(C(C)(C)C(=O)[O-])C=C3)C=C2)CCO1	REAL300001800449	0	57	0.0	-87.66	429.46	10.82	-76.84
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C(C(C)(C)C(=O)[O-])C=C3)C=C2)CCO1	REAL300001800449	1	57	0.0	-87.41	427.76	10.78	-76.63
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(C(C)(C)C(=O)[O-])C=C3)C=C2)CCO1	REAL300001800449	1	57	0.0	-87.41	427.76	10.78	-76.63
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001800494	0	46	0.0	-77.42	353.78	8.88	-68.54
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300001800498	0	52	0.0	-73.34	376.30	9.83	-63.51
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(C(C)(C)C(=O)[O-])C=C3)=CN21	REAL300001800502	0	44	0.0	-69.39	354.09	10.40	-58.99
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001800567	0	55	0.0	-69.36	396.25	11.02	-58.34
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001800567	1	55	0.0	-73.61	405.19	10.86	-62.75
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001800568	0	49	0.0	-68.37	360.17	9.65	-58.72
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001800568	1	49	0.0	-66.66	358.26	9.57	-57.09
C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001800572	0	46	0.0	-74.71	349.08	8.76	-65.95
C[N@H+]1CCCC(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001800572	1	46	0.0	-66.97	340.60	8.92	-58.05
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)O1	REAL300001800574	1	46	0.0	-78.24	366.72	8.93	-69.31
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001800580	0	55	0.0	-78.00	394.25	10.26	-67.74
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(C)(C)C(=O)[O-])C=C2)C1	REAL300001800580	1	55	0.0	-75.57	392.54	10.24	-65.33
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C23CC(C2)CN3C2CC2)C=C1	REAL300001800583	0	48	0.0	-68.97	366.16	9.70	-59.27
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300001800583	1	48	0.0	-75.44	360.24	9.83	-65.61
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300001800583	1	48	0.0	-68.97	366.16	9.70	-59.27
CC1(C(=O)[O-])CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300001801844	0	50	0.0	-81.50	373.06	10.32	-71.18
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300001802618	0	47	0.0	-61.76	352.43	9.47	-52.29
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300001802618	1	47	0.0	-66.56	357.74	9.87	-56.69
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300001803326	1	47	0.0	-72.63	374.59	10.44	-62.19
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300001803326	1	47	0.0	-65.75	371.52	9.99	-55.76
CC1(C(=O)[O-])CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300001803397	0	50	0.0	-65.50	366.84	9.79	-55.71
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(C)(C(=O)[O-])C3)CC2)=CS1	REAL300001803458	1	49	0.0	-75.74	380.77	8.07	-67.67
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300001803515	0	53	0.0	-80.56	410.23	10.16	-70.40
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300001803528	0	53	0.0	-76.96	407.70	12.06	-64.90
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C)(C(=O)[O-])C2)=C1	REAL300001803528	1	53	0.0	-79.02	407.83	11.99	-67.03
CC1(C(=O)[O-])CCN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300001803529	0	53	0.0	-61.92	379.36	10.39	-51.53
CC1(C(=O)[O-])CCN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001803567	0	50	0.0	-71.96	384.48	10.20	-61.76
CC1(C(=O)[O-])CCN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001803567	1	50	0.0	-67.83	382.03	10.04	-57.79
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300001803621	1	50	0.0	-67.20	378.87	10.47	-56.73
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300001803621	1	50	0.0	-69.08	381.00	10.52	-58.56
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300001803622	1	47	0.0	-73.55	364.27	9.99	-63.56
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300001803622	1	47	0.0	-66.54	361.19	9.53	-57.01
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300001803670	0	43	0.0	-76.57	341.89	7.68	-68.89
C[NH+](C)CCN1N=CC(C(=O)N2CCC(C)(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300001803675	0	53	0.0	-83.51	409.18	9.87	-73.64
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300001803699	0	50	0.0	-66.44	346.46	8.97	-57.47
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300001803699	1	50	0.0	-62.23	352.29	9.18	-53.05
CC1(C(=O)[O-])CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300001803700	0	51	0.0	-63.89	357.91	7.24	-56.65
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300001803722	0	52	0.0	-76.06	378.83	10.17	-65.89
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300001803722	1	52	0.0	-75.97	370.59	9.75	-66.22
CC1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001803743	0	47	0.0	-73.21	359.04	9.70	-63.51
CC1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001803743	1	47	0.0	-71.62	359.36	9.78	-61.84
CC1(C(=O)[O-])CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300001803744	0	48	0.0	-77.65	352.47	8.77	-68.88
C[NH+]1CCN(C(C(=O)N2CCC(C)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300001803765	1	52	0.0	-74.12	385.64	8.34	-65.78
CC1(C(=O)[O-])CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300001803766	0	51	0.0	-72.05	354.58	7.36	-64.69
CC(C(=O)N1CCC(C)(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300001803769	0	46	0.0	-67.01	350.02	9.35	-57.66
CC(C(=O)N1CCC(C)(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001803769	1	46	0.0	-67.66	350.83	9.45	-58.21
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300001803776	0	53	0.0	-68.11	388.38	11.26	-56.85
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300001803776	1	53	0.0	-65.64	390.64	11.45	-54.19
CC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300001803813	1	51	0.0	-54.79	374.40	6.70	-48.09
CC[N@H+](C)C(C(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001803814	0	46	0.0	-61.23	344.09	9.32	-51.91
CC[N@@H+](C)C(C(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001803814	1	46	0.0	-60.66	344.13	9.33	-51.33
CC[NH+](CC)C(C(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001803819	0	49	0.0	-56.95	353.80	10.06	-46.89
C[NH+](C)C(C(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001803822	1	43	0.0	-70.96	344.32	9.16	-61.80
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300001803836	0	47	0.0	-79.03	355.85	9.71	-69.32
CC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300001803842	0	50	0.0	-74.28	372.70	10.25	-64.03
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C)(C(=O)[O-])C3)CC2)CC1	REAL300001803848	0	58	0.0	-79.04	403.16	7.83	-71.21
CC1C[NH+](CC2=CC=C(C(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300001803854	1	54	0.0	-84.54	406.00	9.28	-75.26
CC1(C(=O)[O-])CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001803865	1	51	0.0	-81.19	392.69	9.98	-71.21
CC1(C(=O)[O-])CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001803865	1	51	0.0	-81.46	384.34	9.93	-71.53
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300001803880	0	50	0.0	-69.38	364.76	10.14	-59.24
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300001803880	1	50	0.0	-65.04	374.59	10.45	-54.59
CC1=C(C(=O)N2CCC(C)(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300001803882	1	41	0.0	-73.57	326.79	6.86	-66.71
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300001803890	0	50	0.0	-85.51	373.92	10.38	-75.13
CC1(C(=O)[O-])CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300001803901	1	43	0.0	-76.37	338.25	7.86	-68.51
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300001803902	0	46	0.0	-83.08	353.61	9.25	-73.83
CC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001803909	1	48	0.0	-67.09	367.83	9.30	-57.79
CC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300001803909	1	48	0.0	-78.39	367.68	9.33	-69.06
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(C)(C(=O)[O-])C1	REAL300001803913	0	57	0.0	-63.42	415.31	11.71	-51.71
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(C)(C(=O)[O-])C1	REAL300001803913	1	57	0.0	-65.01	421.20	11.58	-53.43
CC(C(=O)N1CCC(C)(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001803921	0	56	0.0	-70.44	407.78	11.55	-58.89
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300001803953	0	46	0.0	-71.98	357.53	9.85	-62.13
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300001803953	1	46	0.0	-71.98	357.54	9.85	-62.13
COCCOCC[N@H+](C)CCC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300001803954	0	50	0.0	-72.70	386.56	6.06	-66.64
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C)(C(=O)[O-])C1	REAL300001803954	1	50	0.0	-75.43	384.40	6.05	-69.38
CC1(C(=O)[O-])CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300001803963	0	55	0.0	-79.60	410.51	9.56	-70.04
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300001803964	1	49	0.0	-74.08	359.72	8.40	-65.68
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300001803964	1	49	0.0	-70.58	362.55	8.48	-62.10
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300001803965	1	49	0.0	-67.43	368.74	8.64	-58.79
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300001803965	1	49	0.0	-69.34	368.63	8.72	-60.62
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CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300001803993	0	54	0.0	-73.07	393.07	7.40	-65.67
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C)(C(=O)[O-])C2)CC1	REAL300001803993	1	54	0.0	-75.28	389.89	7.23	-68.05
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(C)(C(=O)[O-])C3)CC2)=C1	REAL300001803998	0	55	0.0	-76.82	412.60	9.45	-67.37
CC1(C(=O)[O-])CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300001803999	0	52	0.0	-76.86	391.20	8.78	-68.08
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300001804003	0	49	0.0	-64.88	373.40	8.80	-56.08
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CC(C(=O)N1CCC(C)(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001804007	1	47	0.0	-67.35	354.72	9.81	-57.54
CCC(CC)C(C(=O)N1CCC(C)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300001804019	1	53	0.0	-67.72	361.89	7.45	-60.27
CC1(C(=O)[O-])CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001804033	0	50	0.0	-78.68	382.29	10.64	-68.04
CC1(C(=O)[O-])CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001804033	1	50	0.0	-78.88	381.73	10.65	-68.23
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CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300001804058	0	50	0.0	-64.87	384.87	10.63	-54.24
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300001804058	1	50	0.0	-77.45	375.59	10.48	-66.97
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CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300001804059	1	46	0.0	-62.82	350.54	7.66	-55.16
CC1(C(=O)[O-])CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300001804061	0	51	0.0	-76.51	388.95	8.20	-68.31
CC1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300001804092	0	50	0.0	-70.68	362.03	9.29	-61.39
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CC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300001804107	1	55	0.0	-73.03	406.53	9.84	-63.19
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CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300001804193	0	54	0.0	-81.78	404.27	7.72	-74.06
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001804195	0	50	0.0	-71.54	372.63	10.24	-61.30
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001804195	1	50	0.0	-68.49	367.27	10.48	-58.01
CC1(C(=O)[O-])CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300001804249	0	48	0.0	-54.83	363.68	6.93	-47.90
CC1(C(=O)[O-])CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300001804249	1	48	0.0	-73.64	367.99	6.83	-66.81
C[NH+](C)CC1=C(C(=O)N2CCC(C)(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300001804253	0	46	0.0	-59.59	352.43	9.29	-50.30
CC[NH+](CC)C(C(=O)N1CCC(C)(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001804255	0	52	0.0	-66.54	393.97	10.55	-55.99
CC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300001804279	1	48	0.0	-55.97	366.98	10.21	-45.76
CC(C)C(C(=O)N1CCC(C)(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300001804280	1	53	0.0	-64.18	369.31	7.51	-56.67
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C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C)(C(=O)[O-])C3)=CC=C1N2	REAL300001804302	1	48	0.0	-80.75	365.48	8.90	-71.85
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C)(C(=O)[O-])C2)O1	REAL300001804352	0	46	0.0	-76.94	349.32	8.29	-68.65
CC1=CC=C(N2CCC(C(=O)N3CCC(C)(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300001804354	1	49	0.0	-56.98	371.37	8.35	-48.63
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300001804357	0	55	0.0	-69.82	398.76	8.85	-60.97
CC1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300001804366	1	38	0.0	-76.54	310.76	6.47	-70.07
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C)(C(=O)[O-])C1	REAL300001804397	0	50	0.0	-72.30	374.64	10.32	-61.98
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C)(C(=O)[O-])C1	REAL300001804397	1	50	0.0	-73.00	379.07	10.51	-62.49
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(C)(C(=O)[O-])C2)C=C1	REAL300001804413	0	51	0.0	-79.93	400.75	9.86	-70.07
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300001804429	0	47	0.0	-77.88	358.56	8.99	-68.89
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(C)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300001804455	0	49	0.0	-74.94	367.24	8.40	-66.54
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(C)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300001804455	1	49	0.0	-66.45	367.54	8.53	-57.92
CC1(C(=O)[O-])CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300001804648	0	51	0.0	-82.20	379.54	10.52	-71.68
CC1(C(=O)[O-])CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300001804648	1	51	0.0	-78.16	386.17	10.75	-67.41
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300001804676	1	50	0.0	-64.24	368.38	10.11	-54.13
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300001804676	1	50	0.0	-59.90	368.29	10.13	-49.77
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CC1(C(=O)[O-])CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300001805165	0	53	0.0	-75.24	395.85	11.36	-63.88
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)CCO1	REAL300001805167	1	51	0.0	-83.38	378.48	8.57	-74.81
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(C)(C(=O)[O-])C3)C=C2)CCO1	REAL300001805167	1	51	0.0	-85.90	378.38	8.58	-77.32
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CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300001807981	0	52	0.0	-79.77	399.27	11.09	-68.68
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300001807981	1	52	0.0	-79.49	389.83	10.72	-68.77
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CC(C(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001808031	1	46	0.0	-58.19	367.53	9.93	-48.26
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C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC(=O)[O-]	REAL300001811077	1	50	0.0	-63.82	387.89	10.23	-53.59
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC(=O)[O-]	REAL300001811078	0	47	0.0	-59.41	358.00	8.88	-50.53
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC(=O)[O-]	REAL300001811078	1	47	0.0	-57.60	350.81	8.61	-48.99
CC(C(=O)NCC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001811083	0	46	0.0	-51.11	352.07	8.52	-42.59
O=C([O-])CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001811091	0	45	0.0	-64.91	348.11	6.20	-58.71
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC(=O)[O-])CC2)=C1	REAL300001811096	0	45	0.0	-61.71	348.01	6.06	-55.65
O=C([O-])CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300001811120	0	45	0.0	-60.15	345.38	6.38	-53.77
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CC(C)[N@@H+]1CCC(C(=O)NCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001811122	0	46	0.0	-60.36	343.67	5.79	-54.57
CC(C)[N@H+]1CCC(C(=O)NCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300001811122	1	46	0.0	-65.56	344.99	5.54	-60.02
O=C([O-])CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001811135	0	44	0.0	-71.90	345.19	4.70	-67.20
CC[NH+](CC)C(C(=O)NCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300001811157	0	42	0.0	-52.13	331.23	7.40	-44.73
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC(=O)[O-])C=C2)CC1	REAL300001811186	0	45	0.0	-69.23	339.97	5.90	-63.33
O=C([O-])CNC(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300001811384	0	48	0.0	-67.03	379.43	7.21	-59.82
O=C([O-])CNC(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300001811384	1	48	0.0	-65.94	376.30	7.27	-58.67
CC(C)(C)[N@@H+]1CC[C@H](C(=O)NCC(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300001811410	0	49	0.0	-51.87	354.75	8.44	-43.43
CC(C)(C)[N@H+]1CC[C@H](C(=O)NCC(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300001811410	1	49	0.0	-64.91	369.64	8.51	-56.40
O=C([O-])C1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCO1	REAL300001812684	0	48	0.0	-83.32	365.15	9.19	-74.13
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CCO1	REAL300001813445	0	45	0.0	-67.11	341.53	8.23	-58.88
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CCO1	REAL300001813445	1	45	0.0	-67.11	341.45	8.21	-58.90
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CCO1	REAL300001814161	1	45	0.0	-75.32	360.37	8.96	-66.36
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CCO1	REAL300001814161	1	45	0.0	-54.98	365.44	9.21	-45.77
O=C([O-])C1CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CCO1	REAL300001814235	0	48	0.0	-70.57	362.24	8.87	-61.70
CC1=NC(C[NH+]2CCC(C(=O)N3CCOC(C(=O)[O-])C3)CC2)=CS1	REAL300001814296	1	47	0.0	-82.80	372.96	7.00	-75.80
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300001814352	0	51	0.0	-80.18	399.05	8.90	-71.28
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300001814365	0	51	0.0	-81.64	399.05	10.86	-70.78
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300001814365	1	51	0.0	-88.50	398.95	10.86	-77.64
CC1(C(=O)N2CCOC(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300001814366	0	51	0.0	-60.55	369.22	9.10	-51.45
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O=C([O-])C1CN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300001814404	1	48	0.0	-75.72	371.33	8.77	-66.95
O=C([O-])C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300001814459	1	48	0.0	-72.61	357.22	8.77	-63.84
O=C([O-])C1CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300001814459	1	48	0.0	-71.53	367.56	9.23	-62.30
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O=C([O-])C1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300001814460	1	45	0.0	-55.84	355.12	8.75	-47.09
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C[NH+](C)CCN1N=CC(C(=O)N2CCOC(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300001814511	0	51	0.0	-83.41	402.23	8.56	-74.85
O=C([O-])C1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CCO1	REAL300001814535	0	48	0.0	-65.86	341.19	7.86	-58.00
O=C([O-])C1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)CCO1	REAL300001814535	1	48	0.0	-65.31	339.43	7.81	-57.50
O=C([O-])C1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CCO1	REAL300001814536	0	49	0.0	-69.74	346.61	5.99	-63.75
O=C([O-])C1CN(C(=O)CCCC[NH+]2CCOCC2)CCO1	REAL300001814559	1	45	0.0	-80.74	343.22	5.73	-75.01
CC[N@H+](CC1=CC=C(C(=O)N2CCOC(C(=O)[O-])C2)C=C1)C(C)C	REAL300001814560	0	50	0.0	-83.32	362.48	8.52	-74.80
CC[N@@H+](CC1=CC=C(C(=O)N2CCOC(C(=O)[O-])C2)C=C1)C(C)C	REAL300001814560	1	50	0.0	-84.63	365.20	8.83	-75.80
O=C([O-])C1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300001814581	0	45	0.0	-77.07	349.37	8.52	-68.55
O=C([O-])C1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300001814581	1	45	0.0	-76.44	346.26	8.42	-68.02
O=C([O-])C1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)CCO1	REAL300001814582	0	46	0.0	-66.75	344.27	7.65	-59.10
C[NH+]1CCN(C(C(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300001814603	1	50	0.0	-66.04	368.53	6.29	-59.75
O=C([O-])C1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CCO1	REAL300001814604	0	49	0.0	-76.45	341.76	6.01	-70.44
CC(C(=O)N1CCOC(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300001814607	0	44	0.0	-71.93	338.15	8.06	-63.87
CC(C(=O)N1CCOC(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001814607	1	44	0.0	-72.03	337.99	8.03	-64.00
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCO1	REAL300001814615	0	51	0.0	-80.11	388.30	10.06	-70.05
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCO1	REAL300001814615	1	51	0.0	-75.22	379.05	9.97	-65.25
CCC[NH+](CCC)CCCC(=O)N1CCOC(C(=O)[O-])C1	REAL300001814652	0	49	0.0	-76.84	367.51	8.36	-68.48
O=C([O-])C1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CCO1	REAL300001814653	1	49	0.0	-68.36	369.51	5.90	-62.46
CC[N@H+](C)C(C(=O)N1CCOC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001814654	0	44	0.0	-65.53	334.51	8.03	-57.50
CC[N@@H+](C)C(C(=O)N1CCOC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001814654	1	44	0.0	-65.20	330.81	7.95	-57.25
CC[NH+](CC)C(C(=O)N1CCOC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001814658	0	47	0.0	-67.06	343.26	8.31	-58.75
C[NH+](C)C(C(=O)N1CCOC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001814661	1	41	0.0	-69.97	329.83	7.82	-62.15
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCO1	REAL300001814675	0	45	0.0	-83.80	347.13	8.42	-75.38
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CCN1CCC([NH+]2CCC(C(=O)N3CCOC(C(=O)[O-])C3)CC2)CC1	REAL300001814688	0	56	0.0	-80.19	399.53	6.94	-73.25
CC1C[NH+](CC2=CC=C(C(=O)N3CCOC(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300001814694	1	52	0.0	-87.01	397.19	8.13	-78.88
O=C([O-])C1CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300001814705	1	49	0.0	-85.26	379.27	8.68	-76.58
O=C([O-])C1CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300001814705	1	49	0.0	-83.65	369.01	8.17	-75.48
O=C([O-])C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CCO1	REAL300001814719	0	48	0.0	-68.04	362.21	9.23	-58.81
O=C([O-])C1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CCO1	REAL300001814719	1	48	0.0	-69.01	350.71	8.76	-60.25
CC1=C(C(=O)N2CCOC(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300001814721	1	39	0.0	-81.13	321.88	5.69	-75.44
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCO1	REAL300001814729	0	48	0.0	-83.91	364.80	9.14	-74.77
O=C([O-])C1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCO1	REAL300001814740	1	41	0.0	-80.78	326.69	6.61	-74.17
C[NH+](C)CCC1=CC=C(C(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300001814741	0	44	0.0	-86.54	344.76	8.10	-78.44
O=C([O-])C1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300001814748	1	46	0.0	-57.30	347.97	7.76	-49.54
O=C([O-])C1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300001814748	1	46	0.0	-77.78	347.60	7.73	-70.05
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCOC(C(=O)[O-])C1	REAL300001814753	0	55	0.0	-68.45	410.87	9.79	-58.66
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCOC(C(=O)[O-])C1	REAL300001814753	1	55	0.0	-65.99	403.80	9.52	-56.47
CC(C(=O)N1CCOC(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001814761	0	54	0.0	-69.80	401.39	10.51	-59.29
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCOC(C(=O)[O-])C1	REAL300001814792	0	44	0.0	-75.86	344.13	8.53	-67.33
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCOC(C(=O)[O-])C1	REAL300001814792	1	44	0.0	-75.84	344.09	8.52	-67.32
COCCOCC[N@H+](C)CCC(=O)N1CCOC(C(=O)[O-])C1	REAL300001814793	0	48	0.0	-76.59	373.12	4.78	-71.81
COCCOCC[N@@H+](C)CCC(=O)N1CCOC(C(=O)[O-])C1	REAL300001814793	1	48	0.0	-77.97	373.21	4.79	-73.18
O=C([O-])C1CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCO1	REAL300001814802	0	53	0.0	-82.30	399.33	8.29	-74.01
O=C([O-])C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CCO1	REAL300001814803	1	47	0.0	-71.89	357.02	7.49	-64.40
O=C([O-])C1CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CCO1	REAL300001814803	1	47	0.0	-71.93	357.18	7.50	-64.43
O=C([O-])C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CCO1	REAL300001814804	1	47	0.0	-68.93	356.23	7.33	-61.60
O=C([O-])C1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CCO1	REAL300001814804	1	47	0.0	-70.83	345.80	7.02	-63.81
CC(C)[NH+]1CCN(CCC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300001814833	0	49	0.0	-75.82	360.31	5.32	-70.50
CC(C)N1CC[NH+](CCC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300001814833	1	49	0.0	-76.78	356.88	5.14	-71.64
CC(C)[NH+]1CCN(CCCC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300001814834	0	52	0.0	-74.15	381.85	6.13	-68.02
CC(C)N1CC[NH+](CCCC(=O)N2CCOC(C(=O)[O-])C2)CC1	REAL300001814834	1	52	0.0	-77.80	378.38	5.93	-71.87
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCOC(C(=O)[O-])C3)CC2)=C1	REAL300001814839	0	53	0.0	-81.25	399.17	8.18	-73.07
O=C([O-])C1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CCO1	REAL300001814840	0	50	0.0	-81.03	377.83	7.51	-73.52
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCO1	REAL300001814844	0	47	0.0	-78.87	360.47	7.43	-71.44
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCO1	REAL300001814844	1	47	0.0	-62.96	360.50	7.36	-55.60
CC(C(=O)N1CCOC(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001814848	1	45	0.0	-71.89	338.56	8.40	-63.49
CC(C(=O)N1CCOC(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001814848	1	45	0.0	-71.96	338.88	8.45	-63.51
CCC(CC)C(C(=O)N1CCOC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300001814861	1	51	0.0	-66.00	348.11	6.42	-59.58
O=C([O-])C1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300001814875	0	48	0.0	-81.95	370.01	9.39	-72.56
O=C([O-])C1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300001814875	1	48	0.0	-82.16	371.29	9.42	-72.74
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCOC(C(=O)[O-])C2)=NN1	REAL300001814890	1	42	0.0	-69.89	327.57	5.46	-64.43
C[N@H+]1CCCC1C1=CC(C(=O)N2CCOC(C(=O)[O-])C2)=NN1	REAL300001814890	1	42	0.0	-80.04	320.76	4.94	-75.10
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCO1	REAL300001814900	0	48	0.0	-78.80	371.93	9.26	-69.54
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCO1	REAL300001814900	1	48	0.0	-62.78	372.04	9.28	-53.50
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CCO1	REAL300001814901	1	44	0.0	-67.88	337.97	6.59	-61.29
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CCO1	REAL300001814901	1	44	0.0	-74.64	338.27	6.63	-68.01
O=C([O-])C1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CCO1	REAL300001814903	0	49	0.0	-80.91	375.52	6.91	-74.00
O=C([O-])C1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CCO1	REAL300001814936	0	48	0.0	-74.61	345.98	7.81	-66.80
O=C([O-])C1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CCO1	REAL300001814936	1	48	0.0	-76.35	346.78	7.83	-68.52
O=C([O-])C1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)CCO1	REAL300001814952	0	53	0.0	-81.50	391.90	8.05	-73.45
O=C([O-])C1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)CCO1	REAL300001814952	1	53	0.0	-83.57	393.83	8.02	-75.55
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCOC(C(=O)[O-])C1	REAL300001814956	0	45	0.0	-75.12	317.13	4.72	-70.40
CC(C)[N@@H+]1CCC(C(=O)N2CCOC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300001814960	0	54	0.0	-84.85	397.51	7.52	-77.33
CC(C)[N@H+]1CCC(C(=O)N2CCOC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300001814960	1	54	0.0	-64.48	404.72	8.03	-56.45
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300001814961	0	48	0.0	-82.68	356.54	6.58	-76.10
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300001814961	1	48	0.0	-80.25	349.47	6.32	-73.93
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCOC(C(=O)[O-])C3)=C2)CC1	REAL300001814966	0	50	0.0	-79.53	381.10	6.71	-72.82
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCOC(C(=O)[O-])C3)C=C2)CC1	REAL300001814967	0	50	0.0	-79.87	380.98	6.53	-73.34
CN1CC[NH+](CC2=CC=C(C(=O)N3CCOC(C(=O)[O-])C3)C=C2)CC1	REAL300001814967	1	50	0.0	-85.01	380.40	6.55	-78.46
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300001814968	0	51	0.0	-80.67	386.11	8.34	-72.33
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCO1	REAL300001815043	0	52	0.0	-68.53	396.39	6.43	-62.10
O=C([O-])C1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300001815045	0	48	0.0	-74.98	357.72	9.37	-65.61
O=C([O-])C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300001815045	1	48	0.0	-76.43	356.40	9.09	-67.34
O=C([O-])C1CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300001815100	0	46	0.0	-57.48	353.61	5.60	-51.88
O=C([O-])C1CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300001815100	1	46	0.0	-73.26	356.06	5.47	-67.79
C[NH+](C)CC1=C(C(=O)N2CCOC(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300001815104	0	44	0.0	-63.16	340.99	8.01	-55.15
CC[NH+](CC)C(C(=O)N1CCOC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300001815106	0	50	0.0	-68.85	381.98	9.28	-59.57
O=C([O-])C1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)CCO1	REAL300001815130	1	46	0.0	-65.47	357.48	8.98	-56.49
CC(C)C(C(=O)N1CCOC(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300001815131	1	51	0.0	-67.83	355.85	6.55	-61.28
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCOC(C(=O)[O-])C3)=CC=C1N2	REAL300001815154	1	46	0.0	-86.49	357.36	7.66	-78.83
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCOC(C(=O)[O-])C3)=CC=C1N2	REAL300001815154	1	46	0.0	-86.12	357.48	7.66	-78.46
CC[NH+](CC)CC1=CC=C(C(=O)N2CCOC(C(=O)[O-])C2)O1	REAL300001815204	0	44	0.0	-54.17	341.08	7.23	-46.94
CC1=CC=C(N2CCC(C(=O)N3CCOC(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300001815206	1	47	0.0	-76.16	358.48	7.09	-69.07
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCOC(C(=O)[O-])C3)C=C2)CC1	REAL300001815209	0	53	0.0	-82.31	391.36	7.66	-74.65
O=C([O-])C1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCO1	REAL300001815218	1	36	0.0	-80.48	301.98	5.24	-75.24
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOC(C(=O)[O-])C1	REAL300001815249	0	48	0.0	-82.02	367.03	8.97	-73.05
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOC(C(=O)[O-])C1	REAL300001815249	1	48	0.0	-79.13	369.03	9.13	-70.00
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300001815265	0	49	0.0	-83.20	386.33	8.58	-74.62
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCO1	REAL300001815281	0	45	0.0	-59.66	347.20	7.76	-51.90
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCOC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300001815307	0	47	0.0	-77.56	355.22	7.13	-70.43
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCOC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300001815307	1	47	0.0	-71.67	354.39	7.11	-64.56
O=C([O-])C1CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CCO1	REAL300001815508	0	49	0.0	-79.64	368.74	9.30	-70.34
O=C([O-])C1CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CCO1	REAL300001815508	1	49	0.0	-80.40	369.49	9.27	-71.13
O=C([O-])C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CCO1	REAL300001815537	1	48	0.0	-74.62	357.32	8.84	-65.78
O=C([O-])C1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CCO1	REAL300001815537	1	48	0.0	-69.38	357.19	8.77	-60.61
C[N@@H+]1CC(C(=O)N2CCOC(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300001815605	0	38	0.0	-82.61	304.76	5.63	-76.98
C[N@H+]1CC(C(=O)N2CCOC(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300001815605	1	38	0.0	-87.61	296.01	6.37	-81.24
C[NH+](C)CCC1=CC=CC(C(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300001815975	0	44	0.0	-84.43	344.84	8.10	-76.33
C[NH+](C)CCOC1=CC=C(C(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300001815979	0	45	0.0	-82.05	352.07	7.02	-75.03
O=C([O-])C1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CCO1	REAL300001816046	0	51	0.0	-74.69	384.73	10.09	-64.60
CC1C[N@H+](CC2=CC=C(C(=O)N3CCOC(C(=O)[O-])C3)C=C2)CCO1	REAL300001816048	1	49	0.0	-87.34	375.20	7.44	-79.90
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCOC(C(=O)[O-])C3)C=C2)CCO1	REAL300001816048	1	49	0.0	-87.17	375.30	7.41	-79.76
CC[C@H](C)[C@H](NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001817132	0	52	0.0	-73.64	387.09	10.08	-63.56
CC[C@H](C)[C@H](NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300001818364	1	51	0.0	-73.43	394.51	7.84	-65.59
CC[C@H](C)[C@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001818408	0	55	0.0	-77.95	421.01	9.63	-68.32
CC[C@H](C)[C@H](NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001818413	0	55	0.0	-78.33	422.53	11.94	-66.39
CC[C@H](C)[C@H](NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001818413	1	55	0.0	-77.87	420.81	11.94	-65.93
CC[C@H](C)[C@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300001818522	0	45	0.0	-79.83	356.17	7.53	-72.30
CC[C@H](C)[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300001818540	0	53	0.0	-78.12	379.38	7.11	-71.01
CC[C@H](C)[C@H](NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300001818559	1	49	0.0	-74.67	365.93	6.44	-68.23
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300001818560	0	54	0.0	-81.23	385.96	9.71	-71.52
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300001818560	1	54	0.0	-81.05	386.26	9.84	-71.21
CC[C@H](C)[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001818575	0	49	0.0	-66.46	372.49	9.27	-57.19
CC[C@H](C)[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001818575	1	49	0.0	-65.35	371.95	9.37	-55.98
CC[C@H](C)[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300001818576	0	50	0.0	-73.53	367.44	8.48	-65.05
CC[C@H](C)[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300001818597	0	53	0.0	-65.93	362.76	6.69	-59.24
CC[C@H](C)[C@H](NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300001818600	0	48	0.0	-58.78	362.77	8.84	-49.94
CC[C@H](C)[C@H](NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300001818600	1	48	0.0	-62.39	362.56	8.85	-53.54
CC[C@H](C)[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001818607	0	55	0.0	-71.45	411.31	10.89	-60.56
CC[C@H](C)[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001818607	1	55	0.0	-57.66	405.06	11.11	-46.55
CCC[NH+](CCC)CCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	REAL300001818627	0	53	0.0	-67.34	388.55	9.06	-58.28
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300001818642	0	49	0.0	-81.14	369.90	9.54	-71.60
CC[C@H](C)[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300001818647	0	52	0.0	-74.27	387.39	10.19	-64.08
CC[C@H](C)[C@H](NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300001818653	0	60	0.0	-69.52	419.76	7.66	-61.86
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300001818659	1	56	0.0	-83.26	419.03	9.23	-74.03
CC[C@H](C)[C@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001818669	1	53	0.0	-78.32	395.21	9.32	-69.00
CC[C@H](C)[C@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001818669	1	53	0.0	-74.24	400.34	9.37	-64.87
CC[C@H](C)[C@H](NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300001818683	1	43	0.0	-78.92	341.78	6.74	-72.18
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300001818686	0	52	0.0	-80.98	385.71	10.21	-70.77
CC[C@H](C)[C@H](NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300001818696	1	45	0.0	-76.78	351.08	6.94	-69.84
CC[C@H](C)[C@H](NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001818697	0	48	0.0	-85.44	368.30	9.19	-76.25
CC[C@H](C)[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001818700	1	50	0.0	-69.36	381.75	8.87	-60.49
CC[C@H](C)[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001818700	1	50	0.0	-77.47	381.08	8.91	-68.56
CC[C@H](C)[C@H](NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001818708	0	58	0.0	-54.74	424.25	11.32	-43.42
CC[C@H](C)[C@H](NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300001818733	0	48	0.0	-62.31	366.81	9.28	-53.03
CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300001818733	1	48	0.0	-62.24	366.80	9.28	-52.96
CC[C@H](C)[C@H](NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300001818734	0	52	0.0	-66.80	395.85	5.47	-61.33
CC[C@H](C)[C@H](NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300001818734	1	52	0.0	-66.83	395.83	5.45	-61.38
CC[C@H](C)[C@H](NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001818740	0	57	0.0	-73.46	421.96	8.98	-64.48
CC[C@H](C)[C@H](NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300001818766	0	53	0.0	-69.92	383.01	6.01	-63.91
CC[C@H](C)[C@H](NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300001818766	1	53	0.0	-64.08	377.86	5.82	-58.26
CC[C@H](C)[C@H](NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300001818767	0	56	0.0	-71.42	404.51	6.82	-64.60
CC[C@H](C)[C@H](NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300001818767	1	56	0.0	-69.35	401.01	6.61	-62.74
CC[C@H](C)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300001818771	0	57	0.0	-69.53	421.87	8.84	-60.69
CC[C@H](C)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001818772	0	54	0.0	-69.30	399.96	8.14	-61.16
CC[C@H](C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001818775	0	51	0.0	-65.73	375.81	8.49	-57.24
CC[C@H](C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001818775	1	51	0.0	-64.31	374.35	8.44	-55.87
CC[C@H](C)[C@H](NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300001818779	1	49	0.0	-59.65	365.30	9.26	-50.39
CC[C@H](C)[C@H](NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300001818779	1	49	0.0	-57.41	363.13	9.35	-48.06
CC[C@H](C)[C@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001818796	0	52	0.0	-71.01	389.08	9.99	-61.02
CC[C@H](C)[C@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001818796	1	52	0.0	-73.83	393.13	10.09	-63.74
CC[C@H](C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001818813	0	52	0.0	-67.38	393.55	10.11	-57.27
CC[C@H](C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001818813	1	52	0.0	-62.01	388.93	10.30	-51.71
CC[C@H](C)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001818815	0	53	0.0	-68.91	398.23	7.59	-61.32
CC[C@H](C)[C@H](NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300001818837	1	52	0.0	-80.22	385.24	8.28	-71.94
CC[C@H](C)[C@H](NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300001818838	0	52	0.0	-66.79	374.26	8.76	-58.03
CC[C@H](C)[C@H](NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300001818838	1	52	0.0	-66.28	372.24	8.75	-57.53
CC[C@H](C)[C@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300001818856	0	54	0.0	-71.31	402.79	7.77	-63.54
CC[C@H](C)[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300001818857	0	54	0.0	-79.82	404.43	7.77	-72.05
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300001818857	1	54	0.0	-82.28	403.17	7.69	-74.59
CC[C@H](C)[C@H](NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300001818858	0	55	0.0	-80.77	410.09	9.52	-71.25
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001818911	0	56	0.0	-84.36	419.05	7.51	-76.85
CC[C@H](C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001818913	0	52	0.0	-61.76	382.55	10.24	-51.52
CC[C@H](C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001818913	1	52	0.0	-59.50	381.12	10.26	-49.24
CC[C@H](C)[C@H](NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001818993	1	50	0.0	-81.46	378.95	8.79	-72.67
CC[C@H](C)[C@H](NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001818993	1	50	0.0	-82.65	380.82	8.75	-73.90
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300001819031	0	48	0.0	-74.58	361.85	7.77	-66.81
CC[C@H](C)[C@H](NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300001819033	1	51	0.0	-70.82	381.69	7.92	-62.90
CC[C@H](C)[C@H](NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300001819036	0	57	0.0	-83.23	413.11	8.75	-74.48
CC[C@H](C)[C@H](NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300001819043	1	40	0.0	-77.26	325.31	6.29	-70.97
CC[C@H](C)[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001819067	0	52	0.0	-74.55	389.64	9.84	-64.71
CC[C@H](C)[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001819067	1	52	0.0	-73.48	393.50	9.93	-63.55
CC[C@H](C)[C@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001819082	0	53	0.0	-82.83	410.16	9.31	-73.52
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300001819094	0	49	0.0	-75.29	371.11	8.45	-66.84
CC[C@H](C)[C@H](NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300001819338	0	42	0.0	-67.98	320.52	6.57	-61.41
CC[C@H](C)[C@H](NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300001819338	1	42	0.0	-57.16	329.59	6.64	-50.52
CC[C@H](C)[C@H](NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300001819625	0	48	0.0	-77.27	367.59	9.21	-68.06
CC[C@H](C)[C@H](NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001819628	0	49	0.0	-82.65	375.60	8.14	-74.51
CC[C@H](C)[C@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001819688	0	55	0.0	-71.58	407.42	10.78	-60.80
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001819690	1	53	0.0	-82.96	391.51	8.52	-74.44
CC[C@H](C)[C@H](NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001819690	1	53	0.0	-82.98	391.52	8.52	-74.46
O=C([O-])CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300001820616	0	47	0.0	-76.80	356.56	10.65	-66.15
CC1=NC(C[NH+]2CCC(C(=O)N(CC(=O)[O-])C3CC3)CC2)=CS1	REAL300001821665	1	46	0.0	-76.37	364.31	8.47	-67.90
C[NH+](C)CCOC1=CC=C(CCC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300001821699	0	50	0.0	-78.79	389.65	10.48	-68.31
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300001821704	0	50	0.0	-74.32	387.36	12.59	-61.73
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300001821704	1	50	0.0	-74.12	387.36	12.60	-61.52
O=C([O-])CN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1CC1	REAL300001821788	0	40	0.0	-63.29	320.11	7.92	-55.37
O=C([O-])CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C1CC1	REAL300001821805	0	48	0.0	-78.95	342.22	7.61	-71.34
CC[N@H+](CC1=CC=C(C(=O)N(CC(=O)[O-])C2CC2)C=C1)C(C)C	REAL300001821817	0	49	0.0	-63.58	359.29	10.58	-53.00
CC[N@@H+](CC1=CC=C(C(=O)N(CC(=O)[O-])C2CC2)C=C1)C(C)C	REAL300001821817	1	49	0.0	-63.46	349.40	9.99	-53.47
O=C([O-])CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300001821831	0	44	0.0	-69.37	344.65	10.18	-59.19
O=C([O-])CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300001821831	1	44	0.0	-68.63	341.00	10.01	-58.62
O=C([O-])CN(C(=O)C1CC[NH+](C2CCSC2)CC1)C1CC1	REAL300001821832	0	45	0.0	-79.83	339.58	9.36	-70.47
O=C([O-])CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C1CC1	REAL300001821850	0	48	0.0	-68.28	337.65	7.70	-60.58
O=C([O-])CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1CC1	REAL300001821857	0	50	0.0	-70.67	379.40	11.53	-59.14
O=C([O-])CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1CC1	REAL300001821857	1	50	0.0	-72.07	381.77	11.71	-60.36
O=C([O-])CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1CC1	REAL300001821891	0	44	0.0	-67.02	335.51	10.16	-56.86
O=C([O-])CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1CC1	REAL300001821894	0	47	0.0	-69.21	352.29	10.86	-58.35
CCN1CCC([NH+]2CCC(C(=O)N(CC(=O)[O-])C3CC3)CC2)CC1	REAL300001821899	0	55	0.0	-73.82	385.29	8.30	-65.52
CC1C[NH+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CC3)C=C2)CC(C)O1	REAL300001821904	1	51	0.0	-69.46	384.98	9.70	-59.76
O=C([O-])CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300001821913	1	48	0.0	-78.48	364.86	9.85	-68.63
O=C([O-])CN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300001821913	1	48	0.0	-79.61	375.20	10.37	-69.24
CC1=C(C(=O)N(CC(=O)[O-])C2CC2)C=NN1C1=CC=[NH+]C=C1	REAL300001821926	1	38	0.0	-74.22	304.26	7.33	-66.89
O=C([O-])CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1CC1	REAL300001821929	0	47	0.0	-66.65	351.65	10.68	-55.97
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CC(C(=O)N(CC(=O)[O-])C1CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001821948	0	53	0.0	-60.50	397.63	12.28	-48.22
COCCOCC[N@H+](C)CCC(=O)N(CC(=O)[O-])C1CC1	REAL300001821965	0	47	0.0	-69.13	363.74	6.36	-62.77
COCCOCC[N@@H+](C)CCC(=O)N(CC(=O)[O-])C1CC1	REAL300001821965	1	47	0.0	-69.53	369.08	6.46	-63.07
O=C([O-])CN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300001821971	0	52	0.0	-74.03	394.72	9.94	-64.09
CC(C)[NH+]1CCN(CCCC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300001821987	0	51	0.0	-71.29	372.66	7.45	-63.84
CC(C)N1CC[NH+](CCCC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300001821987	1	51	0.0	-70.45	374.09	7.61	-62.84
CC1=CC=CC(N2CC[NH+](CCC(=O)N(CC(=O)[O-])C3CC3)CC2)=C1	REAL300001821991	0	52	0.0	-72.02	389.79	9.74	-62.28
O=C([O-])CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300001821992	0	49	0.0	-70.60	373.73	9.19	-61.41
O=C([O-])CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1CC1	REAL300001821995	0	46	0.0	-69.53	351.86	8.90	-60.63
O=C([O-])CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1CC1	REAL300001821995	1	46	0.0	-69.81	354.05	9.08	-60.73
CC(C(=O)N(CC(=O)[O-])C1CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001821998	1	44	0.0	-62.41	335.85	10.12	-52.29
CC(C(=O)N(CC(=O)[O-])C1CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001821998	1	44	0.0	-61.74	336.68	10.08	-51.66
O=C([O-])CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300001822012	0	47	0.0	-74.65	366.06	11.07	-63.58
O=C([O-])CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300001822012	1	47	0.0	-74.11	365.72	11.07	-63.04
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C[NH+]1CCN(CC2=CC=CC(C(=O)N(CC(=O)[O-])C3CC3)=C2)CC1	REAL300001822046	0	49	0.0	-70.33	369.39	8.43	-61.90
C[NH+]1CCN(CC2=CC=C(C(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300001822047	0	49	0.0	-69.96	369.32	8.44	-61.52
CN1CC[NH+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300001822047	1	49	0.0	-67.14	368.18	8.12	-59.02
CC[NH+](CC)CCOC1=CC=C(C(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300001822048	0	50	0.0	-64.00	371.22	9.67	-54.33
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CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300001822169	0	52	0.0	-69.10	378.88	9.31	-59.79
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(CC(=O)[O-])C1CC1	REAL300001822190	0	47	0.0	-67.85	357.21	10.69	-57.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(CC(=O)[O-])C1CC1	REAL300001822190	1	47	0.0	-64.80	360.42	10.87	-53.93
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CC1C[N@@H+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CC3)C=C2)CCO1	REAL300001822630	1	48	0.0	-69.90	364.92	9.14	-60.76
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CC1=C(C)[NH+]=C(CCC(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)N1	REAL300001826486	1	44	0.0	-64.50	363.89	7.70	-56.80
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300001826878	0	49	0.0	-69.54	401.13	11.54	-58.00
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CC(C)C[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300001827065	0	52	0.0	-55.65	401.41	10.91	-44.74
CC(C)C[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300001827065	1	52	0.0	-61.59	388.20	10.27	-51.32
CC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300001827066	0	46	0.0	-67.66	355.59	8.66	-59.00
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C(C)N1CC[NH+](C)CC1	REAL300001829182	1	52	0.0	-76.75	390.10	6.31	-70.44
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CCCC[N@@H+]1C	REAL300001829212	1	47	0.0	-70.23	348.38	7.90	-62.33
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CCCC[N@H+]1C	REAL300001829212	1	47	0.0	-69.83	358.48	8.04	-61.79
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C)CC1	REAL300001829279	0	47	0.0	-83.55	363.12	8.14	-75.41
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300001829339	0	56	0.0	-77.90	416.78	10.10	-67.80
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300001829339	1	56	0.0	-77.73	415.40	10.02	-67.71
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1C	REAL300001829352	1	44	0.0	-70.16	335.90	7.02	-63.14
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1C	REAL300001829352	1	44	0.0	-69.03	344.92	7.59	-61.44
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C)CC1	REAL300001829399	0	47	0.0	-83.55	363.12	8.14	-75.41
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300001829402	0	50	0.0	-90.35	404.98	9.10	-81.25
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300001829413	0	58	0.0	-85.48	429.92	8.75	-76.73
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+]1CCOCC1	REAL300001829446	1	54	0.0	-82.27	416.62	8.09	-74.18
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2OC(C)C)C=C1)C(C)C	REAL300001829448	0	59	0.0	-86.55	439.25	11.40	-75.15
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300001829451	1	44	0.0	-68.90	345.01	7.60	-61.30
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)[C@H]1CCC[N@H+]1C	REAL300001829451	1	44	0.0	-73.35	336.39	7.03	-66.32
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001829487	0	54	0.0	-76.96	419.63	10.88	-66.08
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001829487	1	54	0.0	-76.45	423.55	11.00	-65.45
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001829488	0	55	0.0	-86.54	417.01	10.09	-76.45
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300001829512	0	58	0.0	-79.57	414.49	8.41	-71.16
CCC(C(=O)NC1=CC(C(=O)[O-])=CC=C1OC(C)C)[NH+](CC)CC	REAL300001829516	0	52	0.0	-64.54	381.62	8.90	-55.64
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300001829518	1	53	0.0	-74.91	411.30	10.45	-64.46
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300001829518	1	53	0.0	-74.36	410.82	10.49	-63.87
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CCC[NH+](CCC)CCCC(=O)NC1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300001829542	0	58	0.0	-77.71	439.82	10.70	-67.01
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)CN1C=C[NH+]=C1C(C)C	REAL300001829551	1	48	0.0	-68.66	384.01	9.24	-59.42
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300001829566	0	54	0.0	-90.10	419.86	11.10	-79.00
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001829571	0	57	0.0	-79.67	438.06	11.84	-67.83
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1(C[NH+](C)C)CC1	REAL300001829574	0	47	0.0	-75.35	366.92	8.21	-67.14
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+](C)C	REAL300001829582	0	49	0.0	-81.11	382.35	8.58	-72.53
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300001829617	1	50	0.0	-83.31	401.52	8.63	-74.68
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CCC[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC=C1OC(C)C	REAL300001829631	0	46	0.0	-72.56	357.59	7.92	-64.64
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300001829671	1	52	0.0	-72.72	383.98	8.90	-63.82
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300001829673	1	53	0.0	-75.47	416.13	10.88	-64.59
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CC(C)OC1=CC=C(C(=O)[O-])C=C1NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300001829679	0	51	0.0	-68.12	387.45	6.75	-61.37
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COC1=CC(CN(CC(=O)[O-])C(=O)CCN2C=C[NH+]=C2C(C)C)=CC(OC)=C1	REAL300001837662	1	55	0.0	-49.33	437.98	10.18	-39.15
CC[N@H+](CC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1)C1CC1	REAL300001837667	0	51	0.0	-43.64	398.96	8.97	-34.67
CC[N@@H+](CC(=O)N(CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1)C1CC1	REAL300001837667	1	51	0.0	-43.43	398.97	8.96	-34.47
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C(C)[NH+]2CCCCCC2)=C1	REAL300001837682	0	57	0.0	-43.35	417.33	9.55	-33.80
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)[C@@H]2CCC[N@@H+]2C)=C1	REAL300001837685	0	48	0.0	-40.03	365.07	7.26	-32.77
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)[C@@H]2CCC[N@H+]2C)=C1	REAL300001837685	1	48	0.0	-44.36	372.00	7.59	-36.77
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C[NH2+]C(C)(C)C)=C1	REAL300001837728	0	50	0.0	-46.99	385.51	6.43	-40.56
COC1=CC(CN(CC(=O)[O-])C(=O)CCCC[NH+]2CCCC2)=CC(OC)=C1	REAL300001837729	0	57	0.0	-60.51	443.93	10.35	-50.16
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300001837731	1	54	0.0	-48.08	423.26	10.32	-37.76
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300001837731	1	54	0.0	-45.40	429.26	10.59	-34.81
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)=C1	REAL300001837749	1	49	0.0	-72.60	403.24	8.02	-64.58
COC1=CC(CN(CC(=O)[O-])C(=O)C2=NOC(C[NH+](C)C)=C2)=CC(OC)=C1	REAL300001837759	1	50	0.0	-72.46	407.02	8.30	-64.16
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C2CCC[N@@H+]2C(C)C)=C1	REAL300001837769	0	54	0.0	-45.49	394.47	8.75	-36.74
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C2CCC[N@H+]2C(C)C)=C1	REAL300001837769	1	54	0.0	-47.23	411.81	8.93	-38.30
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)COC2CC[NH+](C)CC2)=C1	REAL300001837783	0	55	0.0	-66.25	426.51	8.87	-57.38
CCC[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)C1	REAL300001837877	0	57	0.0	-50.86	432.82	9.77	-41.09
CCC[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)C1	REAL300001837877	1	57	0.0	-57.94	435.61	9.91	-48.03
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C[NH+]2CCC(CO)CC2)=C1	REAL300001837892	1	55	0.0	-44.93	426.11	6.17	-38.76
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C2CCC[N@@H+](C(C)C)C2)=C1	REAL300001838008	0	57	0.0	-53.39	428.93	9.66	-43.73
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C2CCC[N@H+](C(C)C)C2)=C1	REAL300001838008	1	57	0.0	-56.26	430.76	9.69	-46.57
COC1=CC(CN(CC(=O)[O-])C(=O)CCC2=[NH+]C(C)=C(C)N2)=CC(OC)=C1	REAL300001838025	1	52	0.0	-48.83	422.84	8.32	-40.51
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)[C@H]2C[C@H]([NH+](C)C)C2)=C1	REAL300001838365	0	51	0.0	-61.29	400.84	8.72	-52.57
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=C1	REAL300001838369	0	57	0.0	-62.95	420.73	9.43	-53.52
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C2=CN3C(=C[NH+]=C3C)C=C2)=C1	REAL300001838371	0	49	0.0	-59.15	408.51	10.11	-49.04
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C2CCC[N@H+](CC(C)C)C2)=C1	REAL300001838405	0	60	0.0	-57.13	453.06	10.59	-46.54
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C2CCC[N@@H+](CC(C)C)C2)=C1	REAL300001838405	1	60	0.0	-50.29	450.24	10.45	-39.84
CC[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)C1	REAL300001838406	0	54	0.0	-52.59	406.46	8.86	-43.73
CC[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)C1	REAL300001838406	1	54	0.0	-57.64	411.40	9.12	-48.52
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C2CCC[N@H+](C)C2)=C1	REAL300001838411	0	51	0.0	-49.78	386.97	8.59	-41.19
COC1=CC(OC)=CC(CN(CC(=O)[O-])C(=O)C2CCC[N@@H+](C)C2)=C1	REAL300001838411	1	51	0.0	-57.46	392.82	8.43	-49.03
COC1=CC(CN(CC(=O)[O-])C(=O)C2=CC=C(C[NH+](C)C)O2)=CC(OC)=C1	REAL300001838413	1	51	0.0	-57.94	413.42	8.87	-49.07
COC1=CC(CN(CC(=O)[O-])C(=O)C23CC(C2)C[N@@H+]3C2CC2)=CC(OC)=C1	REAL300001838421	0	53	0.0	-35.21	396.01	8.95	-26.26
COC1=CC(CN(CC(=O)[O-])C(=O)C23CC(C2)C[N@H+]3C2CC2)=CC(OC)=C1	REAL300001838421	1	53	0.0	-49.99	397.40	9.19	-40.80
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=C(Br)C=C1	REAL300001839440	0	44	0.0	-64.69	363.02	9.52	-55.17
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CC=C(Br)C=C3)CN12	REAL300001839458	1	42	0.0	-58.29	361.24	9.40	-48.89
C[NH+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839494	0	33	0.0	-57.03	293.66	6.66	-50.37
CC(C(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)N1CC[NH+](C)CC1	REAL300001839495	1	45	0.0	-67.10	364.80	6.41	-60.69
C[N@@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839519	0	40	0.0	-50.77	335.64	8.26	-42.51
C[N@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839519	1	40	0.0	-55.10	326.54	8.01	-47.09
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300001839550	0	40	0.0	-68.98	338.44	8.24	-60.74
O=C([O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=C(Br)C=C1	REAL300001839573	0	35	0.0	-67.27	324.02	10.09	-57.18
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CCCCC1	REAL300001839589	0	49	0.0	-68.59	378.35	10.29	-58.30
C[N@H+](CCC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)C1CCCCC1	REAL300001839592	0	49	0.0	-62.68	391.67	10.23	-52.45
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)C1CCCCC1	REAL300001839592	1	49	0.0	-62.06	391.66	10.22	-51.84
C[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839600	0	37	0.0	-58.66	313.66	7.21	-51.45
C[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839600	1	37	0.0	-53.84	320.34	7.59	-46.25
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300001839633	0	40	0.0	-68.98	338.44	8.24	-60.74
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839658	1	41	0.0	-63.76	364.59	9.56	-54.20
O=C([O-])C(NC(=O)CCCC[NH+]1CCOCC1)C1=CC=C(Br)C=C1	REAL300001839659	1	47	0.0	-70.89	391.52	8.23	-62.66
C[C@@H](C(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)[NH+](C)C	REAL300001839663	0	36	0.0	-53.90	311.56	7.08	-46.82
C[N@@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839664	0	37	0.0	-58.65	313.67	7.22	-51.43
C[N@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839664	1	37	0.0	-56.26	318.74	7.72	-48.54
C[C@H](C(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)[NH+](C)C	REAL300001839667	0	36	0.0	-57.20	311.68	7.07	-50.13
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)[NH+](CC)CC	REAL300001839716	0	45	0.0	-49.97	360.06	8.89	-41.08
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C=N1	REAL300001839728	0	42	0.0	-73.63	367.19	8.27	-65.36
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839730	0	51	0.0	-65.66	416.45	10.79	-54.87
C[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300001839731	1	38	0.0	-69.49	331.02	7.11	-62.38
C[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300001839731	1	38	0.0	-69.45	331.03	7.12	-62.33
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839739	1	41	0.0	-54.84	359.50	9.32	-45.52
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300001839747	0	40	0.0	-64.67	346.81	8.32	-56.35
C[NH+](C)CCCCC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839751	0	42	0.0	-70.28	359.26	8.71	-61.57
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839773	1	39	0.0	-55.18	342.96	7.74	-47.44
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839777	0	39	0.0	-56.33	333.13	8.00	-48.33
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839777	1	39	0.0	-56.35	333.08	8.00	-48.35
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)C1CCC1	REAL300001839788	0	40	0.0	-53.08	339.71	8.64	-44.44
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)C1CCC1	REAL300001839788	1	40	0.0	-53.96	339.85	8.66	-45.30
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)CC(C)(C)C	REAL300001839800	0	45	0.0	-55.94	363.53	9.07	-46.87
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)CC(C)(C)C	REAL300001839800	1	45	0.0	-56.03	363.63	9.14	-46.89
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)[NH+](C)C	REAL300001839802	0	39	0.0	-54.69	323.49	7.65	-47.04
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300001839804	0	44	0.0	-64.44	361.30	7.00	-57.44
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300001839804	1	44	0.0	-54.80	363.56	6.98	-47.82
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839815	0	48	0.0	-57.45	397.58	10.35	-47.10
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839815	1	48	0.0	-57.35	397.63	10.36	-46.99
O=C([O-])C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC=C(Br)C=C1	REAL300001839825	1	35	0.0	-74.20	324.29	10.11	-64.09
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)C1CCSC1	REAL300001839829	0	41	0.0	-60.19	354.62	8.81	-51.38
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)C1CCSC1	REAL300001839829	1	41	0.0	-61.51	353.19	8.81	-52.70
O=C([O-])C(NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC=C(Br)C=C1	REAL300001839843	0	44	0.0	-49.21	357.61	9.45	-39.76
O=C([O-])C(NC(=O)C1CCCC2CCC[N@H+]21)C1=CC=C(Br)C=C1	REAL300001839843	1	44	0.0	-51.37	358.41	9.43	-41.94
C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C=N1	REAL300001839844	0	43	0.0	-77.54	377.97	8.16	-69.38
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300001839865	0	43	0.0	-84.27	378.58	8.09	-76.18
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839866	0	43	0.0	-58.20	373.56	8.11	-50.09
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC[N@@H+]1C	REAL300001839868	0	40	0.0	-66.16	331.19	7.86	-58.30
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC[N@H+]1C	REAL300001839868	1	40	0.0	-62.86	333.00	7.83	-55.03
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839869	1	44	0.0	-58.09	379.81	9.80	-48.29
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC[N@@H+]1C	REAL300001839871	0	43	0.0	-64.14	351.09	8.26	-55.88
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC[N@H+]1C	REAL300001839871	1	43	0.0	-59.58	354.92	8.80	-50.78
CC1C[N@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)O1	REAL300001839875	1	41	0.0	-68.10	345.47	7.83	-60.27
CC1C[N@@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)O1	REAL300001839875	1	41	0.0	-70.79	345.22	7.34	-63.45
O=C([O-])C(NC(=O)C[NH+]1CCCC1)C1=CC=C(Br)C=C1	REAL300001839880	0	37	0.0	-56.32	317.80	7.61	-48.71
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839882	1	35	0.0	-55.68	323.09	8.28	-47.40
CC(C[NH+]1CCOCC1)C(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839884	0	44	0.0	-62.33	364.56	7.36	-54.97
CC1CC[NH+](CC(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300001839903	0	43	0.0	-55.60	356.21	9.12	-46.48
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300001839911	1	41	0.0	-66.69	348.83	7.76	-58.93
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300001839911	1	41	0.0	-50.12	341.21	7.58	-42.54
C[N@@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839933	0	43	0.0	-64.46	357.23	9.00	-55.46
C[N@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839933	1	43	0.0	-64.94	355.15	8.65	-56.29
O=C([O-])C(NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC=C(Br)C=C1	REAL300001839941	0	44	0.0	-51.90	361.35	9.49	-42.41
O=C([O-])C(NC(=O)C1CCC2CCCC[N@H+]21)C1=CC=C(Br)C=C1	REAL300001839941	1	44	0.0	-55.90	355.27	9.15	-46.75
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300001839953	0	39	0.0	-55.71	325.48	7.67	-48.04
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300001839955	0	46	0.0	-67.25	369.12	9.21	-58.04
O=C([O-])C(NC(=O)C12CC[NH+](CC1)C2)C1=CC=C(Br)C=C1	REAL300001840000	0	38	0.0	-66.51	325.28	7.18	-59.33
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(Br)C=C1)[NH+](C)C	REAL300001840003	0	39	0.0	-51.68	324.06	7.66	-44.02
O=C([O-])C(NC(=O)C12CC[N@H+](C1)CCC2)C1=CC=C(Br)C=C1	REAL300001840009	0	41	0.0	-65.94	335.67	7.89	-58.05
O=C([O-])C(NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC=C(Br)C=C1	REAL300001840009	1	41	0.0	-72.49	334.47	7.99	-64.50
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C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1CCC1	REAL300001850895	1	40	0.0	-58.24	329.50	8.10	-50.14
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)CC(C)(C)C	REAL300001850922	0	45	0.0	-59.42	352.06	8.56	-50.86
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)CC(C)(C)C	REAL300001850922	1	45	0.0	-58.30	352.25	8.66	-49.64
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001850924	0	46	0.0	-61.31	381.77	10.60	-50.71
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001850924	1	46	0.0	-61.34	381.75	10.60	-50.74
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001850925	0	50	0.0	-65.25	411.25	6.82	-58.43
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001850925	1	50	0.0	-68.13	411.37	6.78	-61.35
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)[NH+](C)C	REAL300001850928	0	39	0.0	-58.47	313.80	7.18	-51.29
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300001850930	0	44	0.0	-60.14	344.02	6.26	-53.88
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300001850930	1	44	0.0	-69.06	341.20	6.36	-62.70
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001850942	0	48	0.0	-59.79	386.36	9.91	-49.88
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001850942	1	48	0.0	-61.05	387.12	9.87	-51.18
O=C([O-])C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC(F)=CC=C1F	REAL300001850956	1	35	0.0	-77.68	313.58	9.70	-67.98
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1CCSC1	REAL300001850967	0	41	0.0	-62.41	342.41	8.42	-53.99
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1CCSC1	REAL300001850967	1	41	0.0	-65.15	342.75	8.34	-56.81
CC(C)[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300001850981	0	51	0.0	-71.51	398.56	7.34	-64.17
CC(C)N1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300001850981	1	51	0.0	-65.01	394.79	7.16	-57.85
CC(C)[NH+]1CCN(CCCC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300001850982	0	54	0.0	-70.81	420.29	8.09	-62.72
CC(C)N1CC[NH+](CCCC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300001850982	1	54	0.0	-70.33	416.55	7.88	-62.45
O=C([O-])C(NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC(F)=CC=C1F	REAL300001850983	0	44	0.0	-53.61	347.62	9.02	-44.59
O=C([O-])C(NC(=O)C1CCCC2CCC[N@H+]21)C1=CC(F)=CC=C1F	REAL300001850983	1	44	0.0	-59.59	337.95	8.70	-50.89
C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300001850985	0	43	0.0	-79.77	366.93	7.63	-72.14
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=CC(F)=CC=C1F	REAL300001850990	0	49	0.0	-68.57	398.58	9.48	-59.09
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=CC(F)=CC=C1F	REAL300001850990	1	49	0.0	-66.64	398.56	9.48	-57.16
O=C([O-])C(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC(F)=CC=C1F	REAL300001851013	0	50	0.0	-72.99	406.05	11.34	-61.65
O=C([O-])C(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC(F)=CC=C1F	REAL300001851013	1	50	0.0	-73.77	408.76	11.39	-62.38
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300001851026	0	43	0.0	-86.98	368.08	7.62	-79.36
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851027	0	43	0.0	-60.67	363.21	7.57	-53.10
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC[N@@H+]1C	REAL300001851029	0	40	0.0	-69.96	320.66	7.38	-62.58
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC[N@H+]1C	REAL300001851029	1	40	0.0	-70.78	326.00	7.42	-63.36
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851030	1	44	0.0	-61.99	369.39	9.32	-52.67
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC[N@@H+]1C	REAL300001851033	0	43	0.0	-70.33	339.56	7.87	-62.46
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC[N@H+]1C	REAL300001851033	1	43	0.0	-62.34	344.22	8.39	-53.95
CC1C[N@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)O1	REAL300001851040	1	41	0.0	-78.72	334.54	6.93	-71.79
CC1C[N@@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)O1	REAL300001851040	1	41	0.0	-69.38	334.83	7.14	-62.24
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851047	1	35	0.0	-59.65	312.88	7.72	-51.93
CC(C[NH+]1CCOCC1)C(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851049	0	44	0.0	-67.42	354.74	6.84	-60.58
CC1CC[NH+](CC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300001851064	1	43	0.0	-58.69	345.77	8.66	-50.03
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300001851075	1	41	0.0	-54.92	331.49	7.04	-47.88
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300001851075	1	41	0.0	-70.75	338.60	7.23	-63.52
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300001851104	1	50	0.0	-76.01	405.18	9.66	-66.35
O=C([O-])C(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=CC(F)=CC=C1F	REAL300001851105	0	50	0.0	-64.44	388.67	10.09	-54.35
O=C([O-])C(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=CC(F)=CC=C1F	REAL300001851105	1	50	0.0	-67.82	388.74	9.98	-57.84
C[N@@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851111	0	43	0.0	-68.82	350.83	8.59	-60.23
C[N@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851111	1	43	0.0	-67.03	345.17	8.20	-58.83
O=C([O-])C(NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC(F)=CC=C1F	REAL300001851122	0	44	0.0	-56.14	351.06	9.11	-47.03
O=C([O-])C(NC(=O)C1CCC2CCCC[N@H+]21)C1=CC(F)=CC=C1F	REAL300001851122	1	44	0.0	-55.37	351.24	9.08	-46.29
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851141	0	39	0.0	-58.12	318.86	7.54	-50.58
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300001851143	0	46	0.0	-69.23	358.63	8.71	-60.52
O=C([O-])C(NC(=O)C12CC[NH+](CC1)C2)C1=CC(F)=CC=C1F	REAL300001851209	0	38	0.0	-71.15	314.88	6.66	-64.49
CCC(C(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)[NH+](C)C	REAL300001851212	0	39	0.0	-60.14	313.81	7.08	-53.06
O=C([O-])C(NC(=O)C12CC[N@H+](C1)CCC2)C1=CC(F)=CC=C1F	REAL300001851219	0	41	0.0	-76.60	325.42	7.35	-69.25
O=C([O-])C(NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC(F)=CC=C1F	REAL300001851219	1	41	0.0	-72.74	324.30	7.45	-65.29
CC1CCC(C)[NH+]1CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851258	0	43	0.0	-57.42	340.53	8.15	-49.27
C[NH+](C)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300001851259	0	43	0.0	-76.70	361.54	9.60	-67.10
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=CC(F)=CC=C1F	REAL300001851260	0	50	0.0	-64.98	404.59	11.30	-53.68
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC(F)=CC=C1F	REAL300001851260	1	50	0.0	-64.25	404.25	11.36	-52.89
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300001851314	0	42	0.0	-72.99	352.41	8.99	-64.00
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300001851316	0	48	0.0	-73.94	381.55	6.72	-67.22
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300001851316	1	48	0.0	-64.95	381.80	6.82	-58.13
CC(C)[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851317	0	39	0.0	-57.82	317.86	7.30	-50.52
CC(C)[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851317	1	39	0.0	-56.74	317.05	7.36	-49.38
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851322	1	44	0.0	-61.27	368.85	9.26	-52.01
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1CC1	REAL300001851329	0	40	0.0	-56.39	332.61	8.17	-48.22
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1CC1	REAL300001851329	1	40	0.0	-56.67	328.26	7.92	-48.75
CC(C(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)[NH+]1CCCCCC1	REAL300001851356	0	46	0.0	-58.86	347.88	8.81	-50.05
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)=CC=C1N2	REAL300001851393	1	48	0.0	-83.92	396.37	10.04	-73.88
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)=CC=C1N2	REAL300001851393	1	48	0.0	-83.86	396.56	10.03	-73.83
CC(C)(C)[NH2+]CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851429	0	39	0.0	-57.17	322.14	5.89	-51.28
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)O1	REAL300001851431	0	46	0.0	-75.63	383.58	9.31	-66.32
O=C([O-])C(NC(=O)CCCC[NH+]1CCCC1)C1=CC(F)=CC=C1F	REAL300001851432	0	46	0.0	-72.69	374.72	9.44	-63.25
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)CC2)[NH+]=C1	REAL300001851434	1	49	0.0	-71.14	397.47	9.20	-61.94
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)CC1=CC=CC=C1	REAL300001851435	1	43	0.0	-63.09	360.11	9.70	-53.39
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)CC1=CC=CC=C1	REAL300001851435	1	43	0.0	-61.92	359.28	9.76	-52.16
O=C([O-])C(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=CC(F)=CC=C1F	REAL300001851460	1	38	0.0	-78.46	342.51	7.62	-70.84
C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=NO1	REAL300001851482	1	39	0.0	-80.17	341.49	7.08	-73.09
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851486	0	50	0.0	-70.85	407.92	11.16	-59.69
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851486	1	50	0.0	-67.30	399.66	10.93	-56.37
CC(C)[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851499	0	43	0.0	-58.70	342.30	8.24	-50.46
CC(C)[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300001851499	1	43	0.0	-61.20	336.23	8.37	-52.83
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300001851517	0	44	0.0	-79.02	363.39	8.20	-70.82
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=CC(F)=CC=C1F	REAL300001851522	0	47	0.0	-76.50	387.70	9.74	-66.76
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300001851670	0	46	0.0	-65.39	367.16	9.14	-56.25
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300001851670	1	46	0.0	-53.86	362.02	9.62	-44.24
O=C([O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C1=CC(F)=CC=C1F	REAL300001851695	1	44	0.0	-59.55	357.05	5.36	-54.19
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300001851871	0	46	0.0	-54.48	353.82	9.10	-45.38
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300001851871	1	46	0.0	-63.23	362.09	8.98	-54.25
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C(F)(F)F)C1	REAL300001851872	0	40	0.0	-71.80	346.53	7.99	-63.81
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C(F)(F)F)C1	REAL300001851872	1	40	0.0	-67.10	347.41	7.85	-59.25
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)N1	REAL300001851896	1	41	0.0	-60.87	352.86	7.44	-53.43
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300001852287	0	46	0.0	-79.47	384.03	10.44	-69.03
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300001852294	0	47	0.0	-83.37	391.07	9.47	-73.90
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300001852409	0	40	0.0	-66.10	332.14	7.88	-58.22
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300001852413	0	46	0.0	-57.81	357.15	9.08	-48.73
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)=CN12	REAL300001852417	0	38	0.0	-66.73	334.71	9.46	-57.27
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300001852467	0	49	0.0	-66.72	384.75	9.84	-56.88
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300001852467	1	49	0.0	-56.15	375.36	10.07	-46.08
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300001852468	0	43	0.0	-63.78	344.81	8.43	-55.35
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300001852468	1	43	0.0	-65.87	345.42	8.44	-57.43
C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300001852472	0	40	0.0	-69.01	328.02	7.74	-61.27
C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300001852472	1	40	0.0	-68.49	327.72	7.79	-60.70
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)O1	REAL300001852474	1	40	0.0	-79.70	347.73	7.99	-71.71
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC(F)=CC=C1F	REAL300001852482	1	42	0.0	-53.21	340.00	9.56	-43.65
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC(F)=CC=C1F	REAL300001852482	1	42	0.0	-62.09	347.43	8.82	-53.27
CCC(C)(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001853372	0	49	0.0	-72.96	361.65	9.69	-63.27
CCC(C)(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300001854444	1	48	0.0	-74.27	369.12	7.45	-66.82
CCC(C)(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001854479	0	52	0.0	-78.67	394.64	9.22	-69.45
CCC(C)(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001854484	0	52	0.0	-77.70	395.43	11.56	-66.14
CCC(C)(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001854484	1	52	0.0	-75.60	395.43	11.57	-64.03
CCC(C)(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300001854571	0	42	0.0	-78.89	329.72	7.10	-71.79
CCC(C)(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300001854588	0	50	0.0	-50.03	342.39	6.37	-43.66
CC[N@H+](CC1=CC=C(C(=O)NC(C)(CC)C(=O)[O-])C=C1)C(C)C	REAL300001854600	0	51	0.0	-81.24	359.87	9.43	-71.81
CC[N@@H+](CC1=CC=C(C(=O)NC(C)(CC)C(=O)[O-])C=C1)C(C)C	REAL300001854600	1	51	0.0	-80.05	358.86	9.33	-70.72
CCC(C)(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001854614	0	46	0.0	-64.22	345.22	8.92	-55.30
CCC(C)(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001854614	1	46	0.0	-64.20	345.58	8.93	-55.27
CCC(C)(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300001854615	0	47	0.0	-77.02	344.38	8.34	-68.68
CCC(C)(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300001854633	0	50	0.0	-64.99	337.32	6.09	-58.90
CCC(C)(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001854640	0	52	0.0	-68.61	384.23	10.52	-58.09
CCC(C)(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001854640	1	52	0.0	-51.16	375.12	10.55	-40.61
CCC(C)(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300001854674	0	46	0.0	-80.78	342.64	9.05	-71.73
CCC(C)(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300001854677	0	49	0.0	-72.82	360.28	9.82	-63.00
CCN1CCC([NH+]2CCC(C(=O)NC(C)(CC)C(=O)[O-])CC2)CC1	REAL300001854683	0	57	0.0	-67.61	391.50	7.17	-60.44
CCC(C)(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300001854688	1	53	0.0	-85.12	393.55	8.86	-76.26
CCC(C)(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001854697	1	50	0.0	-77.10	368.12	8.68	-68.42
CCC(C)(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001854697	1	50	0.0	-76.55	374.91	8.73	-67.82
CCC(C)(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300001854710	1	40	0.0	-78.61	314.73	6.26	-72.35
CCC(C)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300001854713	0	49	0.0	-81.59	359.97	9.78	-71.81
CCC(C)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001854724	1	47	0.0	-55.27	345.35	7.92	-47.35
CCC(C)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001854724	1	47	0.0	-69.43	354.71	8.12	-61.31
CCC(C)(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001854732	0	55	0.0	-53.71	393.43	10.72	-42.99
CCC(C)(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300001854749	0	49	0.0	-64.08	368.76	5.09	-58.99
CCC(C)(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300001854749	1	49	0.0	-62.91	368.70	5.08	-57.83
CCC(C)(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001854755	0	54	0.0	-70.68	394.87	8.60	-62.08
CCC(C)(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300001854771	0	53	0.0	-68.22	377.43	6.44	-61.78
CCC(C)(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300001854771	1	53	0.0	-66.63	373.74	6.23	-60.40
CCC(C)(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300001854775	0	54	0.0	-66.61	394.78	8.46	-58.15
CCC(C)(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001854776	0	51	0.0	-66.30	373.37	7.80	-58.50
CCC(C)(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001854779	0	48	0.0	-60.89	347.56	7.92	-52.97
CCC(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001854779	1	48	0.0	-63.84	350.34	8.01	-55.83
CCC(C)(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300001854782	1	46	0.0	-56.75	335.61	8.95	-47.80
CCC(C)(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300001854782	1	46	0.0	-53.51	337.25	8.76	-44.75
CCC(C)(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001854796	0	49	0.0	-69.79	362.91	9.57	-60.22
CCC(C)(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001854796	1	49	0.0	-71.20	366.03	9.66	-61.54
CCC(C)(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001854807	0	49	0.0	-65.58	368.11	9.72	-55.86
CCC(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001854807	1	49	0.0	-63.79	368.09	9.71	-54.08
CCC(C)(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001854809	0	50	0.0	-66.00	371.10	7.21	-58.79
CCC(C)(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300001854822	1	49	0.0	-78.65	358.11	7.89	-70.76
CCC(C)(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300001854833	0	51	0.0	-70.81	377.40	7.39	-63.42
CCC(C)(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300001854834	0	51	0.0	-80.04	376.45	7.21	-72.83
CCC(C)(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300001854834	1	51	0.0	-82.18	376.80	7.28	-74.90
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300001854835	0	52	0.0	-80.25	383.71	9.11	-71.14
CCC(C)(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001854859	0	53	0.0	-85.12	391.95	7.14	-77.98
CCC(C)(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001854861	0	49	0.0	-54.75	352.62	9.69	-45.06
CCC(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001854861	1	49	0.0	-61.31	361.67	9.65	-51.66
CCC(C)(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001854926	1	47	0.0	-80.82	353.51	8.41	-72.41
CCC(C)(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001854926	1	47	0.0	-81.07	353.73	8.37	-72.70
CCC(C)(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300001854959	1	48	0.0	-69.64	354.61	7.55	-62.09
CCC(C)(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300001854962	0	54	0.0	-82.34	386.73	8.33	-74.01
CCC(C)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001854983	0	49	0.0	-65.67	362.14	9.45	-56.22
CCC(C)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001854983	1	49	0.0	-74.15	365.38	9.49	-64.66
CCC(C)(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001854996	0	50	0.0	-83.19	383.04	8.96	-74.23
CCC(C)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300001855005	0	46	0.0	-77.22	345.66	8.09	-69.13
CCC(C)(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001855400	0	46	0.0	-82.56	348.51	7.77	-74.79
CCC(C)(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001855444	0	52	0.0	-66.83	380.28	10.33	-56.50
CCC(C)(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001855446	1	50	0.0	-83.33	366.08	8.14	-75.19
CCC(C)(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001855446	1	50	0.0	-84.51	366.12	8.14	-76.37
CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300001856569	0	53	0.0	-75.76	401.48	12.16	-63.60
CC(NC(=O)C1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300001857905	0	47	0.0	-71.73	349.84	9.79	-61.94
CC1=[NH+]C=C2CCC(C(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)CN21	REAL300001857933	1	45	0.0	-62.99	348.01	9.67	-53.32
CC1=NC(C[NH+]2CCC(C(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)CC2)=CS1	REAL300001857999	1	52	0.0	-75.23	408.91	9.92	-65.31
CC(C(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300001858000	1	48	0.0	-70.11	351.33	6.68	-63.43
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300001858072	0	56	0.0	-82.12	434.41	11.70	-70.42
CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858129	0	38	0.0	-71.05	310.55	10.46	-60.59
C[NH+](C)CC1(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CCCCC1	REAL300001858155	0	52	0.0	-52.07	362.29	10.24	-41.83
C[N@H+](CCC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300001858159	0	52	0.0	-65.58	378.82	10.53	-55.05
C[N@@H+](CCC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300001858159	1	52	0.0	-66.17	378.81	10.52	-55.65
CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858219	0	46	0.0	-80.66	368.97	9.41	-71.25
CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858235	0	54	0.0	-67.70	385.60	8.97	-58.73
CC1=[NH+]C=CN1CCCC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300001858262	1	44	0.0	-66.50	351.37	9.84	-56.66
CC(NC(=O)CCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858263	1	50	0.0	-75.05	378.66	8.52	-66.53
CC[N@H+](CC1=CC=C(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300001858264	0	55	0.0	-83.94	399.08	11.64	-72.30
CC[N@@H+](CC1=CC=C(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300001858264	1	55	0.0	-81.65	398.28	11.63	-70.02
CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858283	0	50	0.0	-65.59	383.54	11.31	-54.28
CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858283	1	50	0.0	-65.56	385.38	11.41	-54.15
CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858284	0	51	0.0	-77.49	380.19	10.58	-66.91
CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858312	0	54	0.0	-66.19	376.09	8.55	-57.64
CCC(C(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+](CC)CC	REAL300001858316	0	48	0.0	-51.45	346.59	9.11	-42.34
CC(C(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001858318	0	49	0.0	-57.63	374.67	10.89	-46.74
CC(C(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001858318	1	49	0.0	-60.94	375.05	10.88	-50.06
CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858326	0	56	0.0	-59.68	417.78	13.12	-46.56
CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858326	1	56	0.0	-68.89	424.02	12.99	-55.90
C[NH+](C)CC1=CC=C(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300001858340	0	45	0.0	-80.72	354.35	8.97	-71.75
CCC[NH+](CCC)CCCC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300001858348	0	54	0.0	-68.39	398.62	10.88	-57.51
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300001858356	1	44	0.0	-55.37	343.66	9.54	-45.83
CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858371	0	50	0.0	-85.03	383.35	11.60	-73.43
CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858376	0	53	0.0	-75.56	400.10	12.30	-63.26
CCN1CCC([NH+]2CCC(C(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)CC2)CC1	REAL300001858381	0	61	0.0	-72.79	431.32	9.65	-63.14
CC1C[NH+](CC2=CC=C(C(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=C2)CC(C)O1	REAL300001858387	1	57	0.0	-86.63	433.41	11.33	-75.30
CC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858398	1	54	0.0	-78.37	407.94	11.16	-67.21
CC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858398	1	54	0.0	-78.70	414.73	11.21	-67.49
CC1=C(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=NN1C1=CC=[NH+]C=C1	REAL300001858414	1	44	0.0	-80.63	356.04	8.80	-71.83
CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858417	0	53	0.0	-84.55	399.79	12.25	-72.30
CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858428	1	46	0.0	-78.75	363.80	9.08	-69.67
C[NH+](C)CCC1=CC=C(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300001858429	0	49	0.0	-88.12	381.02	11.29	-76.83
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300001858435	1	42	0.0	-58.61	329.98	7.94	-50.67
CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858436	1	51	0.0	-71.61	387.37	10.39	-61.22
CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300001858436	1	51	0.0	-58.64	385.22	10.42	-48.22
CC(C(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001858445	0	59	0.0	-57.21	432.68	13.27	-43.94
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CC(C)(CCC(=O)[O-])NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001871723	0	55	0.0	-66.62	403.70	10.46	-56.16
CC1C[N@H+](CC2=CC=C(C(=O)NC(C)(C)CCC(=O)[O-])C=C2)CCO1	REAL300001871725	1	53	0.0	-74.61	389.48	8.19	-66.42
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C)(C)CCC(=O)[O-])C=C2)CCO1	REAL300001871725	1	53	0.0	-74.78	389.55	8.19	-66.59
CCCN(CC(=O)[O-])C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001872667	0	49	0.0	-57.63	375.55	11.21	-46.42
CCCN(CC(=O)[O-])C(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1	REAL300001873739	1	48	0.0	-76.10	380.18	8.89	-67.21
CCCN(CC(=O)[O-])C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001873774	0	52	0.0	-67.08	410.18	10.92	-56.16
CCCN(CC(=O)[O-])C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300001873779	0	52	0.0	-71.74	404.60	12.75	-58.99
CCCN(CC(=O)[O-])C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300001873779	1	52	0.0	-71.51	404.50	12.76	-58.75
CCCN(CC(=O)[O-])C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300001873866	0	42	0.0	-71.28	340.17	8.36	-62.92
CCCN(CC(=O)[O-])C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300001873883	0	50	0.0	-60.33	357.22	8.05	-52.28
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1	REAL300001873895	0	51	0.0	-65.93	369.91	10.48	-55.45
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1	REAL300001873895	1	51	0.0	-64.29	374.80	10.79	-53.50
CCCN(CC(=O)[O-])C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001873909	0	46	0.0	-50.33	350.86	10.30	-40.03
CCCN(CC(=O)[O-])C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001873909	1	46	0.0	-50.27	355.86	10.40	-39.87
CCCN(CC(=O)[O-])C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001873910	0	47	0.0	-62.88	351.81	9.52	-53.36
CCCN(CC(=O)[O-])C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300001873928	0	50	0.0	-49.11	352.08	8.08	-41.03
CCCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001873935	0	52	0.0	-59.89	398.02	12.05	-47.84
CCCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001873935	1	52	0.0	-52.34	395.77	11.94	-40.40
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300001873969	0	46	0.0	-67.41	352.56	10.30	-57.11
CCCN(CC(=O)[O-])C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001873972	0	49	0.0	-70.11	372.28	11.11	-59.00
CCCN(CC(=O)[O-])C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1	REAL300001873978	0	57	0.0	-57.75	405.30	8.70	-49.05
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300001873983	1	53	0.0	-70.54	403.47	10.11	-60.43
CCCN(CC(=O)[O-])C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001873992	1	50	0.0	-59.39	383.66	10.64	-48.75
CCCN(CC(=O)[O-])C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001873992	1	50	0.0	-57.91	385.23	10.50	-47.41
CCCN(CC(=O)[O-])C(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1	REAL300001874005	1	40	0.0	-75.39	326.88	7.64	-67.75
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001874008	0	49	0.0	-67.83	369.88	11.03	-56.80
CCCN(CC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001874019	1	47	0.0	-58.95	359.28	9.84	-49.11
CCCN(CC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001874019	1	47	0.0	-57.47	354.74	9.67	-47.80
CCCN(CC(=O)[O-])C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001874027	0	55	0.0	-41.22	405.33	12.33	-28.89
CCCN(CC(=O)[O-])C(=O)CC[N@H+](C)CCOCCOC	REAL300001874044	0	49	0.0	-50.46	384.29	6.81	-43.65
CCCN(CC(=O)[O-])C(=O)CC[N@@H+](C)CCOCCOC	REAL300001874044	1	49	0.0	-52.13	384.24	6.80	-45.33
CCCN(CC(=O)[O-])C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001874050	0	54	0.0	-58.57	410.41	10.32	-48.25
CCCN(CC(=O)[O-])C(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300001874066	0	53	0.0	-60.11	392.96	8.16	-51.95
CCCN(CC(=O)[O-])C(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300001874066	1	53	0.0	-54.39	389.27	7.94	-46.45
CCCN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300001874070	0	54	0.0	-52.85	410.31	10.19	-42.66
CCCN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001874071	0	51	0.0	-52.46	388.91	9.52	-42.94
CCCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300001874074	0	48	0.0	-53.13	361.43	9.54	-43.59
CCCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300001874074	1	48	0.0	-56.87	359.30	9.58	-47.29
CCCN(CC(=O)[O-])C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001874077	1	46	0.0	-40.65	349.19	10.43	-30.22
CCCN(CC(=O)[O-])C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300001874077	1	46	0.0	-39.00	351.91	10.41	-28.59
CCCN(CC(=O)[O-])C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001874091	0	49	0.0	-57.76	378.45	11.33	-46.43
CCCN(CC(=O)[O-])C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001874091	1	49	0.0	-57.44	376.36	11.22	-46.22
CCCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300001874102	0	49	0.0	-53.33	372.94	11.37	-41.96
CCCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300001874102	1	49	0.0	-54.32	370.79	11.41	-42.91
CCCN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300001874104	0	50	0.0	-51.39	386.63	8.94	-42.45
CCCN(CC(=O)[O-])C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300001874128	0	51	0.0	-71.14	389.39	8.69	-62.45
CCCN(CC(=O)[O-])C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300001874129	0	51	0.0	-71.48	388.46	8.51	-62.97
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300001874129	1	51	0.0	-68.04	386.71	8.53	-59.51
CCCN(CC(=O)[O-])C(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300001874130	0	52	0.0	-69.22	389.70	10.07	-59.15
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001874154	0	53	0.0	-71.08	401.88	8.39	-62.69
CCCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001874156	0	49	0.0	-48.26	366.51	11.30	-36.96
CCCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001874156	1	49	0.0	-57.82	367.87	11.22	-46.60
CCCN(CC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300001874221	1	47	0.0	-62.49	365.70	9.69	-52.80
CCCN(CC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300001874221	1	47	0.0	-76.46	362.38	9.47	-66.99
CCCN(CC(=O)[O-])C(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300001874254	1	48	0.0	-56.51	368.47	9.05	-47.46
CCCN(CC(=O)[O-])C(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300001874257	0	54	0.0	-69.61	396.65	9.59	-60.02
CCCN(CC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300001874278	0	49	0.0	-59.17	378.89	11.05	-48.12
CCCN(CC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300001874278	1	49	0.0	-50.01	376.07	11.25	-38.76
CCCN(CC(=O)[O-])C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001874291	0	50	0.0	-69.40	397.97	10.66	-58.74
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001874300	0	46	0.0	-55.40	358.12	9.90	-45.50
CCCN(CC(=O)[O-])C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300001874695	0	46	0.0	-67.47	358.43	9.02	-58.45
CCCN(CC(=O)[O-])C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001874739	0	52	0.0	-56.81	395.81	12.12	-44.69
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300001874741	1	50	0.0	-69.26	376.00	9.40	-59.86
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300001874741	1	50	0.0	-69.49	376.04	9.40	-60.09
CCN(CC(=O)[O-])C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001875769	0	46	0.0	-52.80	350.20	10.34	-42.46
CCN(CC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300001876880	1	43	0.0	-48.87	351.67	10.34	-38.53
CCN(CC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300001876880	1	43	0.0	-61.26	342.13	9.77	-51.49
CCN(CC(=O)[O-])C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300001876922	0	46	0.0	-42.43	346.34	9.89	-32.54
CCN(CC(=O)[O-])C(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1	REAL300001876954	1	45	0.0	-56.17	359.80	8.18	-47.99
CCN(CC(=O)[O-])C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001876986	0	49	0.0	-77.11	387.04	10.12	-66.99
CCN(CC(=O)[O-])C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300001876991	0	49	0.0	-75.80	384.52	12.04	-63.76
CCN(CC(=O)[O-])C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300001876991	1	49	0.0	-75.13	385.99	12.10	-63.03
CCN(CC(=O)[O-])C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300001876992	0	49	0.0	-38.42	353.05	10.27	-28.15
CCN(CC(=O)[O-])C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300001877018	0	46	0.0	-63.50	357.44	9.76	-53.74
CCN(CC(=O)[O-])C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001877018	1	46	0.0	-61.99	357.50	10.03	-51.96
CCN(CC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300001877046	1	46	0.0	-61.05	356.21	10.51	-50.54
CCN(CC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300001877046	1	46	0.0	-48.26	353.20	10.44	-37.82
CCN(CC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300001877047	1	43	0.0	-49.81	341.35	9.89	-39.92
CCN(CC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300001877047	1	43	0.0	-61.98	331.81	9.31	-52.67
CCN(CC(=O)[O-])C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300001877086	0	49	0.0	-80.08	388.13	9.94	-70.14
CCN(CC(=O)[O-])C(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1	REAL300001877112	0	48	0.0	-78.54	347.32	9.68	-68.86
CCN(CC(=O)[O-])C(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1	REAL300001877112	1	48	0.0	-64.31	353.23	10.04	-54.27
CCN(CC(=O)[O-])C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001877126	0	44	0.0	-65.59	330.73	8.80	-56.79
CCN(CC(=O)[O-])C(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300001877143	1	48	0.0	-72.62	364.50	8.21	-64.41
CCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001877149	0	49	0.0	-53.22	368.32	11.42	-41.80
CCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001877149	1	49	0.0	-53.73	374.31	11.18	-42.55
CCN(CC(=O)[O-])C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300001877178	1	47	0.0	-59.47	356.02	7.02	-52.45
CCN(CC(=O)[O-])C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001877191	0	46	0.0	-70.15	350.85	10.35	-59.80
CCN(CC(=O)[O-])C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1	REAL300001877196	0	54	0.0	-52.80	379.96	7.82	-44.98
CCN(CC(=O)[O-])C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1	REAL300001877198	0	56	0.0	-60.58	435.08	13.82	-46.76
CCN(CC(=O)[O-])C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1	REAL300001877198	1	56	0.0	-47.92	434.21	13.82	-34.10
CCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300001877202	1	50	0.0	-70.63	382.03	9.31	-61.32
CCN(CC(=O)[O-])C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001877212	1	47	0.0	-79.71	355.31	9.63	-70.08
CCN(CC(=O)[O-])C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001877212	1	47	0.0	-74.90	367.31	9.89	-65.01
CCN(CC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300001877225	0	46	0.0	-43.41	342.94	10.16	-33.25
CCN(CC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300001877225	1	46	0.0	-58.08	340.32	9.97	-48.11
CCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001877228	0	46	0.0	-67.91	348.45	10.23	-57.68
CCN(CC(=O)[O-])C(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300001877235	0	56	0.0	-69.39	420.95	13.30	-56.09
CCN(CC(=O)[O-])C(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300001877235	1	56	0.0	-69.22	421.12	13.27	-55.95
CCN(CC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001877238	1	44	0.0	-53.84	337.45	9.08	-44.76
CCN(CC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001877238	1	44	0.0	-34.91	333.94	8.95	-25.96
CCN(CC(=O)[O-])C(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C	REAL300001877239	0	53	0.0	-69.74	394.56	10.53	-59.21
CCN(CC(=O)[O-])C(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C	REAL300001877239	1	53	0.0	-70.83	401.33	10.96	-59.87
CCN(CC(=O)[O-])C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001877246	0	52	0.0	-39.79	383.35	11.55	-28.24
CCN(CC(=O)[O-])C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001877265	0	51	0.0	-72.44	387.28	9.50	-62.94
CCN(CC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300001877266	1	45	0.0	-47.29	338.02	8.42	-38.87
CCN(CC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300001877266	1	45	0.0	-34.58	334.48	8.26	-26.32
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CCN(CC(=O)[O-])C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001877307	0	46	0.0	-72.42	357.63	10.58	-61.84
CCN(CC(=O)[O-])C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001877307	1	46	0.0	-72.57	358.48	10.61	-61.96
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CCN(CC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300001877346	1	51	0.0	-65.34	377.60	9.03	-56.31
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CCN(CC(=O)[O-])C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1	REAL300001877349	1	46	0.0	-56.48	333.85	7.19	-49.29
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CCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001877381	0	50	0.0	-84.27	379.36	7.60	-76.67
CCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001877383	0	46	0.0	-51.90	345.76	10.55	-41.35
CCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001877383	1	46	0.0	-68.80	344.82	10.09	-58.71
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CCN(CC(=O)[O-])C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001877423	1	44	0.0	-44.47	333.92	7.13	-37.34
CCN(CC(=O)[O-])C(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1	REAL300001877426	0	42	0.0	-57.27	329.37	9.29	-47.98
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CCN(CC(=O)[O-])C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1	REAL300001877442	1	44	0.0	-54.50	345.16	10.14	-44.36
CCN(CC(=O)[O-])C(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1	REAL300001877443	1	49	0.0	-41.40	349.19	7.66	-33.74
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COCCN(CCC(=O)[O-])C(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1	REAL300001880403	1	52	0.0	-84.25	411.38	7.70	-76.55
COCCN(CCC(=O)[O-])C(=O)C(C)N1CC[NH+](C)CC1	REAL300001880404	1	48	0.0	-77.19	358.52	4.63	-72.56
COCCN(CCC(=O)[O-])C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001880471	0	56	0.0	-63.56	439.45	9.65	-53.91
COCCN(CCC(=O)[O-])C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300001880477	0	56	0.0	-69.88	436.29	11.56	-58.32
COCCN(CCC(=O)[O-])C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300001880477	1	56	0.0	-82.81	436.23	11.63	-71.18
COCCN(CCC(=O)[O-])C(=O)C1(C[NH+](C)C)CCCCC1	REAL300001880545	0	52	0.0	-50.55	349.89	8.17	-42.38
COCCN(CCC(=O)[O-])C(=O)CC[N@H+](C)C1CCCCC1	REAL300001880547	0	52	0.0	-52.30	383.78	8.50	-43.80
COCCN(CCC(=O)[O-])C(=O)CC[N@@H+](C)C1CCCCC1	REAL300001880547	1	52	0.0	-52.67	383.79	8.49	-44.18
COCCN(CCC(=O)[O-])C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300001880607	0	46	0.0	-81.92	368.42	7.18	-74.74
COCCN(CCC(=O)[O-])C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300001880625	0	54	0.0	-67.73	387.67	6.84	-60.89
COCCN(CCC(=O)[O-])C(=O)CCCC[NH+]1CCOCC1	REAL300001880649	1	50	0.0	-60.73	383.65	6.49	-54.24
CC[N@H+](CC1=CC=C(C(=O)N(CCOC)CCC(=O)[O-])C=C1)C(C)C	REAL300001880650	0	55	0.0	-83.40	402.33	9.12	-74.28
CC[N@@H+](CC1=CC=C(C(=O)N(CCOC)CCC(=O)[O-])C=C1)C(C)C	REAL300001880650	1	55	0.0	-59.16	398.77	9.17	-49.99
COCCN(CCC(=O)[O-])C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001880667	0	50	0.0	-68.78	379.39	9.21	-59.57
COCCN(CCC(=O)[O-])C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001880667	1	50	0.0	-69.24	381.81	9.33	-59.91
COCCN(CCC(=O)[O-])C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001880668	0	51	0.0	-84.28	382.64	8.34	-75.94
COCCN(CCC(=O)[O-])C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300001880692	0	54	0.0	-53.09	381.94	6.81	-46.28
COCCN(CCC(=O)[O-])C(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300001880695	0	49	0.0	-72.28	376.34	8.63	-63.65
COCCN(CCC(=O)[O-])C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300001880695	1	49	0.0	-71.99	378.55	8.83	-63.16
COCCN(CCC(=O)[O-])C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001880702	0	56	0.0	-72.01	425.30	10.95	-61.06
COCCN(CCC(=O)[O-])C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001880702	1	56	0.0	-51.69	419.07	11.54	-40.15
COCCN(CCC(=O)[O-])C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300001880718	0	45	0.0	-56.05	355.28	6.12	-49.93
CCC[NH+](CCC)CCCC(=O)N(CCOC)CCC(=O)[O-]	REAL300001880725	0	54	0.0	-56.81	403.51	8.82	-47.99
COCCN(CCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300001880743	0	50	0.0	-87.09	381.92	9.09	-78.00
COCCN(CCC(=O)[O-])C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001880748	0	53	0.0	-78.51	401.08	9.88	-68.63
CCN1CCC([NH+]2CCC(C(=O)N(CCOC)CCC(=O)[O-])CC2)CC1	REAL300001880754	0	61	0.0	-79.54	431.89	7.48	-72.06
COCCN(CCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300001880761	1	57	0.0	-91.35	432.85	8.91	-82.44
COCCN(CCC(=O)[O-])C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001880771	1	54	0.0	-58.30	414.23	9.35	-48.95
COCCN(CCC(=O)[O-])C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001880771	1	54	0.0	-60.22	412.99	9.36	-50.86
COCCN(CCC(=O)[O-])C(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1	REAL300001880785	1	44	0.0	-83.08	363.83	6.55	-76.53
COCCN(CCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001880788	0	53	0.0	-87.83	399.25	9.82	-78.01
COCCN(CCC(=O)[O-])C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300001880799	1	46	0.0	-80.72	366.81	7.36	-73.36
COCCN(CCC(=O)[O-])C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300001880800	0	49	0.0	-89.84	380.50	8.87	-80.97
COCCN(CCC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001880805	1	51	0.0	-45.54	383.86	8.79	-36.75
COCCN(CCC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001880805	1	51	0.0	-50.19	388.21	8.98	-41.21
COCCN(CCC(=O)[O-])C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001880814	0	59	0.0	-75.93	437.73	10.89	-65.04
COCCN(CCC(=O)[O-])C(=O)C(C)[NH+]1CCSCC1	REAL300001880838	1	44	0.0	-48.91	342.04	6.79	-42.12
COCCN(CCC(=O)[O-])C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300001880845	0	49	0.0	-53.52	384.52	9.30	-44.22
COCCN(CCC(=O)[O-])C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300001880845	1	49	0.0	-53.39	384.51	9.30	-44.09
COCCOCC[N@H+](C)CCC(=O)N(CCOC)CCC(=O)[O-]	REAL300001880846	0	53	0.0	-54.96	413.51	5.52	-49.44
COCCOCC[N@@H+](C)CCC(=O)N(CCOC)CCC(=O)[O-]	REAL300001880846	1	53	0.0	-54.77	413.56	5.53	-49.24
COCCN(CCC(=O)[O-])C(=O)CC1(O)CCC[N@H+](C)C1	REAL300001880849	0	47	0.0	-53.83	355.52	5.24	-48.59
COCCN(CCC(=O)[O-])C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300001880849	1	47	0.0	-54.88	352.82	5.33	-49.55
COCCN(CCC(=O)[O-])C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001880854	0	58	0.0	-60.54	439.68	9.04	-51.50
CCCCCC[N@H+](C)CC(=O)N(CCOC)CCC(=O)[O-]	REAL300001880855	0	51	0.0	-50.23	389.09	8.61	-41.62
CCCCCC[N@@H+](C)CC(=O)N(CCOC)CCC(=O)[O-]	REAL300001880855	1	51	0.0	-50.27	389.10	8.61	-41.66
COCCN(CCC(=O)[O-])C(=O)C[N@H+](C)C1CCSC1	REAL300001880877	0	44	0.0	-52.48	344.72	7.08	-45.40
COCCN(CCC(=O)[O-])C(=O)C[N@@H+](C)C1CCSC1	REAL300001880877	1	44	0.0	-52.15	346.10	7.09	-45.06
COCCN(CCC(=O)[O-])C(=O)CCN1CC[NH+](C(C)C)CC1	REAL300001880887	0	54	0.0	-55.69	400.72	6.07	-49.62
COCCN(CCC(=O)[O-])C(=O)CC[NH+]1CCN(C(C)C)CC1	REAL300001880887	1	54	0.0	-53.01	397.04	5.86	-47.15
COCCN(CCC(=O)[O-])C(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300001880888	0	57	0.0	-59.49	422.23	6.88	-52.61
COCCN(CCC(=O)[O-])C(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300001880888	1	57	0.0	-56.49	418.54	6.66	-49.83
COCCN(CCC(=O)[O-])C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300001880890	0	46	0.0	-71.89	363.97	5.99	-65.90
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CC(C)N(CCC(=O)[O-])C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001884791	1	52	0.0	-78.70	392.40	11.35	-67.35
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CC(C)N(CCC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300001884808	1	52	0.0	-75.75	393.93	11.22	-64.53
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CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300001884852	1	54	0.0	-82.34	394.46	8.21	-74.13
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CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001884906	0	56	0.0	-84.44	409.70	8.08	-76.36
CC(C)N(CCC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001884908	0	52	0.0	-70.64	387.68	11.16	-59.48
CC(C)N(CCC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001884908	1	52	0.0	-71.73	387.51	11.15	-60.58
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CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300001884988	1	50	0.0	-79.72	372.14	9.39	-70.33
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CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300001885031	0	57	0.0	-60.76	404.59	9.39	-51.37
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CC(C)N(CCC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300001885062	0	52	0.0	-53.77	383.22	10.97	-42.80
CC(C)N(CCC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300001885062	1	52	0.0	-46.64	389.45	11.16	-35.48
CC(C)N(CCC(=O)[O-])C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001885077	0	53	0.0	-64.88	408.54	10.58	-54.30
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001885089	0	49	0.0	-49.78	366.92	9.84	-39.94
CC(C)N(CCC(=O)[O-])C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300001885333	0	42	0.0	-59.51	320.07	7.56	-51.95
CC(C)N(CCC(=O)[O-])C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300001885333	1	42	0.0	-81.25	325.57	7.52	-73.73
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300001885620	0	48	0.0	-76.46	359.57	9.75	-66.71
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300001885623	0	49	0.0	-81.75	360.69	8.47	-73.28
CC(C)N(CCC(=O)[O-])C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001885683	0	55	0.0	-72.23	407.01	12.02	-60.21
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300001885685	1	53	0.0	-83.60	383.76	9.07	-74.53
CC(C)N(CCC(=O)[O-])C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300001885685	1	53	0.0	-83.22	384.54	9.18	-74.04
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COCCN(CC(=O)[O-])C(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1	REAL300001887988	1	49	0.0	-56.96	390.37	7.97	-48.99
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COCCN(CC(=O)[O-])C(=O)CC[N@H+](C)C1CCCCC1	REAL300001888100	0	49	0.0	-49.25	364.40	8.20	-41.05
COCCN(CC(=O)[O-])C(=O)CC[N@@H+](C)C1CCCCC1	REAL300001888100	1	49	0.0	-50.42	364.40	8.18	-42.24
COCCN(CC(=O)[O-])C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300001888152	0	43	0.0	-80.27	347.42	6.82	-73.45
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COCCN(CC(=O)[O-])C(=O)CCCC[NH+]1CCOCC1	REAL300001888192	1	47	0.0	-61.26	364.26	6.19	-55.07
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CC[N@@H+](CC1=CC=C(C(=O)N(CCOC)CC(=O)[O-])C=C1)C(C)C	REAL300001888193	1	52	0.0	-66.87	379.57	8.91	-57.96
COCCN(CC(=O)[O-])C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001888208	0	47	0.0	-51.32	360.74	8.71	-42.61
COCCN(CC(=O)[O-])C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001888208	1	47	0.0	-53.66	369.73	9.01	-44.65
COCCN(CC(=O)[O-])C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001888209	0	48	0.0	-63.22	361.92	7.92	-55.30
COCCN(CC(=O)[O-])C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300001888230	0	51	0.0	-50.07	361.95	6.49	-43.58
COCCN(CC(=O)[O-])C(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300001888233	0	46	0.0	-47.92	355.26	8.44	-39.48
COCCN(CC(=O)[O-])C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300001888233	1	46	0.0	-42.20	358.42	8.49	-33.71
COCCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001888240	0	53	0.0	-54.34	405.56	11.05	-43.29
COCCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001888240	1	53	0.0	-53.37	405.86	10.34	-43.03
CCC[NH+](CCC)CCCC(=O)N(CCOC)CC(=O)[O-]	REAL300001888260	0	51	0.0	-55.40	378.48	8.73	-46.67
COCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300001888275	0	47	0.0	-86.93	360.68	8.69	-78.24
COCCN(CC(=O)[O-])C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001888280	0	50	0.0	-71.36	381.98	9.53	-61.83
CCN1CCC([NH+]2CCC(C(=O)N(CCOC)CC(=O)[O-])CC2)CC1	REAL300001888286	0	58	0.0	-56.64	416.96	7.22	-49.42
COCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300001888292	1	54	0.0	-89.75	411.59	8.50	-81.25
COCCN(CC(=O)[O-])C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001888302	1	51	0.0	-59.67	393.54	9.44	-50.23
COCCN(CC(=O)[O-])C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001888302	1	51	0.0	-59.75	393.60	9.06	-50.69
COCCN(CC(=O)[O-])C(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1	REAL300001888316	1	41	0.0	-76.80	336.61	6.06	-70.74
COCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001888319	0	50	0.0	-87.50	378.00	9.42	-78.08
COCCN(CC(=O)[O-])C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300001888329	1	43	0.0	-69.34	345.59	6.97	-62.37
COCCN(CC(=O)[O-])C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300001888330	0	46	0.0	-89.70	359.24	8.46	-81.24
COCCN(CC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001888333	1	48	0.0	-43.67	372.93	8.32	-35.35
COCCN(CC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001888333	1	48	0.0	-59.90	376.68	8.45	-51.45
COCCN(CC(=O)[O-])C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001888341	0	56	0.0	-42.22	415.06	10.74	-31.48
COCCN(CC(=O)[O-])C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300001888366	0	46	0.0	-47.52	365.12	8.99	-38.53
COCCN(CC(=O)[O-])C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300001888366	1	46	0.0	-47.21	365.12	8.99	-38.22
COCCOCC[N@H+](C)CCC(=O)N(CCOC)CC(=O)[O-]	REAL300001888367	0	50	0.0	-52.84	394.12	5.22	-47.62
COCCOCC[N@@H+](C)CCC(=O)N(CCOC)CC(=O)[O-]	REAL300001888367	1	50	0.0	-51.29	394.17	5.23	-46.06
COCCN(CC(=O)[O-])C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001888373	0	55	0.0	-59.28	420.29	8.73	-50.55
COCCN(CC(=O)[O-])C(=O)CCN1CC[NH+](C(C)C)CC1	REAL300001888400	0	51	0.0	-56.02	381.33	5.76	-50.26
COCCN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C(C)C)CC1	REAL300001888400	1	51	0.0	-50.18	377.65	5.55	-44.63
COCCN(CC(=O)[O-])C(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300001888401	0	54	0.0	-61.01	402.83	6.57	-54.44
COCCN(CC(=O)[O-])C(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300001888401	1	54	0.0	-55.18	399.15	6.36	-48.82
COCCN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300001888405	0	55	0.0	-53.65	420.19	8.60	-45.05
COCCN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001888407	0	52	0.0	-53.02	398.79	7.94	-45.08
COCCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300001888410	0	49	0.0	-54.47	371.54	7.94	-46.53
COCCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300001888410	1	49	0.0	-53.55	365.70	8.68	-44.87
COCCN(CC(=O)[O-])C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001888414	1	47	0.0	-41.55	358.94	8.85	-32.70
COCCN(CC(=O)[O-])C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300001888414	1	47	0.0	-39.92	361.64	8.83	-31.09
COCCN(CC(=O)[O-])C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001888431	0	50	0.0	-57.45	382.84	10.59	-46.86
COCCN(CC(=O)[O-])C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001888431	1	50	0.0	-56.36	383.27	10.60	-45.76
COCCN(CC(=O)[O-])C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300001888441	1	44	0.0	-65.83	347.43	6.66	-59.17
COCCN(CC(=O)[O-])C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300001888441	1	44	0.0	-68.12	347.01	6.67	-61.45
COCCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300001888448	0	50	0.0	-54.63	383.05	9.77	-44.86
COCCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300001888448	1	50	0.0	-55.78	380.49	9.82	-45.96
COCCN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300001888450	0	51	0.0	-52.15	396.51	7.35	-44.80
COCCN(CC(=O)[O-])C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300001888475	0	50	0.0	-51.62	362.43	8.55	-43.07
COCCN(CC(=O)[O-])C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300001888475	1	50	0.0	-48.93	360.49	8.12	-40.81
COCCN(CC(=O)[O-])C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300001888493	0	52	0.0	-72.56	399.10	7.11	-65.45
COCCN(CC(=O)[O-])C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300001888494	0	52	0.0	-72.48	398.16	6.93	-65.55
COCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300001888494	1	52	0.0	-88.31	394.83	6.92	-81.39
CC[NH+](CC)CCOC1=CC=C(C(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300001888495	0	53	0.0	-81.61	397.67	8.56	-73.05
COCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001888550	0	54	0.0	-89.47	410.00	6.78	-82.69
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CC[NH+]1CCN(CCC(=O)N(CCOC)CC(=O)[O-])CC1	REAL300001888589	0	48	0.0	-60.90	363.44	5.11	-55.79
CCN1CC[NH+](CCC(=O)N(CCOC)CC(=O)[O-])CC1	REAL300001888589	1	48	0.0	-49.50	364.59	5.26	-44.24
COCCN(CC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300001888633	1	48	0.0	-63.38	375.41	8.11	-55.27
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CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300001896410	0	59	0.0	-86.45	443.17	11.25	-75.20
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001896415	0	62	0.0	-76.27	460.97	11.96	-64.31
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1(C[NH+](C)C)CC1	REAL300001896420	0	52	0.0	-52.28	382.38	8.44	-43.84
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCCC[NH+](C)C	REAL300001896428	0	54	0.0	-59.86	408.86	9.19	-50.67
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1	REAL300001896449	1	53	0.0	-68.13	424.06	8.72	-59.41
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001896452	0	62	0.0	-87.75	461.31	12.01	-75.74
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300001896464	1	55	0.0	-79.73	426.85	9.70	-70.03
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300001896465	0	58	0.0	-90.69	442.55	11.05	-79.64
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=C(C)[NH+]=C1NC	REAL300001896470	1	51	0.0	-43.84	401.05	7.79	-36.05
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001896471	1	60	0.0	-76.27	444.09	10.59	-65.68
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001896471	1	60	0.0	-83.84	452.06	10.78	-73.06
CCC[N@H+](C)CC(=O)N(CCCOCC)CC(C)C(=O)[O-]	REAL300001896478	0	51	0.0	-47.22	383.35	8.46	-38.76
CCC[N@@H+](C)CC(=O)N(CCCOCC)CC(C)C(=O)[O-]	REAL300001896478	1	51	0.0	-48.31	385.54	8.45	-39.86
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[N@H+](C)C1CCC1	REAL300001896492	0	52	0.0	-46.68	391.63	8.98	-37.70
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[N@@H+](C)C1CCC1	REAL300001896492	1	52	0.0	-49.31	388.73	8.89	-40.42
CCOCCCN(CC(C)C(=O)[O-])C(=O)C(C)[NH+]1CCSCC1	REAL300001896513	1	53	0.0	-66.82	400.86	8.95	-57.87
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[N@H+](C)CC(C)(C)C	REAL300001896519	0	57	0.0	-47.11	416.10	9.59	-37.52
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[N@@H+](C)CC(C)(C)C	REAL300001896519	1	57	0.0	-49.69	410.59	9.35	-40.34
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300001896521	0	58	0.0	-55.17	442.03	11.34	-43.83
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300001896521	1	58	0.0	-52.21	445.46	11.49	-40.72
CCOCCCN(CC(C)C(=O)[O-])C(=O)CC[N@H+](C)CCOCCOC	REAL300001896522	0	62	0.0	-53.17	474.50	7.72	-45.45
CCOCCCN(CC(C)C(=O)[O-])C(=O)CC[N@@H+](C)CCOCCOC	REAL300001896522	1	62	0.0	-56.50	470.73	7.61	-48.89
CCOCCCN(CC(C)C(=O)[O-])C(=O)[C@H](CC)[NH+](C)C	REAL300001896525	0	51	0.0	-49.99	373.82	7.98	-42.01
CCOCCCN(CC(C)C(=O)[O-])C(=O)CC1(O)CCC[N@H+](C)C1	REAL300001896527	0	56	0.0	-52.93	415.04	7.38	-45.55
CCOCCCN(CC(C)C(=O)[O-])C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300001896527	1	56	0.0	-53.37	413.77	7.51	-45.86
CCCCCC[N@H+](C)CC(=O)N(CCCOCC)CC(C)C(=O)[O-]	REAL300001896538	0	60	0.0	-51.71	445.75	10.69	-41.02
CCCCCC[N@@H+](C)CC(=O)N(CCCOCC)CC(C)C(=O)[O-]	REAL300001896538	1	60	0.0	-49.04	450.04	10.80	-38.24
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300001896552	1	47	0.0	-83.95	371.54	10.18	-73.77
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[N@H+](C)C1CCSC1	REAL300001896563	0	53	0.0	-53.15	406.25	9.24	-43.91
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[N@@H+](C)C1CCSC1	REAL300001896563	1	53	0.0	-51.64	405.81	9.28	-42.36
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCN1CC[NH+](C(C)C)CC1	REAL300001896577	0	63	0.0	-54.29	461.66	8.26	-46.03
CCOCCCN(CC(C)C(=O)[O-])C(=O)CC[NH+]1CCN(C(C)C)CC1	REAL300001896577	1	63	0.0	-55.18	455.23	7.95	-47.23
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300001896578	0	66	0.0	-59.53	480.41	8.97	-50.56
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300001896578	1	66	0.0	-58.04	475.82	8.73	-49.31
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CCCC2CCC[N@@H+]21	REAL300001896579	0	56	0.0	-66.79	400.70	9.42	-57.37
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CCCC2CCC[N@H+]21	REAL300001896579	1	56	0.0	-52.00	399.41	9.64	-42.36
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300001896581	0	55	0.0	-69.48	422.63	8.03	-61.45
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300001896586	0	61	0.0	-74.93	450.59	10.49	-64.44
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300001896586	1	61	0.0	-70.10	449.21	10.35	-59.75
CCOCCCN(CC(C)C(=O)[O-])C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001896591	1	59	0.0	-47.05	438.32	11.19	-35.86
CCOCCCN(CC(C)C(=O)[O-])C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300001896591	1	59	0.0	-36.01	429.96	11.21	-24.80
CCOCCCN(CC(C)C(=O)[O-])C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001896606	0	62	0.0	-56.69	467.85	12.21	-44.48
CCOCCCN(CC(C)C(=O)[O-])C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001896606	1	62	0.0	-59.99	467.46	12.21	-47.78
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300001896618	0	55	0.0	-94.33	425.00	8.95	-85.38
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=NN1CC[NH+](C)C	REAL300001896619	0	55	0.0	-60.25	417.24	8.20	-52.05
CCOCCCN(CC(C)C(=O)[O-])C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300001896621	0	52	0.0	-56.40	378.54	7.96	-48.44
CCOCCCN(CC(C)C(=O)[O-])C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300001896621	1	52	0.0	-51.74	385.83	8.28	-43.46
CCOCCCN(CC(C)C(=O)[O-])C(=O)CC(C)N1C=C[NH+]=C1CC	REAL300001896622	1	56	0.0	-50.67	429.36	10.22	-40.45
CCOCCCN(CC(C)C(=O)[O-])C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC	REAL300001896625	0	55	0.0	-57.28	391.63	8.37	-48.91
CCOCCCN(CC(C)C(=O)[O-])C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC	REAL300001896625	1	55	0.0	-55.57	402.02	8.87	-46.70
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300001896627	1	56	0.0	-64.43	425.26	8.66	-55.77
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300001896627	1	56	0.0	-83.08	427.27	8.57	-74.51
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1C[N@H+](C)CC(C)O1	REAL300001896632	1	53	0.0	-55.35	396.95	8.15	-47.20
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1C[N@@H+](C)CC(C)O1	REAL300001896632	1	53	0.0	-82.58	390.42	7.48	-75.10
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[NH+]1CCCC1	REAL300001896638	0	49	0.0	-47.72	370.27	8.05	-39.67
CCOCCCN(CC(C)C(=O)[O-])C(=O)CN1C=C[NH+]=C1C	REAL300001896640	1	47	0.0	-50.62	371.88	8.48	-42.14
CCOCCCN(CC(C)C(=O)[O-])C(=O)C(C)C[NH+]1CCOCC1	REAL300001896642	0	56	0.0	-67.43	412.15	7.60	-59.83
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[NH+]1CCC(C)CC1	REAL300001896658	0	55	0.0	-50.17	406.06	9.43	-40.74
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1C[N@H+](CC)CCO1	REAL300001896669	1	53	0.0	-44.46	383.49	7.45	-37.01
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1C[N@@H+](CC)CCO1	REAL300001896669	1	53	0.0	-55.06	388.57	7.71	-47.35
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300001896699	0	62	0.0	-53.23	439.93	10.87	-42.36
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300001896699	1	62	0.0	-53.85	439.66	10.85	-43.00
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCC1CCC[N@@H+]1C	REAL300001896705	0	55	0.0	-59.23	400.55	8.82	-50.41
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCC1CCC[N@H+]1C	REAL300001896705	1	55	0.0	-51.42	409.90	9.43	-41.99
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CCC2CCCC[N@@H+]21	REAL300001896716	0	56	0.0	-45.63	409.63	9.72	-35.91
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CCC2CCCC[N@H+]21	REAL300001896716	1	56	0.0	-43.15	409.42	9.78	-33.37
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[NH+](CC)CC	REAL300001896735	0	51	0.0	-59.60	384.52	8.50	-51.10
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CC[NH+](C(C)C)CC1	REAL300001896737	0	58	0.0	-51.64	416.08	9.46	-42.18
CCOCCCN(CC(C)C(=O)[O-])C(=O)C12CC[NH+](CC1)C2	REAL300001896803	0	50	0.0	-76.49	364.99	7.14	-69.35
CCOCCCN(CC(C)C(=O)[O-])C(=O)C(CC)[NH+](C)C	REAL300001896806	0	51	0.0	-50.29	369.14	7.86	-42.43
CCOCCCN(CC(C)C(=O)[O-])C(=O)C12CC[N@H+](C1)CCC2	REAL300001896813	0	53	0.0	-59.16	371.18	7.86	-51.30
CCOCCCN(CC(C)C(=O)[O-])C(=O)C12CC[N@@H+](C1)CCC2	REAL300001896813	1	53	0.0	-78.55	373.37	7.69	-70.86
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[NH+]1C(C)CCC1C	REAL300001896852	0	55	0.0	-46.62	399.21	8.80	-37.82
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300001896853	0	55	0.0	-76.12	417.54	10.93	-65.19
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001896854	0	62	0.0	-54.57	452.45	12.43	-42.14
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001896854	1	62	0.0	-71.91	465.06	12.08	-59.83
C#CC[NH+]1CCC(C(=O)N(CCCOCC)CC(C)C(=O)[O-])CC1	REAL300001896906	0	54	0.0	-79.64	413.64	9.77	-69.87
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCN1CC[NH+](CC)CC1	REAL300001896908	0	60	0.0	-56.66	442.95	7.57	-49.09
CCOCCCN(CC(C)C(=O)[O-])C(=O)CC[NH+]1CCN(CC)CC1	REAL300001896908	1	60	0.0	-55.13	442.17	7.66	-47.47
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[N@H+](C)C(C)C	REAL300001896909	0	51	0.0	-45.01	378.72	8.18	-36.83
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[N@@H+](C)C(C)C	REAL300001896909	1	51	0.0	-46.11	379.93	8.21	-37.90
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCN1C=C[NH+]=C1C(C)C	REAL300001896914	1	56	0.0	-50.39	429.00	10.14	-40.25
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[N@H+](CC)C1CC1	REAL300001896921	0	52	0.0	-46.56	387.71	8.95	-37.61
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[N@@H+](CC)C1CC1	REAL300001896921	1	52	0.0	-49.01	389.73	8.94	-40.07
CCOCCCN(CC(C)C(=O)[O-])C(=O)C(C)[NH+]1CCCCCC1	REAL300001896947	0	58	0.0	-43.84	412.02	9.70	-34.14
CCOCCCN(CC(C)C(=O)[O-])C(=O)[C@@H]1CCC[N@@H+]1C	REAL300001896951	0	49	0.0	-49.53	356.16	7.45	-42.08
CCOCCCN(CC(C)C(=O)[O-])C(=O)[C@@H]1CCC[N@H+]1C	REAL300001896951	1	49	0.0	-50.38	365.94	7.81	-42.57
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[NH2+]C(C)(C)C	REAL300001897020	0	51	0.0	-49.91	381.57	6.63	-43.28
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=C(C[NH+](CC)CC)O1	REAL300001897022	0	58	0.0	-81.68	440.39	10.37	-71.31
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCCC[NH+]1CCCC1	REAL300001897023	0	58	0.0	-59.07	434.89	10.31	-48.76
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300001897025	1	61	0.0	-52.76	456.88	9.88	-42.88
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300001897026	1	55	0.0	-52.45	419.40	10.53	-41.92
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300001897026	1	55	0.0	-49.48	422.97	10.64	-38.84
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300001897051	1	50	0.0	-70.65	398.53	7.99	-62.66
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300001897073	1	51	0.0	-68.23	402.25	8.51	-59.72
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300001897077	0	62	0.0	-43.13	452.24	11.52	-31.61
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300001897077	1	62	0.0	-53.12	465.81	11.92	-41.20
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CCC[N@@H+]1C(C)C	REAL300001897090	0	55	0.0	-62.58	400.17	8.81	-53.77
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CCC[N@H+]1C(C)C	REAL300001897090	1	55	0.0	-43.68	389.03	8.84	-34.84
CCOCCCN(CC(C)C(=O)[O-])C(=O)COC1CC[NH+](C)CC1	REAL300001897107	0	56	0.0	-62.96	423.53	9.12	-53.84
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001897112	0	59	0.0	-48.59	445.48	10.77	-37.82
CCC[N@@H+]1CCCC(C(=O)N(CCCOCC)CC(C)C(=O)[O-])C1	REAL300001897259	0	58	0.0	-51.53	417.89	10.03	-41.50
CCC[N@H+]1CCCC(C(=O)N(CCCOCC)CC(C)C(=O)[O-])C1	REAL300001897259	1	58	0.0	-64.19	418.49	10.32	-53.87
CCOCCCN(CC(C)C(=O)[O-])C(=O)C[NH+]1CCC(CO)CC1	REAL300001897283	0	56	0.0	-52.76	416.90	6.12	-46.64
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CCC[N@@H+](C(C)C)C1	REAL300001897458	0	58	0.0	-48.85	411.39	9.75	-39.10
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1CCC[N@H+](C(C)C)C1	REAL300001897458	1	58	0.0	-70.12	421.38	9.70	-60.42
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300001897459	0	52	0.0	-60.30	395.75	8.34	-51.96
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300001897459	1	52	0.0	-56.53	388.28	8.77	-47.76
CCOCCCN(CC(C)C(=O)[O-])C(=O)CCC1=[NH+]C(C)=C(C)N1	REAL300001897482	1	53	0.0	-50.84	413.80	8.28	-42.56
CCOCCCN(CC(C)C(=O)[O-])C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300001897869	0	58	0.0	-76.27	435.94	11.74	-64.53
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CC1CC[NH+](CC(=O)N(CCC(=O)[O-])CC2CCCO2)CC1	REAL300001901088	0	50	0.0	-47.93	372.05	8.60	-39.33
CC[N@@H+]1CCOC(C(=O)N(CCC(=O)[O-])CC2CCCO2)C1	REAL300001901101	1	48	0.0	-50.71	359.98	7.48	-43.23
CC[N@H+]1CCOC(C(=O)N(CCC(=O)[O-])CC2CCCO2)C1	REAL300001901101	1	48	0.0	-53.20	348.82	7.11	-46.09
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CN1CC[NH+](CC2=CC=C(C(=O)N(CCC(=O)[O-])CC3CCCO3)C=C2)CC1	REAL300001901164	1	59	0.0	-63.26	435.82	9.04	-54.22
CC[NH+](CC)CCOC1=CC=C(C(=O)N(CCC(=O)[O-])CC2CCCO2)C=C1	REAL300001901165	0	60	0.0	-62.10	439.63	10.56	-51.54
CC(C)[NH+]1CCC(C(=O)N(CCC(=O)[O-])CC2CCCO2)CC1	REAL300001901173	0	53	0.0	-53.12	380.63	9.13	-43.99
O=C([O-])CCN(CC1CCCO1)C(=O)C12CC[N@H+](C1)CCC2	REAL300001901246	0	48	0.0	-55.50	338.15	7.14	-48.36
O=C([O-])CCN(CC1CCCO1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300001901246	1	48	0.0	-55.90	339.38	6.87	-49.03
CC1CCC(C)[NH+]1CC(=O)N(CCC(=O)[O-])CC1CCCO1	REAL300001901286	0	50	0.0	-47.24	356.74	7.73	-39.51
C[NH+](C)CC1=CC=CC(C(=O)N(CCC(=O)[O-])CC2CCCO2)=C1	REAL300001901287	0	50	0.0	-67.43	378.46	9.77	-57.66
O=C([O-])CCN(CC1CCCO1)C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001901288	0	57	0.0	-50.94	415.73	11.56	-39.38
O=C([O-])CCN(CC1CCCO1)C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001901288	1	57	0.0	-52.66	426.30	11.10	-41.56
C#CC[NH+]1CCC(C(=O)N(CCC(=O)[O-])CC2CCCO2)CC1	REAL300001901340	0	49	0.0	-56.23	374.64	9.33	-46.90
CC[NH+]1CCN(CCC(=O)N(CCC(=O)[O-])CC2CCCO2)CC1	REAL300001901342	0	55	0.0	-58.48	406.43	6.63	-51.85
CCN1CC[NH+](CCC(=O)N(CCC(=O)[O-])CC2CCCO2)CC1	REAL300001901342	1	55	0.0	-50.90	407.57	7.14	-43.76
CC(C)C1=[NH+]C=CN1CCC(=O)N(CCC(=O)[O-])CC1CCCO1	REAL300001901349	1	51	0.0	-49.29	398.61	9.40	-39.89
CC(C(=O)N(CCC(=O)[O-])CC1CCCO1)[NH+]1CCCCCC1	REAL300001901380	0	53	0.0	-67.00	375.09	8.37	-58.63
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N(CCC(=O)[O-])CC3CCCO3)=CC=C1N2	REAL300001901414	1	55	0.0	-55.26	418.51	9.59	-45.67
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N(CCC(=O)[O-])CC3CCCO3)=CC=C1N2	REAL300001901414	1	55	0.0	-73.68	418.54	9.56	-64.12
CC[NH+](CC)CC1=CC=C(C(=O)N(CCC(=O)[O-])CC2CCCO2)O1	REAL300001901455	0	53	0.0	-52.32	398.56	8.97	-43.35
O=C([O-])CCN(CC1CCCO1)C(=O)CCCC[NH+]1CCCC1	REAL300001901456	0	53	0.0	-57.27	400.29	9.80	-47.47
CC1=CC=C(N2CCC(C(=O)N(CCC(=O)[O-])CC3CCCO3)CC2)[NH+]=C1	REAL300001901458	1	56	0.0	-79.35	420.24	9.05	-70.30
C[N@H+](CC(=O)N(CCC(=O)[O-])CC1CCCO1)CC1=CC=CC=C1	REAL300001901459	1	50	0.0	-50.40	385.62	9.67	-40.73
C[N@@H+](CC(=O)N(CCC(=O)[O-])CC1CCCO1)CC1=CC=CC=C1	REAL300001901459	1	50	0.0	-50.50	385.68	9.68	-40.82
O=C([O-])CCN(CC1CCCO1)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300001901479	1	45	0.0	-82.79	359.49	7.00	-75.79
C[NH+](C)CC1=CC(C(=O)N(CCC(=O)[O-])CC2CCCO2)=NO1	REAL300001901502	1	46	0.0	-69.27	363.52	7.56	-61.71
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(CCC(=O)[O-])CC1CCCO1	REAL300001901506	0	57	0.0	-56.45	430.14	11.41	-45.04
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(CCC(=O)[O-])CC1CCCO1	REAL300001901506	1	57	0.0	-55.62	429.58	11.68	-43.94
CC(C)[N@@H+]1CCCC1C(=O)N(CCC(=O)[O-])CC1CCCO1	REAL300001901522	0	50	0.0	-45.80	355.99	8.13	-37.67
CC(C)[N@H+]1CCCC1C(=O)N(CCC(=O)[O-])CC1CCCO1	REAL300001901522	1	50	0.0	-46.63	368.41	8.03	-38.60
C[NH+](C)CCOC1=CC=C(C=CC(=O)N(CCC(=O)[O-])CC2CCCO2)C=C1	REAL300001901529	0	58	0.0	-67.37	452.47	10.64	-56.73
C[NH+]1CCC(OCC(=O)N(CCC(=O)[O-])CC2CCCO2)CC1	REAL300001901543	0	51	0.0	-62.57	388.91	8.53	-54.04
O=C([O-])CCN(CC1CCCO1)C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001901548	0	54	0.0	-49.62	410.45	9.91	-39.71
CCC[N@@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2CCCO2)C1	REAL300001901694	0	53	0.0	-52.25	385.57	9.31	-42.94
CCC[N@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2CCCO2)C1	REAL300001901694	1	53	0.0	-48.09	381.27	9.18	-38.91
O=C([O-])CCN(CC1CCCO1)C(=O)C[NH+]1CCC(CO)CC1	REAL300001901722	0	51	0.0	-50.25	382.38	5.25	-45.00
CC(C)[N@@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2CCCO2)C1	REAL300001901905	0	53	0.0	-50.02	390.82	8.67	-41.35
CC(C)[N@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2CCCO2)C1	REAL300001901905	1	53	0.0	-66.12	378.93	8.89	-57.23
C[N@@H+]1CC(C(=O)N(CCC(=O)[O-])CC2CCCO2)C(C(F)(F)F)C1	REAL300001901906	0	47	0.0	-60.84	373.66	7.85	-52.99
C[N@H+]1CC(C(=O)N(CCC(=O)[O-])CC2CCCO2)C(C(F)(F)F)C1	REAL300001901906	1	47	0.0	-86.75	359.24	7.69	-79.06
CC1=C(C)[NH+]=C(CCC(=O)N(CCC(=O)[O-])CC2CCCO2)N1	REAL300001901928	1	48	0.0	-49.36	379.20	7.41	-41.95
C[NH+](C)CCC1=CC=CC(C(=O)N(CCC(=O)[O-])CC2CCCO2)=C1	REAL300001902320	0	53	0.0	-70.72	400.94	10.62	-60.10
C[NH+](C)CCOC1=CC=C(C(=O)N(CCC(=O)[O-])CC2CCCO2)C=C1	REAL300001902328	0	54	0.0	-63.87	407.54	9.52	-54.35
O=C([O-])CCN(CC1CCCO1)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001902420	0	60	0.0	-61.79	448.68	12.07	-49.72
CC1C[N@H+](CC2=CC=C(C(=O)N(CCC(=O)[O-])CC3CCCO3)C=C2)CCO1	REAL300001902422	1	58	0.0	-62.38	430.90	9.35	-53.03
CC1C[N@@H+](CC2=CC=C(C(=O)N(CCC(=O)[O-])CC3CCCO3)C=C2)CCO1	REAL300001902422	1	58	0.0	-63.89	429.44	9.30	-54.59
C[NH+](C)[C@H]1CC[C@@H](C(=O)N(CCC(=O)[O-])CC2CCCO2)CC1	REAL300001902453	0	53	0.0	-55.03	374.79	8.48	-46.55
CC1=[NH+]C=C2C=CC(C(=O)N(CCC(=O)[O-])CC3CCCO3)=CN21	REAL300001902457	0	45	0.0	-53.53	355.07	8.91	-44.62
CC(C)C[N@@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2CCCO2)C1	REAL300001902507	0	56	0.0	-75.46	407.42	9.66	-65.80
CC(C)C[N@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2CCCO2)C1	REAL300001902507	1	56	0.0	-47.96	398.78	9.86	-38.10
CC[N@@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2CCCO2)C1	REAL300001902508	0	50	0.0	-61.78	355.99	8.46	-53.32
CC[N@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2CCCO2)C1	REAL300001902508	1	50	0.0	-49.81	364.85	8.58	-41.23
C[NH+](C)CC1=CC=C(C(=O)N(CCC(=O)[O-])CC2CCCO2)O1	REAL300001902514	1	47	0.0	-52.82	370.24	7.90	-44.92
O=C([O-])CCN(CC1CCCO1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300001902521	0	49	0.0	-43.35	362.64	8.34	-35.01
O=C([O-])CCN(CC1CCCO1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300001902521	1	49	0.0	-40.66	352.03	8.60	-32.06
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2CC[NH+](C3CC3)CC2)C=C1	REAL300001903834	0	59	0.0	-63.30	443.89	12.52	-50.78
CC1=[NH+]C=C2CCC(C(=O)NC(CC(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)CN21	REAL300001903856	1	57	0.0	-66.27	430.89	11.40	-54.87
C[NH+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001903905	0	48	0.0	-68.69	363.39	8.65	-60.04
CC(C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)N1CC[NH+](C)CC1	REAL300001903906	1	60	0.0	-65.08	443.54	9.22	-55.86
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001903932	0	55	0.0	-63.42	405.31	10.26	-53.16
C[N@H+]1CCCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001903932	1	55	0.0	-49.97	402.67	10.89	-39.08
C[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300001903970	0	55	0.0	-63.39	415.28	11.02	-52.37
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1	REAL300001903997	0	50	0.0	-73.38	393.46	12.14	-61.24
C[NH+](C)CC1(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CCCCC1	REAL300001904018	0	64	0.0	-42.54	436.03	12.99	-29.55
C[N@H+](CCC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCCCC1	REAL300001904021	0	64	0.0	-72.84	461.76	12.21	-60.63
C[N@@H+](CCC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCCCC1	REAL300001904021	1	64	0.0	-72.73	461.81	12.23	-60.50
C[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904033	0	52	0.0	-66.58	382.92	9.18	-57.40
C[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904033	1	52	0.0	-66.64	382.91	9.16	-57.48
C[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300001904072	0	55	0.0	-63.39	415.28	11.02	-52.37
CC1=[NH+]C=CN1CCCC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904105	1	56	0.0	-70.65	434.41	11.57	-59.08
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)CCCC[NH+]2CCOCC2)C=C1	REAL300001904106	1	62	0.0	-78.13	461.66	10.23	-67.90
C[C@@H](C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[NH+](C)C	REAL300001904110	0	51	0.0	-51.44	387.49	9.95	-41.49
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904111	0	52	0.0	-67.08	383.22	9.18	-57.90
C[N@H+]1CCC[C@@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904111	1	52	0.0	-64.02	388.88	9.58	-54.44
C[C@H](C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[NH+](C)C	REAL300001904114	0	51	0.0	-66.48	381.61	9.06	-57.42
CCC(C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[NH+](CC)CC	REAL300001904167	0	60	0.0	-59.81	427.12	11.03	-48.78
CC(C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001904169	0	61	0.0	-54.19	465.20	13.40	-40.79
CC(C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001904169	1	61	0.0	-53.87	464.68	13.39	-40.48
C[NH+](C)CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=N1	REAL300001904182	0	57	0.0	-80.88	437.34	10.67	-70.21
CCC[NH+](CCC)CCCC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904184	0	66	0.0	-73.76	481.58	12.57	-61.19
C[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001904185	1	53	0.0	-72.54	408.03	9.76	-62.78
C[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001904185	1	53	0.0	-42.39	400.88	9.73	-32.66
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904193	1	56	0.0	-63.75	429.09	11.41	-52.34
C[NH+](C)CC1(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300001904204	0	55	0.0	-47.34	410.12	11.45	-35.89
C[NH+](C)CCCCC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904208	0	57	0.0	-76.59	428.75	10.79	-65.80
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1	REAL300001904228	1	58	0.0	-74.66	453.77	11.42	-63.24
C[NH+](C)CCC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300001904229	0	61	0.0	-77.04	470.92	13.79	-63.25
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904233	1	54	0.0	-51.59	419.55	10.53	-41.06
CCC[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904237	0	54	0.0	-51.96	409.49	10.88	-41.08
CCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904237	1	54	0.0	-52.58	409.64	10.77	-41.81
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCC1	REAL300001904249	0	55	0.0	-49.87	416.51	11.34	-38.53
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCC1	REAL300001904249	1	55	0.0	-65.45	409.68	10.66	-54.79
CC(C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[NH+]1CCSCC1	REAL300001904263	1	56	0.0	-66.97	422.25	10.65	-56.32
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)CC(C)(C)C	REAL300001904265	0	60	0.0	-53.50	438.06	11.82	-41.68
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)CC(C)(C)C	REAL300001904265	1	60	0.0	-51.85	440.66	11.92	-39.93
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904267	0	61	0.0	-55.01	469.40	13.89	-41.12
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904267	1	61	0.0	-55.29	469.55	13.79	-41.50
CC[C@@H](C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[NH+](C)C	REAL300001904269	0	54	0.0	-50.47	400.44	10.83	-39.64
C[N@@H+]1CCCC(O)(CC(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001904271	0	59	0.0	-62.39	437.80	9.74	-52.65
C[N@H+]1CCCC(O)(CC(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001904271	1	59	0.0	-60.89	427.88	9.78	-51.11
CCCCCC[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904282	0	63	0.0	-68.87	467.17	12.43	-56.44
CCCCCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904282	1	63	0.0	-53.45	474.14	13.12	-40.33
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C1	REAL300001904296	1	50	0.0	-80.36	393.73	12.15	-68.21
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCSC1	REAL300001904304	0	56	0.0	-54.98	429.76	11.61	-43.37
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCSC1	REAL300001904304	1	56	0.0	-72.91	422.78	10.89	-62.02
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2CCCC3CCC[N@@H+]32)C=C1	REAL300001904318	0	59	0.0	-63.95	419.32	11.18	-52.77
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2CCCC3CCC[N@H+]32)C=C1	REAL300001904318	1	59	0.0	-60.46	428.37	11.46	-49.00
C[NH+](C)CCN1C=C(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=N1	REAL300001904319	0	58	0.0	-81.86	447.72	10.14	-71.72
C[NH+](C)CCN1C=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300001904345	0	58	0.0	-80.91	455.05	10.82	-70.09
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904346	0	58	0.0	-60.91	443.35	10.10	-50.81
C[C@@H]1[C@H](C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC[N@@H+]1C	REAL300001904348	0	55	0.0	-73.07	400.94	9.90	-63.17
C[C@@H]1[C@H](C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC[N@H+]1C	REAL300001904348	1	55	0.0	-74.43	404.73	9.84	-64.59
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904349	1	59	0.0	-66.13	449.29	11.84	-54.29
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC[N@@H+]1C	REAL300001904352	0	58	0.0	-60.84	426.98	11.06	-49.78
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC[N@H+]1C	REAL300001904352	1	58	0.0	-62.23	431.16	11.67	-50.56
CC1C[N@H+](C)CC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)O1	REAL300001904358	1	56	0.0	-71.12	421.93	10.52	-60.60
CC1C[N@@H+](C)CC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)O1	REAL300001904358	1	56	0.0	-84.70	414.26	9.38	-75.32
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C[NH+]2CCCC2)C=C1	REAL300001904363	0	52	0.0	-66.59	387.23	9.66	-56.93
CC1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904365	1	50	0.0	-50.98	399.70	11.08	-39.90
CC(C[NH+]1CCOCC1)C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904367	0	59	0.0	-72.37	434.45	9.34	-63.03
CC1CC[NH+](CC(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300001904386	0	58	0.0	-51.66	433.31	11.95	-39.71
CC[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001904397	1	56	0.0	-81.16	418.32	9.77	-71.39
CC[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001904397	1	56	0.0	-80.88	418.22	9.75	-71.13
C[N@@H+]1CCCC1CCC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904426	0	58	0.0	-75.77	430.77	11.14	-64.63
C[N@H+]1CCCC1CCC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904426	1	58	0.0	-61.18	431.75	11.45	-49.73
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2CCC3CCCC[N@@H+]32)C=C1	REAL300001904434	0	59	0.0	-62.57	431.11	11.57	-51.00
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2CCC3CCCC[N@H+]32)C=C1	REAL300001904434	1	59	0.0	-48.02	431.07	11.84	-36.18
CC[NH+](CC)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904450	0	54	0.0	-65.75	398.61	9.96	-55.79
CC(C)[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300001904452	0	61	0.0	-65.54	445.85	11.93	-53.61
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C23CC[NH+](CC2)C3)C=C1	REAL300001904512	0	53	0.0	-63.01	402.05	9.86	-53.15
CCC(C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[NH+](C)C	REAL300001904515	0	54	0.0	-63.08	391.69	9.72	-53.36
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C23CC[N@H+](C2)CCC3)C=C1	REAL300001904522	0	56	0.0	-73.26	404.62	9.84	-63.42
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C23CC[N@@H+](C2)CCC3)C=C1	REAL300001904522	1	56	0.0	-70.26	412.07	10.51	-59.75
CC1CCC(C)[NH+]1CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904550	0	58	0.0	-50.13	427.13	11.31	-38.82
C[NH+](C)CC1=CC=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300001904551	0	58	0.0	-76.97	441.51	12.12	-64.85
C#CC[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300001904588	0	57	0.0	-69.95	440.38	12.19	-57.76
CC[NH+]1CCN(CCC(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300001904590	0	63	0.0	-66.05	467.80	9.83	-56.22
CCN1CC[NH+](CCC(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300001904590	1	63	0.0	-72.35	462.00	9.30	-63.05
CC(C)[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904591	0	54	0.0	-49.53	404.68	10.66	-38.87
CC(C)[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904591	1	54	0.0	-50.94	404.83	10.55	-40.39
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904595	1	59	0.0	-54.64	455.85	12.50	-42.14
CC[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CC1	REAL300001904600	0	55	0.0	-49.61	419.03	11.38	-38.23
CC[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CC1	REAL300001904600	1	55	0.0	-64.85	409.29	10.58	-54.27
CC(C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)[NH+]1CCCCCC1	REAL300001904615	0	61	0.0	-63.20	433.05	11.09	-52.11
C[N@@H+]1CCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904618	0	52	0.0	-64.72	389.40	9.67	-55.05
C[N@H+]1CCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904618	1	52	0.0	-56.93	390.20	9.95	-46.98
CC(C)(C)[NH2+]CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904664	0	54	0.0	-65.96	402.34	8.37	-57.59
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)CCCC[NH+]2CCCC2)C=C1	REAL300001904665	0	61	0.0	-74.86	454.67	11.94	-62.92
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)CC1=CC=CC=C1	REAL300001904667	1	58	0.0	-54.81	447.06	12.95	-41.86
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)CC1=CC=CC=C1	REAL300001904667	1	58	0.0	-54.89	446.92	13.05	-41.84
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C=C1	REAL300001904689	1	53	0.0	-80.17	422.66	10.07	-70.10
C[NH+](C)CC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=NO1	REAL300001904700	1	54	0.0	-76.66	428.47	10.28	-66.38
CC(C)[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904711	0	58	0.0	-50.43	429.20	11.48	-38.95
CC(C)[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300001904711	1	58	0.0	-51.51	429.45	11.46	-40.05
C[NH+]1CCC(OCC(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300001904725	0	59	0.0	-81.24	443.39	10.76	-70.48
CCC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001904826	0	61	0.0	-70.41	446.81	11.65	-58.76
CCC[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001904826	1	61	0.0	-62.40	440.57	11.85	-50.55
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C[NH+]2CCC(CO)CC2)C=C1	REAL300001904842	0	59	0.0	-52.43	444.14	8.64	-43.79
CC(C)[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001904967	0	61	0.0	-61.78	436.23	11.63	-50.15
CC(C)[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001904967	1	61	0.0	-68.95	442.42	11.42	-57.53
CC1=C(C)[NH+]=C(CCC(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)N1	REAL300001904984	1	56	0.0	-66.47	433.61	9.93	-56.54
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300001905260	0	61	0.0	-72.33	470.92	13.79	-58.54
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001905351	0	55	0.0	-65.86	419.98	11.07	-54.79
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300001905355	0	61	0.0	-51.92	442.45	11.99	-39.93
CC1=[NH+]C=C2C=CC(C(=O)NC(CC(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)=CN21	REAL300001905358	0	53	0.0	-69.67	414.95	11.91	-57.76
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001905397	0	64	0.0	-69.36	464.29	12.33	-57.03
CC(C)C[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001905397	1	64	0.0	-63.01	458.06	12.53	-50.48
CC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001905398	0	58	0.0	-61.81	419.49	11.12	-50.69
CC[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001905398	1	58	0.0	-70.08	425.83	10.91	-59.17
C[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001905403	0	55	0.0	-71.79	407.71	10.24	-61.55
C[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300001905403	1	55	0.0	-72.03	407.81	10.28	-61.75
C[NH+](C)CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)O1	REAL300001905405	1	55	0.0	-73.77	434.94	11.13	-62.64
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300001905413	0	57	0.0	-59.14	422.44	11.78	-47.36
CC(C)(C)C1=CC=C(C(CC(=O)[O-])NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300001905413	1	57	0.0	-71.52	416.49	11.60	-59.92
O=C([O-])CC1CSCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001906488	0	51	0.0	-78.38	380.38	12.08	-66.30
O=C([O-])CC1CSCCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300001907806	0	45	0.0	-71.32	329.73	9.83	-61.49
CC1=[NH+]C=C2CCC(C(=O)N3CCSCC3CC(=O)[O-])CN12	REAL300001907833	1	43	0.0	-66.02	329.90	9.62	-56.40
CC1=NC(C[NH+]2CCC(C(=O)N3CCSCC3CC(=O)[O-])CC2)=CS1	REAL300001907893	1	50	0.0	-75.68	387.43	9.67	-66.01
CC(C(=O)N1CCSCC1CC(=O)[O-])N1CC[NH+](C)CC1	REAL300001907894	1	46	0.0	-63.46	330.80	6.36	-57.10
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300001907964	0	54	0.0	-81.55	417.29	11.87	-69.68
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300001907969	0	54	0.0	-79.36	413.04	13.78	-65.58
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300001907969	1	54	0.0	-76.77	414.49	13.78	-62.99
O=C([O-])CC1CSCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300001908021	0	36	0.0	-71.13	289.54	10.19	-60.94
C[NH+](C)CC1(C(=O)N2CCSCC2CC(=O)[O-])CCCCC1	REAL300001908047	0	50	0.0	-54.37	328.28	9.19	-45.18
C[N@H+](CCC(=O)N1CCSCC1CC(=O)[O-])C1CCCCC1	REAL300001908050	0	50	0.0	-68.96	361.67	10.69	-58.27
C[N@@H+](CCC(=O)N1CCSCC1CC(=O)[O-])C1CCCCC1	REAL300001908050	1	50	0.0	-68.14	361.68	10.72	-57.42
O=C([O-])CC1CSCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300001908113	0	44	0.0	-88.77	349.03	9.12	-79.65
O=C([O-])CC1CSCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300001908129	0	52	0.0	-79.06	371.96	8.97	-70.09
CC1=[NH+]C=CN1CCCC(=O)N1CCSCC1CC(=O)[O-]	REAL300001908157	1	42	0.0	-67.18	334.23	10.02	-57.16
O=C([O-])CC1CSCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300001908158	1	48	0.0	-76.10	361.53	8.71	-67.39
CC[N@H+](CC1=CC=C(C(=O)N2CCSCC2CC(=O)[O-])C=C1)C(C)C	REAL300001908159	0	53	0.0	-80.68	387.54	11.67	-69.01
CC[N@@H+](CC1=CC=C(C(=O)N2CCSCC2CC(=O)[O-])C=C1)C(C)C	REAL300001908159	1	53	0.0	-80.50	378.94	11.30	-69.20
O=C([O-])CC1CSCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001908177	0	48	0.0	-66.67	362.44	11.28	-55.39
O=C([O-])CC1CSCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001908177	1	48	0.0	-64.23	361.42	11.08	-53.15
O=C([O-])CC1CSCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001908178	0	49	0.0	-77.35	364.15	10.62	-66.73
O=C([O-])CC1CSCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300001908206	0	52	0.0	-65.52	359.89	8.54	-56.98
CCC(C(=O)N1CCSCC1CC(=O)[O-])[NH+](CC)CC	REAL300001908210	0	46	0.0	-54.73	324.60	9.00	-45.73
CC(C(=O)N1CCSCC1CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300001908212	0	47	0.0	-60.57	352.37	10.83	-49.74
CC(C(=O)N1CCSCC1CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300001908212	1	47	0.0	-57.99	352.44	10.79	-47.20
O=C([O-])CC1CSCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001908220	0	54	0.0	-75.57	405.49	12.98	-62.59
O=C([O-])CC1CSCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001908220	1	54	0.0	-69.98	403.44	12.92	-57.06
C[NH+](C)CC1=CC=C(C(=O)N2CCSCC2CC(=O)[O-])C=N1	REAL300001908234	0	43	0.0	-82.02	333.63	8.62	-73.40
CCC[NH+](CCC)CCCC(=O)N1CCSCC1CC(=O)[O-]	REAL300001908241	0	52	0.0	-70.63	381.45	11.04	-59.59
CC(C)C1=[NH+]C=CN1CC(=O)N1CCSCC1CC(=O)[O-]	REAL300001908249	1	42	0.0	-54.23	328.92	9.58	-44.65
O=C([O-])CC1CSCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300001908263	0	48	0.0	-83.67	364.51	11.21	-72.46
O=C([O-])CC1CSCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001908268	0	51	0.0	-73.62	379.32	12.03	-61.59
CCN1CCC([NH+]2CCC(C(=O)N3CCSCC3CC(=O)[O-])CC2)CC1	REAL300001908273	0	59	0.0	-76.37	414.17	9.80	-66.57
CC1C[NH+](CC2=CC=C(C(=O)N3CCSCC3CC(=O)[O-])C=C2)CC(C)O1	REAL300001908279	1	55	0.0	-86.36	414.57	10.94	-75.42
O=C([O-])CC1CSCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001908290	1	52	0.0	-83.16	390.84	11.22	-71.94
O=C([O-])CC1CSCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001908290	1	52	0.0	-79.27	390.77	11.08	-68.19
CC1=C(C(=O)N2CCSCC2CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300001908306	1	42	0.0	-76.93	333.57	8.39	-68.54
O=C([O-])CC1CSCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001908309	0	51	0.0	-83.67	381.26	11.92	-71.75
O=C([O-])CC1CSCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300001908320	1	44	0.0	-75.47	343.47	9.26	-66.21
C[NH+](C)CCC1=CC=C(C(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300001908321	0	47	0.0	-91.85	359.88	11.03	-80.82
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCSCC1CC(=O)[O-]	REAL300001908326	1	40	0.0	-55.31	310.28	7.47	-47.84
O=C([O-])CC1CSCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001908327	1	49	0.0	-73.23	373.91	10.43	-62.80
O=C([O-])CC1CSCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001908327	1	49	0.0	-57.46	363.44	10.20	-47.26
CC(C(=O)N1CCSCC1CC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001908337	0	57	0.0	-62.58	418.69	13.36	-49.22
CC(C(=O)N1CCSCC1CC(=O)[O-])[NH+]1CCSCC1	REAL300001908367	1	42	0.0	-61.67	313.70	8.60	-53.07
C[N@H+](CC(=O)N1CCSCC1CC(=O)[O-])CC(C)(C)C	REAL300001908373	0	46	0.0	-59.50	330.86	9.45	-50.05
C[N@@H+](CC(=O)N1CCSCC1CC(=O)[O-])CC(C)(C)C	REAL300001908373	1	46	0.0	-54.83	332.77	9.37	-45.46
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCSCC1CC(=O)[O-]	REAL300001908375	0	47	0.0	-57.70	362.31	11.24	-46.46
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCSCC1CC(=O)[O-]	REAL300001908375	1	47	0.0	-57.89	362.31	11.23	-46.66
COCCOCC[N@H+](C)CCC(=O)N1CCSCC1CC(=O)[O-]	REAL300001908376	0	51	0.0	-64.65	391.37	7.56	-57.09
COCCOCC[N@@H+](C)CCC(=O)N1CCSCC1CC(=O)[O-]	REAL300001908376	1	51	0.0	-67.31	391.35	7.59	-59.72
C[N@@H+]1CCCC(O)(CC(=O)N2CCSCC2CC(=O)[O-])C1	REAL300001908379	0	45	0.0	-62.01	323.63	6.58	-55.43
C[N@H+]1CCCC(O)(CC(=O)N2CCSCC2CC(=O)[O-])C1	REAL300001908379	1	45	0.0	-68.67	321.01	6.77	-61.90
O=C([O-])CC1CSCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001908386	0	56	0.0	-73.87	417.56	11.25	-62.62
CCCCCC[N@H+](C)CC(=O)N1CCSCC1CC(=O)[O-]	REAL300001908388	0	49	0.0	-56.56	366.94	10.55	-46.01
CCCCCC[N@@H+](C)CC(=O)N1CCSCC1CC(=O)[O-]	REAL300001908388	1	49	0.0	-56.72	366.90	10.55	-46.17
O=C([O-])CC1CSCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300001908400	1	36	0.0	-81.79	288.78	10.10	-71.69
C[N@H+](CC(=O)N1CCSCC1CC(=O)[O-])C1CCSC1	REAL300001908416	0	42	0.0	-61.64	322.76	9.17	-52.47
C[N@@H+](CC(=O)N1CCSCC1CC(=O)[O-])C1CCSC1	REAL300001908416	1	42	0.0	-59.47	322.49	9.04	-50.43
CC(C)[NH+]1CCN(CCC(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300001908429	0	52	0.0	-72.36	378.52	8.13	-64.23
CC(C)N1CC[NH+](CCC(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300001908429	1	52	0.0	-67.24	375.11	8.09	-59.15
CC(C)[NH+]1CCN(CCCC(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300001908430	0	55	0.0	-72.99	400.11	9.09	-63.90
CC(C)N1CC[NH+](CCCC(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300001908430	1	55	0.0	-69.98	396.61	8.89	-61.09
O=C([O-])CC1CSCCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300001908431	0	45	0.0	-55.32	309.66	8.49	-46.83
O=C([O-])CC1CSCCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300001908431	1	45	0.0	-57.40	313.32	8.84	-48.56
C[NH+](C)CCN1C=C(C(=O)N2CCSCC2CC(=O)[O-])C=N1	REAL300001908433	0	44	0.0	-80.08	342.03	8.26	-71.82
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCSCC3CC(=O)[O-])CC2)=C1	REAL300001908436	0	56	0.0	-70.84	417.47	11.12	-59.72
O=C([O-])CC1CSCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001908438	0	53	0.0	-70.86	396.06	10.46	-60.40
O=C([O-])CC1CSCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300001908440	0	50	0.0	-66.07	366.52	10.25	-55.82
O=C([O-])CC1CSCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300001908440	1	50	0.0	-61.71	367.58	10.17	-51.54
CC(C(=O)N1CCSCC1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300001908445	1	48	0.0	-62.23	354.21	11.12	-51.11
CC(C(=O)N1CCSCC1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300001908445	1	48	0.0	-57.81	354.69	11.15	-46.66
O=C([O-])CC1CSCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001908468	0	51	0.0	-74.63	386.15	12.22	-62.41
O=C([O-])CC1CSCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001908468	1	51	0.0	-71.32	388.12	12.13	-59.19
C[NH+](C)CCN1C=CC(C(=O)N2CCSCC2CC(=O)[O-])=N1	REAL300001908481	0	44	0.0	-93.24	345.02	8.94	-84.30
C[NH+](C)CCN1N=CC=C1C(=O)N1CCSCC1CC(=O)[O-]	REAL300001908482	0	44	0.0	-62.72	339.71	7.94	-54.78
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCSCC1CC(=O)[O-]	REAL300001908483	1	45	0.0	-60.02	349.17	10.06	-49.96
CC[C@@H]1[C@@H](C(=O)N2CCSCC2CC(=O)[O-])CC[N@@H+]1C	REAL300001908486	0	44	0.0	-70.13	312.59	8.23	-61.90
CC[C@@H]1[C@@H](C(=O)N2CCSCC2CC(=O)[O-])CC[N@H+]1C	REAL300001908486	1	44	0.0	-72.95	319.37	8.74	-64.21
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCSCC2CC(=O)[O-])=NN1	REAL300001908489	1	45	0.0	-82.19	346.38	8.49	-73.70
C[N@H+]1CCCC1C1=CC(C(=O)N2CCSCC2CC(=O)[O-])=NN1	REAL300001908489	1	45	0.0	-78.80	346.33	8.25	-70.55
CC1C[N@H+](C)CC(C(=O)N2CCSCC2CC(=O)[O-])O1	REAL300001908494	1	42	0.0	-85.55	308.29	7.50	-78.05
CC1C[N@@H+](C)CC(C(=O)N2CCSCC2CC(=O)[O-])O1	REAL300001908494	1	42	0.0	-87.56	307.74	7.08	-80.48
O=C([O-])CC1CSCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300001908498	0	51	0.0	-66.73	377.99	12.08	-54.65
O=C([O-])CC1CSCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300001908498	1	51	0.0	-54.70	379.06	12.00	-42.70
CC(C[NH+]1CCOCC1)C(=O)N1CCSCC1CC(=O)[O-]	REAL300001908503	1	45	0.0	-66.88	328.53	7.50	-59.38
O=C([O-])CC1CSCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300001908504	0	52	0.0	-70.23	393.81	9.87	-60.36
CC1CC[NH+](CC(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300001908512	0	44	0.0	-56.28	325.78	9.26	-47.02
CC[N@@H+]1CCOC(C(=O)N2CCSCC2CC(=O)[O-])C1	REAL300001908524	1	42	0.0	-80.32	312.34	7.29	-73.03
CC[N@H+]1CCOC(C(=O)N2CCSCC2CC(=O)[O-])C1	REAL300001908524	1	42	0.0	-74.76	314.54	7.48	-67.28
O=C([O-])CC1CSCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300001908552	0	51	0.0	-60.41	368.11	10.76	-49.65
O=C([O-])CC1CSCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300001908552	1	51	0.0	-70.99	367.16	10.88	-60.11
C[N@@H+]1CCCC1CCC(=O)N1CCSCC1CC(=O)[O-]	REAL300001908558	0	44	0.0	-69.54	324.72	9.10	-60.44
C[N@H+]1CCCC1CCC(=O)N1CCSCC1CC(=O)[O-]	REAL300001908558	1	44	0.0	-67.40	325.08	9.12	-58.28
O=C([O-])CC1CSCCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300001908569	0	45	0.0	-63.37	323.70	9.35	-54.02
O=C([O-])CC1CSCCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300001908569	1	45	0.0	-57.16	325.15	9.74	-47.42
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCSCC3CC(=O)[O-])=C2)CC1	REAL300001908583	0	53	0.0	-84.13	394.95	9.61	-74.52
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCSCC3CC(=O)[O-])C=C2)CC1	REAL300001908584	0	53	0.0	-85.21	394.97	9.62	-75.59
CN1CC[NH+](CC2=CC=C(C(=O)N3CCSCC3CC(=O)[O-])C=C2)CC1	REAL300001908584	1	53	0.0	-84.57	397.79	9.36	-75.21
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300001908585	0	54	0.0	-82.21	404.56	11.20	-71.01
CC(C)[NH+]1CCC(C(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300001908592	0	47	0.0	-67.72	334.58	9.35	-58.37
O=C([O-])CC1CSCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001908687	0	55	0.0	-86.28	412.94	9.22	-77.06
CC1CCC(C)[NH+]1CC(=O)N1CCSCC1CC(=O)[O-]	REAL300001908692	0	44	0.0	-57.04	318.28	8.77	-48.27
C[NH+](C)CC1=CC=CC(C(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300001908693	0	44	0.0	-75.07	337.85	10.18	-64.89
O=C([O-])CC1CSCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001908694	0	51	0.0	-56.20	372.64	11.96	-44.24
O=C([O-])CC1CSCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001908694	1	51	0.0	-65.72	382.23	11.90	-53.82
C#CC[NH+]1CCC(C(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300001908742	0	43	0.0	-76.65	331.54	9.78	-66.87
CC[NH+]1CCN(CCC(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300001908745	0	49	0.0	-71.32	361.78	7.60	-63.72
CCN1CC[NH+](CCC(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300001908745	1	49	0.0	-67.45	361.87	7.77	-59.68
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCSCC1CC(=O)[O-]	REAL300001908752	1	45	0.0	-59.48	348.68	10.07	-49.41
CC(C(=O)N1CCSCC1CC(=O)[O-])[NH+]1CCCCCC1	REAL300001908781	0	47	0.0	-55.84	327.04	9.32	-46.52
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCSCC3CC(=O)[O-])=CC=C1N2	REAL300001908812	1	49	0.0	-82.13	372.50	10.60	-71.53
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCSCC3CC(=O)[O-])=CC=C1N2	REAL300001908812	1	49	0.0	-81.73	371.99	10.48	-71.25
CC[NH+](CC)CC1=CC=C(C(=O)N2CCSCC2CC(=O)[O-])O1	REAL300001908856	0	47	0.0	-82.94	360.09	10.30	-72.64
O=C([O-])CC1CSCCN1C(=O)CCCC[NH+]1CCCC1	REAL300001908857	0	47	0.0	-73.16	354.59	10.43	-62.73
CC1=CC=C(N2CCC(C(=O)N3CCSCC3CC(=O)[O-])CC2)[NH+]=C1	REAL300001908859	1	50	0.0	-75.74	375.86	9.99	-65.75
C[N@H+](CC(=O)N1CCSCC1CC(=O)[O-])CC1=CC=CC=C1	REAL300001908860	1	44	0.0	-63.99	339.91	10.53	-53.46
C[N@@H+](CC(=O)N1CCSCC1CC(=O)[O-])CC1=CC=CC=C1	REAL300001908860	1	44	0.0	-59.22	339.89	10.39	-48.83
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCSCC3CC(=O)[O-])C=C2)CC1	REAL300001908864	0	56	0.0	-89.11	405.58	10.56	-78.55
O=C([O-])CC1CSCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300001908876	1	39	0.0	-77.30	318.25	8.19	-69.11
C[NH+](C)CC1=CC(C(=O)N2CCSCC2CC(=O)[O-])=NO1	REAL300001908898	1	40	0.0	-79.05	318.23	8.17	-70.88
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCSCC1CC(=O)[O-]	REAL300001908903	0	51	0.0	-67.61	374.90	11.87	-55.74
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCSCC1CC(=O)[O-]	REAL300001908903	1	51	0.0	-66.24	376.96	11.92	-54.32
CC(C)[N@@H+]1CCCC1C(=O)N1CCSCC1CC(=O)[O-]	REAL300001908921	0	44	0.0	-64.68	306.07	9.00	-55.68
CC(C)[N@H+]1CCCC1C(=O)N1CCSCC1CC(=O)[O-]	REAL300001908921	1	44	0.0	-53.62	304.35	8.37	-45.25
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300001908927	0	52	0.0	-87.43	404.72	11.59	-75.84
C[NH+]1CCC(OCC(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300001908939	0	45	0.0	-80.66	343.21	8.75	-71.91
O=C([O-])CC1CSCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001908945	0	48	0.0	-81.09	365.07	10.37	-70.72
CCC[N@@H+]1CCCC(C(=O)N2CCSCC2CC(=O)[O-])C1	REAL300001909085	0	47	0.0	-53.64	335.04	9.71	-43.93
CCC[N@H+]1CCCC(C(=O)N2CCSCC2CC(=O)[O-])C1	REAL300001909085	1	47	0.0	-56.88	334.00	9.86	-47.02
O=C([O-])CC1CSCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300001909113	1	45	0.0	-56.35	336.63	5.96	-50.39
CC(C)[N@@H+]1CCCC(C(=O)N2CCSCC2CC(=O)[O-])C1	REAL300001909285	0	47	0.0	-53.19	329.99	9.69	-43.50
CC(C)[N@H+]1CCCC(C(=O)N2CCSCC2CC(=O)[O-])C1	REAL300001909285	1	47	0.0	-48.35	327.23	9.33	-39.02
C[N@@H+]1CC(C(=O)N2CCSCC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300001909286	0	41	0.0	-59.59	312.73	7.96	-51.63
C[N@H+]1CC(C(=O)N2CCSCC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300001909286	1	41	0.0	-75.03	306.40	7.83	-67.20
CC1=C(C)[NH+]=C(CCC(=O)N2CCSCC2CC(=O)[O-])N1	REAL300001909309	1	42	0.0	-59.12	333.45	8.21	-50.91
C[NH+](C)CCC1=CC=CC(C(=O)N2CCSCC2CC(=O)[O-])=C1	REAL300001909693	0	47	0.0	-78.43	360.28	11.02	-67.41
C[NH+](C)CCOC1=CC=C(C(=O)N2CCSCC2CC(=O)[O-])C=C1	REAL300001909700	0	48	0.0	-83.77	369.51	9.84	-73.93
O=C([O-])CC1CSCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001909785	0	54	0.0	-72.40	402.94	12.95	-59.45
CC1C[N@H+](CC2=CC=C(C(=O)N3CCSCC3CC(=O)[O-])C=C2)CCO1	REAL300001909787	1	52	0.0	-90.09	391.40	10.29	-79.80
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCSCC3CC(=O)[O-])C=C2)CCO1	REAL300001909787	1	52	0.0	-91.34	390.45	10.40	-80.94
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCSCC2CC(=O)[O-])CC1	REAL300001909815	0	47	0.0	-68.20	329.92	9.13	-59.07
CC1=[NH+]C=C2C=CC(C(=O)N3CCSCC3CC(=O)[O-])=CN21	REAL300001909820	0	39	0.0	-68.62	310.94	9.96	-58.66
CC(C)C[N@@H+]1CCCC(C(=O)N2CCSCC2CC(=O)[O-])C1	REAL300001909870	0	50	0.0	-52.59	348.89	10.46	-42.13
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CCN1CC[NH+](CCC(=O)N(CC(=O)[O-])C2CCOCC2)CC1	REAL300001916225	1	52	0.0	-49.84	375.94	5.78	-44.06
CC(C)C1=[NH+]C=CN1CCC(=O)N(CC(=O)[O-])C1CCOCC1	REAL300001916232	1	48	0.0	-48.23	366.99	8.39	-39.84
CC(C(=O)N(CC(=O)[O-])C1CCOCC1)[NH+]1CCCCCC1	REAL300001916260	0	50	0.0	-65.49	341.01	7.54	-57.95
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C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N(CC(=O)[O-])C3CCOCC3)=CC=C1N2	REAL300001916291	1	52	0.0	-83.92	385.17	8.53	-75.39
CC[NH+](CC)CC1=CC=C(C(=O)N(CC(=O)[O-])C2CCOCC2)O1	REAL300001916335	0	50	0.0	-51.86	375.94	8.63	-43.23
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CC1=CC=C(N2CCC(C(=O)N(CC(=O)[O-])C3CCOCC3)CC2)[NH+]=C1	REAL300001916338	1	53	0.0	-74.79	389.09	7.96	-66.83
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CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(CC(=O)[O-])C3CCOCC3)C=C2)CC1	REAL300001916343	0	59	0.0	-73.11	414.20	8.38	-64.73
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CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(CC(=O)[O-])C1CCOCC1	REAL300001916382	1	54	0.0	-51.44	399.69	10.43	-41.01
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CCC[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300001916559	0	50	0.0	-61.59	351.12	8.08	-53.51
CCC[N@H+]1CCCC(C(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300001916559	1	50	0.0	-58.49	350.44	8.01	-50.48
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CC(C)[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300001916757	0	50	0.0	-60.43	346.66	7.87	-52.56
CC(C)[N@H+]1CCCC(C(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300001916757	1	50	0.0	-57.99	345.20	7.77	-50.22
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CC1=C(C)[NH+]=C(CCC(=O)N(CC(=O)[O-])C2CCOCC2)N1	REAL300001916782	1	45	0.0	-47.48	347.61	6.40	-41.08
C[NH+](C)CCC1=CC=CC(C(=O)N(CC(=O)[O-])C2CCOCC2)=C1	REAL300001917166	0	50	0.0	-80.44	372.52	8.96	-71.48
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CC1C[N@H+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CCOCC3)C=C2)CCO1	REAL300001917257	1	55	0.0	-74.18	393.50	8.17	-66.01
CC1C[N@@H+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CCOCC3)C=C2)CCO1	REAL300001917257	1	55	0.0	-74.29	393.54	8.17	-66.12
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CC(C)C[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300001917339	0	53	0.0	-73.33	377.96	8.61	-64.72
CC(C)C[N@H+]1CCCC(C(=O)N(CC(=O)[O-])C2CCOCC2)C1	REAL300001917339	1	53	0.0	-70.17	376.04	8.54	-61.63
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CC(C(=O)N(CCC(=O)[O-])C1CCOCC1)N1CC[NH+](C)CC1	REAL300001919753	1	52	0.0	-56.98	373.24	5.55	-51.43
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CC(C)[N@@H+]1CCCC1C(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300001920812	0	50	0.0	-70.14	346.07	7.54	-62.60
CC(C)[N@H+]1CCCC1C(=O)N(CCC(=O)[O-])C1CCOCC1	REAL300001920812	1	50	0.0	-45.32	340.24	7.26	-38.06
C[NH+](C)CCOC1=CC=C(C=CC(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300001920819	0	58	0.0	-65.33	443.65	10.31	-55.02
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CCC[N@@H+]1CCCC(C(=O)N(CCC(=O)[O-])C2CCOCC2)C1	REAL300001920984	0	53	0.0	-76.30	382.34	8.40	-67.90
CCC[N@H+]1CCCC(C(=O)N(CCC(=O)[O-])C2CCOCC2)C1	REAL300001920984	1	53	0.0	-66.68	372.31	8.45	-58.23
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CC(C)[N@H+]1CCCC(C(=O)N(CCC(=O)[O-])C2CCOCC2)C1	REAL300001921195	1	53	0.0	-71.97	364.45	7.94	-64.03
C[N@@H+]1CC(C(=O)N(CCC(=O)[O-])C2CCOCC2)C(C(F)(F)F)C1	REAL300001921196	0	47	0.0	-78.08	363.68	7.20	-70.88
C[N@H+]1CC(C(=O)N(CCC(=O)[O-])C2CCOCC2)C(C(F)(F)F)C1	REAL300001921196	1	47	0.0	-78.74	350.33	6.60	-72.14
CC1=C(C)[NH+]=C(CCC(=O)N(CCC(=O)[O-])C2CCOCC2)N1	REAL300001921218	1	48	0.0	-47.91	370.96	7.05	-40.86
C[NH+](C)CCC1=CC=CC(C(=O)N(CCC(=O)[O-])C2CCOCC2)=C1	REAL300001921610	0	53	0.0	-72.50	390.06	9.25	-63.25
C[NH+](C)CCOC1=CC=C(C(=O)N(CCC(=O)[O-])C2CCOCC2)C=C1	REAL300001921618	0	54	0.0	-77.35	397.29	8.21	-69.14
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CC(C(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])N1CC[NH+](C)CC1	REAL300001924189	1	49	0.0	-75.02	362.05	7.94	-67.08
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300001924222	0	44	0.0	-59.74	327.76	9.49	-50.25
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CC[N@H+](CC1=CC=C(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1)C(C)C	REAL300001924456	0	56	0.0	-87.80	409.74	12.76	-75.04
CC[N@@H+](CC1=CC=C(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1)C(C)C	REAL300001924456	1	56	0.0	-86.93	402.50	12.38	-74.55
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CCC(C(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])[NH+](CC)CC	REAL300001924519	0	49	0.0	-58.73	345.98	10.17	-48.56
CC(C(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300001924521	0	50	0.0	-68.95	380.47	11.98	-56.97
CC(C(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300001924521	1	50	0.0	-65.70	379.00	11.95	-53.75
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001924530	0	57	0.0	-60.28	429.24	14.00	-46.28
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001924530	1	57	0.0	-78.32	431.90	14.08	-64.24
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=N1	REAL300001924543	0	46	0.0	-86.72	360.04	9.75	-76.97
CCC[NH+](CCC)CCCC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300001924549	0	55	0.0	-75.17	410.69	12.34	-62.83
C[N@@H+]1CCOC(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300001924551	1	42	0.0	-76.69	311.20	8.07	-68.62
C[N@H+]1CCOC(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300001924551	1	42	0.0	-80.58	322.47	8.26	-72.32
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300001924558	1	45	0.0	-64.36	354.45	10.70	-53.66
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CCN1CCC([NH+]2CCC(C(=O)N3CCC4=CC=CC=C4C3C(=O)[O-])CC2)CC1	REAL300001924584	0	62	0.0	-78.98	441.95	10.91	-68.07
C[NH+](C)CC1(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300001924586	0	44	0.0	-77.45	333.66	9.56	-67.89
C[NH+](C)CCCCC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300001924595	0	46	0.0	-79.56	353.50	10.27	-69.29
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001924604	1	55	0.0	-85.61	415.68	12.61	-73.00
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001924604	1	55	0.0	-83.42	423.01	12.55	-70.87
CC1=C(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300001924616	1	45	0.0	-84.70	360.59	9.54	-75.16
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001924619	0	54	0.0	-68.59	404.96	12.94	-55.65
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300001924631	1	47	0.0	-74.44	368.93	10.40	-64.04
C[NH+](C)CCC1=CC=C(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=C1	REAL300001924632	0	50	0.0	-74.09	385.90	11.92	-62.17
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300001924638	1	43	0.0	-65.54	338.18	8.63	-56.91
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001924639	1	52	0.0	-85.58	395.06	11.84	-73.74
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001924639	1	52	0.0	-85.63	395.10	11.83	-73.80
C[N@H+](CC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1CCC1	REAL300001924658	0	44	0.0	-64.50	334.79	9.95	-54.55
C[N@@H+](CC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1CCC1	REAL300001924658	1	44	0.0	-63.96	334.37	10.07	-53.89
CC(C(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])[NH+]1CCSCC1	REAL300001924681	1	45	0.0	-62.75	344.35	9.99	-52.76
C[N@H+](CC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])CC(C)(C)C	REAL300001924687	0	49	0.0	-65.31	355.96	10.48	-54.83
C[N@@H+](CC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])CC(C)(C)C	REAL300001924687	1	49	0.0	-65.59	357.75	10.59	-55.00
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300001924689	0	50	0.0	-68.72	387.27	12.51	-56.21
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300001924689	1	50	0.0	-68.64	387.25	12.50	-56.14
COCCOCC[N@H+](C)CCC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300001924690	0	54	0.0	-73.48	416.25	8.75	-64.73
COCCOCC[N@@H+](C)CCC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300001924690	1	54	0.0	-73.34	416.31	8.76	-64.58
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300001924693	0	48	0.0	-64.57	348.65	8.26	-56.31
C[N@H+]1CCCC(O)(CC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300001924693	1	48	0.0	-74.62	345.86	8.36	-66.26
CCCCCC[N@H+](C)CC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300001924704	0	52	0.0	-67.04	391.84	11.82	-55.22
CCCCCC[N@@H+](C)CC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-]	REAL300001924704	1	52	0.0	-68.01	392.43	11.71	-56.30
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300001924718	1	39	0.0	-84.31	322.92	11.46	-72.85
C[N@H+](CC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1CCSC1	REAL300001924732	0	45	0.0	-68.65	347.46	10.32	-58.33
C[N@@H+](CC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])C1CCSC1	REAL300001924732	1	45	0.0	-71.39	347.46	10.31	-61.08
CC(C)[NH+]1CCN(CCC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300001924746	0	55	0.0	-75.42	403.48	9.31	-66.11
CC(C)N1CC[NH+](CCC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300001924746	1	55	0.0	-72.43	402.88	9.29	-63.14
CC(C)[NH+]1CCN(CCCC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300001924747	0	58	0.0	-74.58	419.87	9.74	-64.84
CC(C)N1CC[NH+](CCCC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])CC1	REAL300001924747	1	58	0.0	-76.10	421.47	9.90	-66.20
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300001924748	0	48	0.0	-44.23	351.81	10.77	-33.46
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C[NH+](C)CCN1C=C(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C=N1	REAL300001924750	0	47	0.0	-83.29	369.23	9.24	-74.05
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001924754	0	56	0.0	-76.30	420.93	11.47	-64.83
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300001924756	0	53	0.0	-78.50	403.18	11.38	-67.12
O=C([O-])C1C2=CC=CC=C2CCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300001924756	1	53	0.0	-57.24	392.28	11.29	-45.95
CC(C(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300001924761	1	51	0.0	-48.19	381.21	12.37	-35.82
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CCC[N@H+]1CCCC(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300001925451	1	50	0.0	-76.13	372.00	11.02	-65.11
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CC(C)[N@@H+]1CCCC(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300001925661	0	50	0.0	-72.63	367.28	10.70	-61.93
CC(C)[N@H+]1CCCC(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300001925661	1	50	0.0	-69.77	367.29	10.73	-59.04
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CC1=C(C)[NH+]=C(CCC(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])N1	REAL300001925685	1	45	0.0	-67.42	358.25	9.41	-58.01
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])=C1	REAL300001926084	0	50	0.0	-83.27	385.43	12.00	-71.27
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CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300001926269	0	53	0.0	-69.86	389.64	11.64	-58.22
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CC[N@@H+]1CCCC(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300001926270	0	47	0.0	-74.16	337.75	10.06	-64.10
CC[N@H+]1CCCC(C(=O)N2CCC3=CC=CC=C3C2C(=O)[O-])C1	REAL300001926270	1	47	0.0	-75.59	350.60	10.29	-65.30
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CCN1CCC([NH+]2CCC(C(=O)NC(C(=O)[O-])C3CC3)CC2)CC1	REAL300001928442	0	55	0.0	-73.01	394.42	7.17	-65.84
CC1C[NH+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CC3)C=C2)CC(C)O1	REAL300001928447	1	51	0.0	-84.03	396.32	8.77	-75.26
O=C([O-])C(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300001928456	1	48	0.0	-79.94	370.37	8.85	-71.09
O=C([O-])C(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300001928456	1	48	0.0	-77.25	370.97	8.88	-68.37
CC1=C(C(=O)NC(C(=O)[O-])C2CC2)C=NN1C1=CC=[NH+]C=C1	REAL300001928469	1	38	0.0	-78.50	319.10	6.27	-72.23
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1CC1	REAL300001928472	0	47	0.0	-81.89	365.56	9.72	-72.17
O=C([O-])C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300001928483	1	45	0.0	-71.40	351.17	8.29	-63.11
O=C([O-])C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300001928483	1	45	0.0	-77.08	360.32	8.45	-68.63
CC(C(=O)NC(C(=O)[O-])C1CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001928491	0	53	0.0	-59.64	398.86	10.84	-48.80
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1CC1	REAL300001928508	0	47	0.0	-65.18	368.82	4.97	-60.21
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1CC1	REAL300001928508	1	47	0.0	-66.38	374.36	5.03	-61.35
O=C([O-])C(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300001928514	0	52	0.0	-73.09	400.48	8.57	-64.52
CC(C)[NH+]1CCN(CCCC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300001928530	0	51	0.0	-70.36	379.65	6.35	-64.01
CC(C)N1CC[NH+](CCCC(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300001928530	1	51	0.0	-67.33	377.02	6.20	-61.13
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O=C([O-])C(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300001928535	0	49	0.0	-69.12	372.95	7.66	-61.46
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1CC1	REAL300001928538	0	46	0.0	-67.05	355.99	8.05	-59.00
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CC(C(=O)NC(C(=O)[O-])C1CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001928541	1	44	0.0	-59.55	341.17	8.99	-50.56
CC(C(=O)NC(C(=O)[O-])C1CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001928541	1	44	0.0	-61.20	341.28	8.75	-52.45
O=C([O-])C(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300001928555	0	47	0.0	-71.29	366.22	9.56	-61.73
O=C([O-])C(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300001928555	1	47	0.0	-72.79	370.68	9.64	-63.15
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1CC1	REAL300001928564	0	47	0.0	-66.16	365.47	9.88	-56.28
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1CC1	REAL300001928564	1	47	0.0	-61.88	367.43	9.89	-51.99
O=C([O-])C(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1CC1	REAL300001928566	0	48	0.0	-68.63	371.21	7.11	-61.52
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2CC2)CC1	REAL300001928578	1	47	0.0	-75.77	362.46	7.92	-67.85
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(C(=O)[O-])C3CC3)=C2)CC1	REAL300001928589	0	49	0.0	-74.67	380.18	7.30	-67.37
C[NH+]1CCN(CC2=CC=C(C(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300001928590	0	49	0.0	-79.24	382.05	7.15	-72.09
CN1CC[NH+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300001928590	1	49	0.0	-82.56	382.39	7.22	-75.34
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300001928591	0	50	0.0	-80.56	389.30	9.05	-71.51
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1CC1	REAL300001928613	0	51	0.0	-84.01	394.71	7.05	-76.96
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300001928615	0	47	0.0	-61.75	357.71	9.78	-51.97
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300001928615	1	47	0.0	-60.19	359.02	9.81	-50.38
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3CC3)=CC=C1N2	REAL300001928679	1	45	0.0	-82.29	359.32	8.32	-73.97
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3CC3)=CC=C1N2	REAL300001928679	1	45	0.0	-82.64	355.97	8.29	-74.35
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C3CC3)CC2)[NH+]=C1	REAL300001928709	1	46	0.0	-71.27	360.24	7.49	-63.78
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C(=O)[O-])C3CC3)C=C2)CC1	REAL300001928712	0	52	0.0	-82.08	386.82	8.23	-73.85
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CC1	REAL300001928733	0	47	0.0	-68.23	366.11	9.43	-58.80
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CC1	REAL300001928733	1	47	0.0	-67.57	365.09	9.48	-58.09
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300001928746	0	48	0.0	-83.03	383.15	8.81	-74.22
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CC1	REAL300001928755	0	44	0.0	-75.88	351.23	8.00	-67.88
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300001929132	0	44	0.0	-81.13	351.27	7.67	-73.46
O=C([O-])C(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300001929171	0	50	0.0	-67.47	382.57	10.32	-57.15
CC1C[N@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CC3)C=C2)CCO1	REAL300001929173	1	48	0.0	-85.47	368.32	8.04	-77.43
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CC3)C=C2)CCO1	REAL300001929173	1	48	0.0	-84.69	366.22	8.02	-76.67
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1OC	REAL300001930028	0	55	0.0	-83.64	431.83	10.13	-73.51
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=C1OC	REAL300001931144	0	49	0.0	-77.58	380.19	7.76	-69.82
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)=C1OC	REAL300001931168	1	47	0.0	-69.60	378.80	7.64	-61.96
COC1=CC(C(=O)[O-])=CC(NC(=O)C(C)N2CC[NH+](C)CC2)=C1OC	REAL300001931232	1	50	0.0	-72.54	381.38	4.70	-67.84
COC1=CC(C(=O)[O-])=CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)=C1OC	REAL300001931262	1	45	0.0	-69.48	342.40	6.32	-63.16
COC1=CC(C(=O)[O-])=CC(NC(=O)[C@@H]2CCCC[N@H+]2C)=C1OC	REAL300001931262	1	45	0.0	-66.95	351.35	6.53	-60.42
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CC[NH+](C)CC2)=C1OC	REAL300001931326	0	45	0.0	-80.75	355.34	6.56	-74.19
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=C1OC	REAL300001931353	0	40	0.0	-76.92	340.02	8.43	-68.49
COC1=CC(C(=O)[O-])=CC(NC(=O)C2(C[NH+](C)C)CCCCC2)=C1OC	REAL300001931382	0	54	0.0	-79.81	392.47	8.61	-71.20
COC1=CC(C(=O)[O-])=CC(NC(=O)CC[N@H+](C)C2CCCCC2)=C1OC	REAL300001931386	0	54	0.0	-77.49	409.39	8.49	-69.00
COC1=CC(C(=O)[O-])=CC(NC(=O)CC[N@@H+](C)C2CCCCC2)=C1OC	REAL300001931386	1	54	0.0	-77.51	409.39	8.49	-69.02
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC[N@@H+]2C)=C1OC	REAL300001931399	1	42	0.0	-69.73	330.51	5.46	-64.27
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC[N@H+]2C)=C1OC	REAL300001931399	1	42	0.0	-73.30	329.66	5.46	-67.84
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CC[NH+](C)CC2)=C1OC	REAL300001931445	0	45	0.0	-80.75	355.34	6.56	-74.19
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C1OC	REAL300001931448	0	48	0.0	-86.75	398.82	7.53	-79.22
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=C1OC	REAL300001931459	0	56	0.0	-83.69	422.51	7.16	-76.53
COC1=CC(C(=O)[O-])=CC(NC(=O)CCCN2C=C[NH+]=C2C)=C1OC	REAL300001931490	1	46	0.0	-73.93	381.94	7.82	-66.11
COC1=CC(C(=O)[O-])=CC(NC(=O)CCCC[NH+]2CCOCC2)=C1OC	REAL300001931491	1	52	0.0	-80.90	409.23	6.50	-74.40
COC1=CC(C(=O)[O-])=CC(NC(=O)[C@H]2CCC[N@@H+]2C)=C1OC	REAL300001931495	1	42	0.0	-68.99	336.29	5.96	-63.03
COC1=CC(C(=O)[O-])=CC(NC(=O)[C@H]2CCC[N@H+]2C)=C1OC	REAL300001931495	1	42	0.0	-74.00	330.55	5.46	-68.54
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1OC	REAL300001931528	0	52	0.0	-76.58	414.17	9.28	-67.30
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1OC	REAL300001931528	1	52	0.0	-76.17	415.91	9.40	-66.77
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=C1OC	REAL300001931529	0	53	0.0	-85.60	414.56	8.79	-76.81
COC1=CC(C(=O)[O-])=CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=C1OC	REAL300001931552	0	56	0.0	-78.09	406.91	6.76	-71.33
CCC(C(=O)NC1=CC(C(=O)[O-])=CC(OC)=C1OC)[NH+](CC)CC	REAL300001931556	0	50	0.0	-63.98	374.79	7.32	-56.66
COC1=CC(C(=O)[O-])=CC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=C1OC	REAL300001931558	1	51	0.0	-74.81	404.64	8.90	-65.91
COC1=CC(C(=O)[O-])=CC(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=C1OC	REAL300001931558	1	51	0.0	-73.94	404.95	8.93	-65.01
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)=C1OC	REAL300001931577	0	47	0.0	-83.52	384.89	6.54	-76.98
CCC[NH+](CCC)CCCC(=O)NC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300001931580	0	56	0.0	-76.68	428.94	8.81	-67.87
COC1=CC(C(=O)[O-])=CC(NC(=O)CN2C=C[NH+]=C2C(C)C)=C1OC	REAL300001931589	1	46	0.0	-68.05	374.77	7.66	-60.39
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=C1OC	REAL300001931604	0	52	0.0	-86.73	413.93	9.55	-77.18
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=C1OC	REAL300001931609	0	55	0.0	-77.53	430.68	10.24	-67.29
COC1=CC(C(=O)[O-])=CC(NC(=O)C2(C[NH+](C)C)CC2)=C1OC	REAL300001931612	0	45	0.0	-77.44	361.49	6.66	-70.78
COC1=CC(C(=O)[O-])=CC(NC(=O)CCCC[NH+](C)C)=C1OC	REAL300001931619	0	47	0.0	-79.46	376.33	7.04	-72.42
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)=C1OC	REAL300001931638	1	46	0.0	-82.97	384.16	6.76	-76.21
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=C1OC	REAL300001931641	0	55	0.0	-87.71	430.67	10.26	-77.45
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=C1OC	REAL300001931651	1	48	0.0	-81.36	394.39	7.01	-74.35
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=C1OC	REAL300001931652	0	51	0.0	-89.94	411.61	9.24	-80.70
CCC[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300001931664	0	44	0.0	-72.61	348.39	6.35	-66.26
CCC[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300001931664	1	44	0.0	-72.58	348.38	6.34	-66.24
COC1=CC(C(=O)[O-])=CC(NC(=O)C[N@H+](C)C2CCC2)=C1OC	REAL300001931678	0	45	0.0	-70.30	355.26	6.91	-63.39
COC1=CC(C(=O)[O-])=CC(NC(=O)C[N@@H+](C)C2CCC2)=C1OC	REAL300001931678	1	45	0.0	-69.90	355.35	6.92	-62.98
COC1=CC(C(=O)[O-])=CC(NC(=O)C[N@H+](C)CC(C)(C)C)=C1OC	REAL300001931703	0	50	0.0	-71.50	380.44	7.43	-64.07
COC1=CC(C(=O)[O-])=CC(NC(=O)C[N@@H+](C)CC(C)(C)C)=C1OC	REAL300001931703	1	50	0.0	-73.01	378.43	7.32	-65.69
COC1=CC(C(=O)[O-])=CC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)=C1OC	REAL300001931705	1	51	0.0	-75.59	410.11	9.35	-66.24
COC1=CC(C(=O)[O-])=CC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=C1OC	REAL300001931705	1	51	0.0	-75.45	408.29	9.37	-66.08
COCCOCC[N@H+](C)CCC(=O)NC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300001931706	0	55	0.0	-76.10	438.94	5.53	-70.57
COCCOCC[N@@H+](C)CCC(=O)NC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300001931706	1	55	0.0	-78.27	439.15	5.54	-72.73
CC[C@@H](C(=O)NC1=CC(C(=O)[O-])=CC(OC)=C1OC)[NH+](C)C	REAL300001931709	0	44	0.0	-68.46	339.55	5.93	-62.53
COC1=CC(C(=O)[O-])=CC(NC(=O)CC2(O)CCC[N@H+](C)C2)=C1OC	REAL300001931711	0	49	0.0	-69.90	380.26	5.14	-64.76
COC1=CC(C(=O)[O-])=CC(NC(=O)CC2(O)CCC[N@@H+](C)C2)=C1OC	REAL300001931711	1	49	0.0	-70.35	371.32	4.94	-65.41
CCCCCC[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300001931723	0	53	0.0	-73.82	412.89	8.69	-65.13
CCCCCC[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300001931723	1	53	0.0	-73.78	412.88	8.68	-65.10
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=C1OC	REAL300001931737	1	40	0.0	-83.26	341.41	8.42	-74.84
COC1=CC(C(=O)[O-])=CC(NC(=O)C[N@H+](C)C2CCSC2)=C1OC	REAL300001931746	1	46	0.0	-75.57	370.24	7.16	-68.41
COC1=CC(C(=O)[O-])=CC(NC(=O)C[N@@H+](C)C2CCSC2)=C1OC	REAL300001931746	1	46	0.0	-77.66	368.65	7.17	-70.49
COC1=CC(C(=O)[O-])=CC(NC(=O)CCN2CC[NH+](C(C)C)CC2)=C1OC	REAL300001931761	0	56	0.0	-77.43	421.21	5.70	-71.73
COC1=CC(C(=O)[O-])=CC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)=C1OC	REAL300001931762	0	59	0.0	-75.44	447.82	6.89	-68.55
COC1=CC(C(=O)[O-])=CC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)=C1OC	REAL300001931762	1	59	0.0	-77.49	444.64	6.72	-70.77
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCCC3CCC[N@@H+]32)=C1OC	REAL300001931763	0	49	0.0	-71.21	366.81	7.42	-63.79
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCCC3CCC[N@H+]32)=C1OC	REAL300001931763	1	49	0.0	-71.28	366.53	7.48	-63.80
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CN(CC[NH+](C)C)N=C2)=C1OC	REAL300001931765	0	48	0.0	-84.38	395.29	6.38	-78.00
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=C1OC	REAL300001931770	0	54	0.0	-78.43	420.60	8.52	-69.91
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=C1OC	REAL300001931770	1	54	0.0	-72.63	420.89	8.43	-64.20
COC1=CC(C(=O)[O-])=CC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=C1OC	REAL300001931790	0	55	0.0	-81.14	433.88	10.07	-71.07
COC1=CC(C(=O)[O-])=CC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=C1OC	REAL300001931790	1	55	0.0	-82.07	436.56	10.13	-71.94
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=NN(CC[NH+](C)C)C=C2)=C1OC	REAL300001931803	0	48	0.0	-92.03	395.67	6.42	-85.61
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=NN2CC[NH+](C)C)=C1OC	REAL300001931804	0	48	0.0	-62.01	389.49	6.38	-55.63
COC1=CC(C(=O)[O-])=CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)=C1OC	REAL300001931806	0	45	0.0	-78.13	345.91	5.92	-72.21
COC1=CC(C(=O)[O-])=CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)=C1OC	REAL300001931806	1	45	0.0	-75.23	353.25	6.28	-68.95
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300001931807	1	49	0.0	-70.59	396.92	8.11	-62.48
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)CC[N@@H+]1C	REAL300001931810	0	48	0.0	-76.66	367.30	6.57	-70.09
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)CC[N@H+]1C	REAL300001931810	1	48	0.0	-77.88	371.89	6.95	-70.93
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)=C1OC	REAL300001931812	1	49	0.0	-80.54	391.16	5.45	-75.09
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)=C1OC	REAL300001931812	1	49	0.0	-84.02	396.75	5.97	-78.05
COC1=CC(C(=O)[O-])=CC(NC(=O)C2C[N@H+](C)CC(C)O2)=C1OC	REAL300001931817	1	46	0.0	-87.53	362.02	5.56	-81.97
COC1=CC(C(=O)[O-])=CC(NC(=O)C2C[N@@H+](C)CC(C)O2)=C1OC	REAL300001931817	1	46	0.0	-88.77	363.11	5.97	-82.80
COC1=CC(C(=O)[O-])=CC(NC(=O)C[NH+]2CCCC2)=C1OC	REAL300001931824	1	42	0.0	-71.75	334.93	5.93	-65.82
COC1=CC(C(=O)[O-])=CC(NC(=O)CN2C=C[NH+]=C2C)=C1OC	REAL300001931826	1	40	0.0	-69.46	340.40	6.53	-62.93
COC1=CC(C(=O)[O-])=CC(NC(=O)C(C)C[NH+]2CCOCC2)=C1OC	REAL300001931828	1	49	0.0	-76.33	382.50	5.62	-70.71
COC1=CC(C(=O)[O-])=CC(NC(=O)C[NH+]2CCC(C)CC2)=C1OC	REAL300001931847	1	48	0.0	-73.97	373.29	7.38	-66.59
CC[N@@H+]1CCOC(C(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)C1	REAL300001931858	1	46	0.0	-86.96	365.00	5.91	-81.05
CC[N@H+]1CCOC(C(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)C1	REAL300001931858	1	46	0.0	-79.26	359.37	5.73	-73.53
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=C1OC	REAL300001931887	0	55	0.0	-73.09	416.38	8.82	-64.27
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)=C1OC	REAL300001931887	1	55	0.0	-77.24	416.32	8.78	-68.46
COC1=CC(C(=O)[O-])=CC(NC(=O)CCC2CCC[N@@H+]2C)=C1OC	REAL300001931893	0	48	0.0	-73.66	371.89	6.94	-66.72
COC1=CC(C(=O)[O-])=CC(NC(=O)CCC2CCC[N@H+]2C)=C1OC	REAL300001931893	1	48	0.0	-80.59	378.36	7.40	-73.19
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC3CCCC[N@@H+]32)=C1OC	REAL300001931904	0	49	0.0	-67.51	378.48	7.80	-59.71
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC3CCCC[N@H+]32)=C1OC	REAL300001931904	1	49	0.0	-71.17	370.51	7.40	-63.77
CC[NH+](CC)CC(=O)NC1=CC(C(=O)[O-])=CC(OC)=C1OC	REAL300001931924	0	44	0.0	-70.91	342.23	5.97	-64.94
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CC[NH+](C(C)C)CC2)=C1OC	REAL300001931926	0	51	0.0	-78.10	389.65	7.75	-70.35
COC1=CC(C(=O)[O-])=CC(NC(=O)C23CC[NH+](CC2)C3)=C1OC	REAL300001931993	0	43	0.0	-78.47	342.48	5.46	-73.01
CCC(C(=O)NC1=CC(C(=O)[O-])=CC(OC)=C1OC)[NH+](C)C	REAL300001931996	0	44	0.0	-67.01	340.47	5.92	-61.09
COC1=CC(C(=O)[O-])=CC(NC(=O)C23CC[N@H+](C2)CCC3)=C1OC	REAL300001932003	0	46	0.0	-76.49	353.25	6.11	-70.38
COC1=CC(C(=O)[O-])=CC(NC(=O)C23CC[N@@H+](C2)CCC3)=C1OC	REAL300001932003	1	46	0.0	-77.38	351.16	6.14	-71.24
COC1=CC(C(=O)[O-])=CC(NC(=O)C[NH+]2C(C)CCC2C)=C1OC	REAL300001932038	0	48	0.0	-68.99	367.71	6.77	-62.22
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)=C1OC	REAL300001932039	0	48	0.0	-79.62	389.17	8.40	-71.22
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=C1OC	REAL300001932040	0	55	0.0	-71.67	424.89	10.33	-61.34
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=C1OC	REAL300001932040	1	55	0.0	-71.56	425.64	10.27	-61.29
C#CC[NH+]1CCC(C(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)CC1	REAL300001932088	0	47	0.0	-82.19	378.09	7.73	-74.46
CC[NH+]1CCN(CCC(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)CC1	REAL300001932090	0	53	0.0	-80.20	406.59	5.44	-74.76
CCN1CC[NH+](CCC(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)CC1	REAL300001932090	1	53	0.0	-76.43	409.58	5.56	-70.87
COC1=CC(C(=O)[O-])=CC(NC(=O)C[N@H+](C)C(C)C)=C1OC	REAL300001932091	0	44	0.0	-69.51	343.58	6.12	-63.39
COC1=CC(C(=O)[O-])=CC(NC(=O)C[N@@H+](C)C(C)C)=C1OC	REAL300001932091	1	44	0.0	-69.92	343.58	6.13	-63.79
COC1=CC(C(=O)[O-])=CC(NC(=O)CCN2C=C[NH+]=C2C(C)C)=C1OC	REAL300001932096	1	49	0.0	-69.60	396.39	8.06	-61.54
CC[N@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(OC)=C1OC)C1CC1	REAL300001932103	0	45	0.0	-68.64	359.57	6.94	-61.70
CC[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(OC)=C1OC)C1CC1	REAL300001932103	1	45	0.0	-67.42	355.97	6.66	-60.76
COC1=CC(C(=O)[O-])=CC(NC(=O)C(C)[NH+]2CCCCCC2)=C1OC	REAL300001932127	0	51	0.0	-68.22	379.15	7.35	-60.87
COC1=CC(C(=O)[O-])=CC(NC(=O)[C@@H]2CCC[N@@H+]2C)=C1OC	REAL300001932130	1	42	0.0	-69.83	329.64	5.46	-64.37
COC1=CC(C(=O)[O-])=CC(NC(=O)[C@@H]2CCC[N@H+]2C)=C1OC	REAL300001932130	1	42	0.0	-69.40	336.70	5.93	-63.47
COC1=CC(C(=O)[O-])=CC(NC(=O)C[NH2+]C(C)(C)C)=C1OC	REAL300001932197	0	44	0.0	-70.63	349.92	4.62	-66.01
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)O1	REAL300001932199	0	51	0.0	-81.82	411.05	8.06	-73.76
COC1=CC(C(=O)[O-])=CC(NC(=O)CCCC[NH+]2CCCC2)=C1OC	REAL300001932200	0	51	0.0	-77.77	402.30	8.22	-69.55
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)=C1OC	REAL300001932202	1	54	0.0	-77.32	425.23	7.97	-69.35
COC1=CC(C(=O)[O-])=CC(NC(=O)C[N@H+](C)CC2=CC=CC=C2)=C1OC	REAL300001932203	1	48	0.0	-77.28	385.84	8.53	-68.75
COC1=CC(C(=O)[O-])=CC(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)=C1OC	REAL300001932203	1	48	0.0	-77.67	387.63	8.51	-69.16
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=NOC(C[NH+](C)C)=C2)=C1OC	REAL300001932248	1	44	0.0	-83.04	369.06	5.88	-77.16
COC1=CC(C(=O)[O-])=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)=C1OC	REAL300001932252	0	55	0.0	-84.53	435.36	9.98	-74.55
COC1=CC(C(=O)[O-])=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)=C1OC	REAL300001932252	1	55	0.0	-81.50	435.86	10.04	-71.46
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC[N@@H+]2C(C)C)=C1OC	REAL300001932264	0	48	0.0	-68.14	369.02	7.01	-61.13
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC[N@H+]2C(C)C)=C1OC	REAL300001932264	1	48	0.0	-68.57	369.84	7.03	-61.54
COC1=CC(C(=O)[O-])=CC(NC(=O)COC2CC[NH+](C)CC2)=C1OC	REAL300001932281	0	49	0.0	-84.04	390.93	6.91	-77.13
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=C1OC	REAL300001932285	0	52	0.0	-84.38	417.12	8.59	-75.79
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)C1	REAL300001932427	0	51	0.0	-65.45	386.90	8.14	-57.31
CCC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)C1	REAL300001932427	1	51	0.0	-74.35	393.35	7.94	-66.41
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC[N@@H+](C(C)C)C2)=C1OC	REAL300001932620	0	51	0.0	-72.82	389.69	7.68	-65.14
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC[N@H+](C(C)C)C2)=C1OC	REAL300001932620	1	51	0.0	-64.96	383.42	7.89	-57.07
COC1=CC(C(=O)[O-])=CC(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)=C1OC	REAL300001932621	0	45	0.0	-76.59	368.10	6.37	-70.22
COC1=CC(C(=O)[O-])=CC(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)=C1OC	REAL300001932621	1	45	0.0	-82.78	374.50	6.71	-76.07
COC1=CC(C(=O)[O-])=CC(NC(=O)CCC2=[NH+]C(C)=C(C)N2)=C1OC	REAL300001932644	1	46	0.0	-70.44	381.21	6.19	-64.25
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)=C1OC	REAL300001933025	0	51	0.0	-81.01	411.61	9.22	-71.79
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)=C1OC	REAL300001933032	0	52	0.0	-88.94	416.86	8.20	-80.74
COC1=CC(C(=O)[O-])=CC(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)=C1OC	REAL300001933146	0	45	0.0	-74.88	360.52	6.65	-68.23
COC1=CC(C(=O)[O-])=CC(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=C1OC	REAL300001933150	0	51	0.0	-72.95	383.49	7.59	-65.36
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CN3C(=C[NH+]=C3C)C=C2)=C1OC	REAL300001933154	0	43	0.0	-72.52	362.56	8.18	-64.34
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC[N@H+](CC(C)C)C2)=C1OC	REAL300001933203	0	54	0.0	-66.80	405.50	8.81	-57.99
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC[N@@H+](CC(C)C)C2)=C1OC	REAL300001933203	1	54	0.0	-73.38	411.94	8.60	-64.78
CC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)C1	REAL300001933204	0	48	0.0	-66.64	367.19	7.39	-59.25
CC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(OC)=C2OC)C1	REAL300001933204	1	48	0.0	-73.40	373.44	7.17	-66.23
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC[N@H+](C)C2)=C1OC	REAL300001933209	0	45	0.0	-64.45	349.15	6.71	-57.74
COC1=CC(C(=O)[O-])=CC(NC(=O)C2CCC[N@@H+](C)C2)=C1OC	REAL300001933209	1	45	0.0	-64.46	349.13	6.71	-57.75
COC1=CC(C(=O)[O-])=CC(NC(=O)C2=CC=C(C[NH+](C)C)O2)=C1OC	REAL300001933211	1	45	0.0	-85.52	374.47	6.62	-78.90
COC1=CC(C(=O)[O-])=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=C1OC	REAL300001933219	1	47	0.0	-74.97	360.69	7.40	-67.57
COC1=CC(C(=O)[O-])=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=C1OC	REAL300001933219	1	47	0.0	-76.81	366.10	7.90	-68.91
C[NH+]1CCN(C(=O)C2CCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])O2)CC1	REAL300001933222	1	46	0.0	-79.06	370.86	5.62	-73.44
C[NH+]1CCN(C(=O)C2=CC=CC=C2SCC2=C(C(=O)[O-])C=CO2)CC1	REAL300001933223	1	45	0.0	-75.73	371.75	9.86	-65.87
CC(SC1=CC=CC=C1C(=O)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300001933224	1	41	0.0	-73.09	329.82	8.67	-64.42
CCOC1=CC(C(=O)N2CC[NH+](C)CC2)=CC=C1OCC(=O)[O-]	REAL300001933225	1	45	0.0	-81.60	353.91	7.80	-73.80
C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300001933226	1	52	0.0	-86.05	409.06	6.93	-79.12
C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)C3=CC=CC=C3C(=O)[O-])CC2)CC1	REAL300001933227	1	52	0.0	-111.72	396.69	7.78	-103.94
C[NH+]1CCN(C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300001933228	1	42	0.0	-80.16	350.37	3.52	-76.64
CC1=NN(C2=CC=C(C(=O)N3CC[NH+](C)CC3)C=C2)C(C)=C1CCC(=O)[O-]	REAL300001933229	1	53	0.0	-80.71	410.67	10.48	-70.23
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CC[NH+](C)CC2)C=C1	REAL300001933230	1	44	0.0	-83.37	346.18	8.38	-74.99
C[NH+]1CCN(C(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C(F)(F)F)C=C2)CC1	REAL300001933231	1	44	0.0	-75.67	357.81	8.53	-67.14
C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CC2)CC1	REAL300001933232	1	49	0.0	-94.22	394.34	5.27	-88.95
CC1=CC(C(=O)N2CC[NH+](C)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300001933234	1	44	0.0	-79.19	343.81	8.54	-70.65
C[NH+]1CCN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300001933235	1	34	0.0	-63.38	293.12	7.44	-55.94
C[NH+]1CCN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC1	REAL300001933236	1	44	0.0	-81.83	334.18	10.70	-71.13
C[NH+]1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300001933237	1	41	0.0	-75.77	325.65	7.40	-68.37
C[NH+]1CCN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300001933238	1	47	0.0	-74.32	350.46	10.09	-64.23
C[NH+]1CCN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300001933239	1	43	0.0	-88.80	339.08	7.69	-81.11
C[NH+]1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300001933240	1	41	0.0	-75.77	325.65	7.40	-68.37
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O=C([O-])C1=CC2=CC(NC(=O)C34CC(C3)C[N@H+]4C3CC3)=CC=C2S1	REAL300001938396	1	42	0.0	-76.34	343.52	10.05	-66.29
CCC(C)N(CC(=O)[O-])C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001939462	0	52	0.0	-51.60	383.16	12.00	-39.60
CCC(C)N(CC(=O)[O-])C(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1	REAL300001940694	1	51	0.0	-51.13	388.10	9.45	-41.68
CCC(C)N(CC(=O)[O-])C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001940738	0	55	0.0	-66.48	419.41	11.50	-54.98
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300001940743	0	55	0.0	-73.99	414.29	13.33	-60.66
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300001940743	1	55	0.0	-74.29	415.65	13.37	-60.92
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300001940852	0	45	0.0	-60.00	347.08	8.82	-51.18
CCC(C)N(CC(=O)[O-])C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300001940870	0	53	0.0	-45.96	361.12	8.51	-37.45
CCC(C)N(CC(=O)[O-])C(=O)CCCC[NH+]1CCOCC1	REAL300001940889	1	49	0.0	-58.56	365.31	8.58	-49.98
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1	REAL300001940890	0	54	0.0	-65.03	377.95	11.11	-53.92
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1	REAL300001940890	1	54	0.0	-50.11	384.57	11.22	-38.89
CCC(C)N(CC(=O)[O-])C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001940905	0	49	0.0	-50.10	367.77	11.15	-38.95
CCC(C)N(CC(=O)[O-])C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001940905	1	49	0.0	-48.50	369.00	11.05	-37.45
CCC(C)N(CC(=O)[O-])C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001940906	0	50	0.0	-53.74	363.37	10.34	-43.40
CCC(C)N(CC(=O)[O-])C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300001940927	0	53	0.0	-47.71	362.04	8.92	-38.79
CCC(C)N(CC(=O)[O-])C(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300001940930	0	48	0.0	-34.97	357.56	10.58	-24.39
CCC(C)N(CC(=O)[O-])C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300001940930	1	48	0.0	-41.93	353.72	10.52	-31.41
CCC(C)N(CC(=O)[O-])C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300001940937	0	55	0.0	-46.45	393.58	12.72	-33.73
CCC(C)N(CC(=O)[O-])C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300001940937	1	55	0.0	-50.38	399.64	13.08	-37.30
CCC[NH+](CCC)CCCC(=O)N(CC(=O)[O-])C(C)CC	REAL300001940957	0	53	0.0	-53.68	387.90	10.98	-42.70
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300001940972	0	49	0.0	-66.05	360.11	10.78	-55.27
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001940977	0	52	0.0	-69.26	380.50	11.62	-57.64
CCC(C)N(CC(=O)[O-])C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1	REAL300001940983	0	60	0.0	-51.78	412.96	9.48	-42.30
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300001940989	1	56	0.0	-69.14	411.02	10.58	-58.56
CCC(C)N(CC(=O)[O-])C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001940999	1	53	0.0	-58.25	392.89	11.22	-47.03
CCC(C)N(CC(=O)[O-])C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001940999	1	53	0.0	-61.15	402.00	11.41	-49.74
CCC(C)N(CC(=O)[O-])C(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1	REAL300001941013	1	43	0.0	-72.45	335.73	8.24	-64.21
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001941016	0	52	0.0	-66.50	377.43	11.51	-54.99
CCC(C)N(CC(=O)[O-])C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300001941026	1	45	0.0	-67.72	345.70	9.27	-58.45
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300001941027	0	48	0.0	-72.27	358.68	10.54	-61.73
CCC(C)N(CC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001941030	1	50	0.0	-71.20	375.71	10.50	-60.70
CCC(C)N(CC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001941030	1	50	0.0	-58.64	376.80	10.59	-48.05
CCC(C)N(CC(=O)[O-])C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001941038	0	58	0.0	-43.29	416.01	12.74	-30.55
CCC(C)N(CC(=O)[O-])C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300001941063	0	48	0.0	-44.93	366.18	11.39	-33.54
CCC(C)N(CC(=O)[O-])C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300001941063	1	48	0.0	-44.53	366.02	11.41	-33.12
CCC(C)N(CC(=O)[O-])C(=O)CC[N@H+](C)CCOCCOC	REAL300001941064	0	52	0.0	-49.71	393.52	7.40	-42.31
CCC(C)N(CC(=O)[O-])C(=O)CC[N@@H+](C)CCOCCOC	REAL300001941064	1	52	0.0	-50.13	394.95	7.67	-42.46
CCC(C)N(CC(=O)[O-])C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001941070	0	57	0.0	-56.47	421.35	11.14	-45.33
CCC(C)N(CC(=O)[O-])C(=O)CCN1CC[NH+](C(C)C)CC1	REAL300001941096	0	53	0.0	-53.53	382.40	8.18	-45.35
CCC(C)N(CC(=O)[O-])C(=O)CC[NH+]1CCN(C(C)C)CC1	REAL300001941096	1	53	0.0	-47.36	378.71	7.97	-39.39
CCC(C)N(CC(=O)[O-])C(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300001941097	0	56	0.0	-59.54	402.18	8.74	-50.80
CCC(C)N(CC(=O)[O-])C(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300001941097	1	56	0.0	-52.41	400.21	8.76	-43.65
CCC(C)N(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300001941101	0	57	0.0	-50.73	421.24	11.01	-39.72
CCC(C)N(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001941102	0	54	0.0	-50.21	399.84	10.34	-39.87
CCC(C)N(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300001941105	0	51	0.0	-59.15	374.92	9.91	-49.24
CCC(C)N(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300001941105	1	51	0.0	-70.07	378.02	9.87	-60.20
CCC(C)N(CC(=O)[O-])C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001941109	1	49	0.0	-61.20	357.47	10.93	-50.27
CCC(C)N(CC(=O)[O-])C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300001941109	1	49	0.0	-40.80	350.30	10.68	-30.12
CCC(C)N(CC(=O)[O-])C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001941126	0	52	0.0	-54.38	391.92	12.25	-42.13
CCC(C)N(CC(=O)[O-])C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001941126	1	52	0.0	-54.92	391.58	12.18	-42.74
CCC(C)N(CC(=O)[O-])C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300001941136	1	46	0.0	-64.07	348.82	8.21	-55.86
CCC(C)N(CC(=O)[O-])C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300001941136	1	46	0.0	-68.94	349.43	8.26	-60.68
CCC(C)N(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300001941143	0	52	0.0	-58.97	386.40	11.74	-47.23
CCC(C)N(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300001941143	1	52	0.0	-70.78	389.52	11.70	-59.08
CCC(C)N(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300001941145	0	53	0.0	-49.22	397.57	9.76	-39.46
CCC(C)N(CC(=O)[O-])C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300001941168	0	52	0.0	-51.34	367.26	10.51	-40.83
CCC(C)N(CC(=O)[O-])C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300001941168	1	52	0.0	-64.67	368.06	10.47	-54.20
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300001941186	0	54	0.0	-70.76	397.62	9.19	-61.57
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300001941187	0	54	0.0	-70.63	396.68	9.02	-61.61
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300001941187	1	54	0.0	-66.64	394.26	9.00	-57.64
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300001941188	0	55	0.0	-67.85	397.17	10.56	-57.29
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001941241	0	56	0.0	-69.72	409.42	8.86	-60.86
CCC(C)N(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001941243	0	52	0.0	-60.34	375.66	11.82	-48.52
CCC(C)N(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001941243	1	52	0.0	-66.96	383.49	11.64	-55.32
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300001941323	1	50	0.0	-76.53	370.97	10.11	-66.42
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300001941323	1	50	0.0	-70.11	371.41	9.41	-60.70
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C[NH+](CC)CC)O1	REAL300001941361	0	48	0.0	-48.27	362.48	10.07	-38.20
CCC(C)N(CC(=O)[O-])C(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300001941363	1	51	0.0	-52.43	374.35	9.67	-42.76
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300001941366	0	57	0.0	-64.29	413.26	10.41	-53.88
CCC(C)N(CC(=O)[O-])C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300001941373	1	40	0.0	-68.55	316.19	7.56	-60.99
CCC(C)N(CC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300001941397	0	52	0.0	-52.95	383.25	11.57	-41.38
CCC(C)N(CC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300001941397	1	52	0.0	-50.17	384.53	11.74	-38.43
CCC(C)N(CC(=O)[O-])C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001941412	0	53	0.0	-68.88	407.20	11.23	-57.65
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001941424	0	49	0.0	-54.68	369.57	10.57	-44.11
CCC(C)N(CC(=O)[O-])C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300001941668	0	42	0.0	-41.46	314.44	7.93	-33.53
CCC(C)N(CC(=O)[O-])C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300001941668	1	42	0.0	-64.74	311.10	8.14	-56.60
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300001941955	0	48	0.0	-72.61	359.95	10.56	-62.05
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300001941958	0	49	0.0	-70.12	365.91	9.51	-60.61
CCC(C)N(CC(=O)[O-])C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001942018	0	55	0.0	-56.27	405.04	12.70	-43.57
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300001942020	1	53	0.0	-66.33	384.50	9.93	-56.40
CCC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300001942020	1	53	0.0	-68.09	383.60	9.87	-58.22
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001943155	0	50	0.0	-90.49	387.59	11.56	-78.93
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300001944473	0	44	0.0	-82.72	336.94	9.22	-73.50
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C(=O)[O-])C=C3C)CN21	REAL300001944492	1	42	0.0	-74.85	334.86	9.05	-65.80
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=C(C(=O)[O-])C=C3C)CC2)=CS1	REAL300001944551	1	49	0.0	-87.93	395.54	9.31	-78.62
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C(C)N1CC[NH+](C)CC1	REAL300001944552	1	45	0.0	-79.17	337.33	6.12	-73.05
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001944622	0	53	0.0	-83.82	420.49	11.06	-72.76
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300001944628	0	53	0.0	-86.43	421.43	13.40	-73.03
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300001944628	1	53	0.0	-85.73	421.42	13.41	-72.32
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300001944698	0	49	0.0	-85.56	350.46	9.85	-75.71
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300001944700	0	49	0.0	-83.88	366.14	9.96	-73.92
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300001944700	1	49	0.0	-84.17	365.15	9.94	-74.23
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300001944765	0	43	0.0	-86.44	355.63	8.95	-77.49
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300001944783	0	51	0.0	-75.53	372.18	8.44	-67.09
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C(=O)[O-])C=C1C	REAL300001944809	1	41	0.0	-78.21	337.59	9.22	-68.99
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC[NH+]1CCOCC1	REAL300001944810	1	47	0.0	-84.69	365.88	7.94	-76.75
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2C)C=C1)C(C)C	REAL300001944811	0	52	0.0	-86.85	385.05	11.08	-75.77
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2C)C=C1)C(C)C	REAL300001944811	1	52	0.0	-85.15	384.38	11.02	-74.13
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001944829	0	47	0.0	-84.47	370.16	10.72	-73.75
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001944829	1	47	0.0	-83.32	369.76	10.71	-72.61
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300001944830	0	48	0.0	-91.12	371.31	10.24	-80.88
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300001944858	0	51	0.0	-84.69	363.88	8.28	-76.41
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300001944861	0	46	0.0	-81.56	361.13	10.39	-71.17
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CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C(=O)[O-])C=C1C	REAL300001944893	0	51	0.0	-81.93	385.73	10.30	-71.63
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CN1C=C[NH+]=C1C(C)C	REAL300001944900	1	41	0.0	-75.55	332.38	9.06	-66.49
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300001944913	0	47	0.0	-88.10	369.60	10.97	-77.13
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300001944918	0	50	0.0	-81.35	386.33	11.66	-69.69
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=C(C(=O)[O-])C=C3C)CC2)CC1	REAL300001944924	0	58	0.0	-85.48	416.30	8.92	-76.56
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300001944931	1	54	0.0	-91.01	419.67	10.71	-80.30
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001944941	1	51	0.0	-92.95	395.28	10.77	-82.18
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001944941	1	51	0.0	-89.66	401.95	10.81	-78.85
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2C)C=NN1C1=CC=[NH+]C=C1	REAL300001944955	1	41	0.0	-86.74	340.76	8.18	-78.56
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300001944958	0	50	0.0	-87.97	386.34	11.68	-76.29
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300001944969	1	43	0.0	-84.00	350.02	8.42	-75.58
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300001944970	0	46	0.0	-89.27	367.28	10.68	-78.59
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300001944975	1	48	0.0	-89.27	373.35	10.09	-79.18
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300001944975	1	48	0.0	-86.48	374.14	10.08	-76.40
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001944984	0	56	0.0	-78.99	419.37	12.78	-66.21
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300001945016	0	46	0.0	-85.68	365.78	10.77	-74.91
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300001945016	1	46	0.0	-85.23	366.86	10.80	-74.43
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(C(=O)[O-])C=C1C	REAL300001945017	0	50	0.0	-83.69	394.71	6.94	-76.75
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(C(=O)[O-])C=C1C	REAL300001945017	1	50	0.0	-84.28	395.91	6.98	-77.30
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300001945020	0	44	0.0	-76.39	327.01	6.37	-70.02
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300001945020	1	44	0.0	-81.30	324.71	6.52	-74.78
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001945025	0	55	0.0	-87.41	421.91	10.50	-76.91
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1C	REAL300001945027	0	48	0.0	-83.18	370.46	10.09	-73.09
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1C	REAL300001945027	1	48	0.0	-83.23	370.45	10.10	-73.13
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C[N@@H+](C)C1CCSC1	REAL300001945051	0	41	0.0	-86.75	327.21	8.60	-78.15
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C[N@H+](C)C1CCSC1	REAL300001945051	1	41	0.0	-85.84	327.00	8.62	-77.22
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCN1CC[NH+](C(C)C)CC1	REAL300001945061	0	51	0.0	-81.36	376.95	7.13	-74.23
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC[NH+]1CCN(C(C)C)CC1	REAL300001945061	1	51	0.0	-83.96	378.47	7.30	-76.66
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300001945062	0	54	0.0	-77.61	404.57	8.34	-69.27
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300001945062	1	54	0.0	-82.78	400.96	8.13	-74.65
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300001945063	0	44	0.0	-77.37	323.65	8.88	-68.49
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCCC2CCC[N@H+]21	REAL300001945063	1	44	0.0	-73.04	331.76	9.14	-63.90
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300001945065	0	43	0.0	-87.21	350.93	7.81	-79.40
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=CC=C(C(=O)[O-])C=C3C)CC2)=C1	REAL300001945068	0	55	0.0	-88.40	420.83	10.33	-78.07
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300001945070	0	52	0.0	-88.64	398.91	9.63	-79.01
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300001945073	0	49	0.0	-85.26	376.20	9.93	-75.33
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300001945073	1	49	0.0	-81.49	376.70	9.86	-71.63
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001945078	1	47	0.0	-81.43	365.65	10.71	-70.72
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300001945078	1	47	0.0	-81.65	362.47	10.89	-70.76
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300001945099	0	50	0.0	-87.55	392.22	11.53	-76.02
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300001945099	1	50	0.0	-87.28	392.28	11.53	-75.75
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300001945111	0	43	0.0	-91.22	351.33	7.83	-83.39
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300001945112	0	43	0.0	-71.43	346.84	7.83	-63.60
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1C	REAL300001945113	1	44	0.0	-75.26	353.68	9.58	-65.68
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300001945116	1	44	0.0	-85.64	352.41	7.38	-78.26
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300001945116	1	44	0.0	-85.49	352.85	7.36	-78.13
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300001945125	0	50	0.0	-85.23	389.22	11.83	-73.40
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300001945125	1	50	0.0	-81.00	388.24	11.78	-69.22
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C(C)C[NH+]1CCOCC1	REAL300001945129	0	44	0.0	-82.94	338.80	7.09	-75.85
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300001945130	0	51	0.0	-88.25	397.27	9.09	-79.16
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1	REAL300001945167	1	50	0.0	-92.81	388.30	9.89	-82.92
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300001945168	0	50	0.0	-80.52	372.09	10.25	-70.27
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300001945168	1	50	0.0	-82.59	372.89	10.22	-72.37
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300001945184	0	44	0.0	-75.02	333.84	9.22	-65.80
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC2CCCC[N@H+]21	REAL300001945184	1	44	0.0	-75.14	334.18	9.21	-65.93
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300001945198	0	52	0.0	-78.00	403.40	9.23	-68.77
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300001945199	0	52	0.0	-84.88	402.53	9.07	-75.81
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300001945199	1	52	0.0	-88.94	402.87	9.13	-79.81
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2C)C=C1	REAL300001945200	0	53	0.0	-84.45	409.64	10.97	-73.48
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[NH+](C(C)C)CC1	REAL300001945206	0	46	0.0	-83.59	345.39	9.17	-74.42
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300001945289	0	54	0.0	-90.57	418.03	8.99	-81.58
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300001945293	0	43	0.0	-82.17	344.77	9.80	-72.37
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300001945294	0	50	0.0	-79.19	381.75	11.71	-67.48
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300001945294	1	50	0.0	-79.23	381.33	11.70	-67.53
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300001945338	0	42	0.0	-86.14	336.76	9.17	-76.97
CC[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300001945341	0	48	0.0	-82.61	364.16	6.85	-75.76
CCN1CC[NH+](CCC(=O)NC2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300001945341	1	48	0.0	-83.53	366.34	7.02	-76.51
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCN1C=C[NH+]=C1C(C)C	REAL300001945348	1	44	0.0	-74.98	353.14	9.52	-65.46
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C(C)[NH+]1CCCCCC1	REAL300001945374	0	46	0.0	-77.72	332.58	9.03	-68.69
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300001945402	1	48	0.0	-85.77	379.56	10.24	-75.53
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300001945402	1	48	0.0	-85.64	379.80	10.23	-75.41
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2C)O1	REAL300001945442	0	46	0.0	-83.75	366.30	9.51	-74.24
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC[NH+]1CCCC1	REAL300001945443	0	46	0.0	-81.33	358.94	9.67	-71.66
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(C(=O)[O-])C=C3C)CC2)[NH+]=C1	REAL300001945444	1	49	0.0	-79.73	380.41	9.38	-70.35
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300001945445	1	43	0.0	-86.87	343.38	9.93	-76.94
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300001945445	1	43	0.0	-86.89	343.44	9.94	-76.95
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300001945448	0	55	0.0	-86.83	412.78	10.17	-76.66
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300001945480	1	39	0.0	-85.38	324.69	7.29	-78.09
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300001945486	0	50	0.0	-84.46	388.66	11.41	-73.05
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300001945486	1	50	0.0	-87.45	392.34	11.40	-76.05
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300001945504	0	51	0.0	-86.58	410.08	10.82	-75.76
CC1=CC(C(=O)[O-])=CC=C1NC(=O)COC1CC[NH+](C)CC1	REAL300001945515	0	44	0.0	-86.45	347.68	8.36	-78.09
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300001945519	0	47	0.0	-85.45	372.77	10.00	-75.45
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2C)C1	REAL300001945652	0	46	0.0	-80.41	350.23	9.34	-71.07
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2C)C1	REAL300001945652	1	46	0.0	-74.45	344.38	9.54	-64.91
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C[NH+]1CCC(CO)CC1	REAL300001945680	1	44	0.0	-83.10	341.49	5.53	-77.57
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300001945845	0	46	0.0	-78.71	345.28	9.11	-69.60
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@H+](C(C)C)C1	REAL300001945845	1	46	0.0	-78.83	345.82	9.10	-69.73
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300001945846	0	40	0.0	-85.72	330.12	8.16	-77.56
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300001945846	1	40	0.0	-91.28	330.68	8.07	-83.21
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2C)N1	REAL300001945870	1	41	0.0	-76.18	337.96	7.65	-68.53
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300001946219	0	46	0.0	-82.63	367.26	10.65	-71.98
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300001946224	0	47	0.0	-86.24	374.41	9.60	-76.64
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300001946306	0	53	0.0	-82.59	407.42	12.31	-70.28
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300001946308	1	51	0.0	-90.44	392.14	9.99	-80.45
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300001946308	1	51	0.0	-90.61	392.18	9.98	-80.63
CC1=CC(C(=O)[O-])=CC=C1NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300001946332	0	46	0.0	-75.89	338.69	8.99	-66.90
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(C(=O)[O-])C=C3C)=CN21	REAL300001946337	0	38	0.0	-76.99	318.23	9.61	-67.38
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@@H+](CC(C)C)C1	REAL300001946380	0	49	0.0	-80.71	367.22	10.05	-70.66
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@H+](CC(C)C)C1	REAL300001946380	1	49	0.0	-79.93	368.21	10.02	-69.91
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300001946385	1	40	0.0	-86.52	331.19	8.13	-78.39
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300001946392	1	42	0.0	-77.81	324.02	8.97	-68.84
CC1=CC(C(=O)[O-])=CC=C1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300001946392	1	42	0.0	-80.40	323.61	9.31	-71.09
COC1=C(Cl)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001946457	1	41	0.0	-49.94	338.75	7.38	-42.56
COC1=C(Cl)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001946457	1	41	0.0	-48.18	333.26	7.40	-40.78
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCCCCCC2)C1	REAL300001946533	0	52	0.0	-44.17	353.67	8.13	-36.04
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCCCCCC2)C1	REAL300001946533	1	52	0.0	-46.76	354.63	8.72	-38.04
CCCN(CCC1=CC=CC(F)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001946657	0	52	0.0	-46.27	397.20	11.57	-34.70
CCCN(CCC1=CC=CC(F)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001946657	1	52	0.0	-45.44	396.00	11.54	-33.90
CCC(CC1=CC=CC=C1)N(CC)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001946776	0	55	0.0	-46.06	402.03	12.71	-33.35
CCC(CC1=CC=CC=C1)N(CC)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001946776	1	55	0.0	-46.37	401.91	12.72	-33.65
CC(CC1=CC=CC(Br)=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001946964	0	46	0.0	-47.86	377.06	9.82	-38.04
CC(CC1=CC=CC(Br)=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001946964	1	46	0.0	-45.97	371.65	9.83	-36.14
CC(C)(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300001947103	0	52	0.0	-48.96	379.43	9.59	-39.37
CC(C)(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300001947103	1	52	0.0	-54.14	387.35	10.58	-43.56
CCC1(CC)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1OC	REAL300001947208	0	53	0.0	-46.89	383.55	7.61	-39.28
CCC1(CC)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1OC	REAL300001947208	1	53	0.0	-44.30	375.48	8.03	-36.27
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(Br)C=C2Cl)C1	REAL300001947322	0	40	0.0	-48.82	352.39	8.50	-40.32
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(Br)C=C2Cl)C1	REAL300001947322	1	40	0.0	-47.83	346.21	8.43	-39.40
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(SC3=CC=CC=C3)CCCC2)C1	REAL300001947485	0	54	0.0	-47.58	407.72	10.83	-36.75
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(SC3=CC=CC=C3)CCCC2)C1	REAL300001947485	1	54	0.0	-45.40	400.85	10.92	-34.48
CC(C)CC1CCCCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001947699	0	55	0.0	-45.22	380.38	11.00	-34.22
CC(C)CC1CCCCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001947699	1	55	0.0	-46.35	378.84	10.86	-35.49
CC1(C)CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300001947811	0	51	0.0	-48.60	371.36	7.97	-40.63
CC1(C)CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300001947811	1	51	0.0	-48.65	371.85	8.40	-40.25
CC(C)SC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001947928	1	47	0.0	-45.33	357.88	9.36	-35.97
CC(C)SC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001947928	1	47	0.0	-45.83	360.42	9.85	-35.98
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC3(CCCC3)C2)C1	REAL300001948008	0	48	0.0	-48.26	346.57	7.65	-40.61
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC3(CCCC3)C2)C1	REAL300001948008	1	48	0.0	-47.69	345.74	7.63	-40.06
COC1=CC=CC=C1C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001948118	0	51	0.0	-45.87	378.39	9.17	-36.70
COC1=CC=CC=C1C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001948118	1	51	0.0	-45.41	377.96	9.14	-36.27
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(C3=CC=CO3)=CC=C2F)C1	REAL300001948293	1	44	0.0	-51.08	349.28	9.13	-41.95
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(C3=CC=CO3)=CC=C2F)C1	REAL300001948293	1	44	0.0	-50.87	354.77	9.11	-41.76
CCOC1CC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300001948413	0	53	0.0	-44.92	376.00	8.32	-36.60
CCOC1CC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300001948413	1	53	0.0	-46.82	377.03	8.74	-38.08
CC(C)CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001948552	0	52	0.0	-49.45	398.71	10.63	-38.82
CC(C)CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001948552	1	52	0.0	-48.20	393.26	10.66	-37.54
CC1=CC=C(OC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)N=N1	REAL300001948692	0	49	0.0	-56.52	387.91	7.00	-49.52
CC1=CC=C(OC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)N=N1	REAL300001948692	1	49	0.0	-57.70	393.37	6.98	-50.72
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2)C2CC2)C1	REAL300001948782	0	47	0.0	-45.77	344.81	10.51	-35.26
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2)C2CC2)C1	REAL300001948782	1	47	0.0	-45.40	355.95	10.72	-34.68
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC3(CCC4=CC=CC=C43)C2)C1	REAL300001948895	0	52	0.0	-47.03	376.33	9.29	-37.74
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC3(CCC4=CC=CC=C43)C2)C1	REAL300001948895	1	52	0.0	-51.35	380.55	9.99	-41.36
O=C([O-])C1CCC[N@H+](CC(=O)N2CC=C(C(F)(F)F)CC2)C1	REAL300001949057	0	41	0.0	-52.26	324.79	8.41	-43.85
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC=C(C(F)(F)F)CC2)C1	REAL300001949057	1	41	0.0	-51.02	324.92	8.41	-42.61
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC2=CC=CC=C2)C(F)(F)F)C1	REAL300001949180	1	46	0.0	-50.15	365.34	9.52	-40.63
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC2=CC=CC=C2)C(F)(F)F)C1	REAL300001949180	1	46	0.0	-50.28	370.90	9.50	-40.78
CC(C)CC1CCCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001949267	0	52	0.0	-45.28	365.77	10.00	-35.28
CC(C)CC1CCCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001949267	1	52	0.0	-45.96	362.65	9.94	-36.02
COC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC2CCCC2)=C1	REAL300001949367	0	58	0.0	-48.40	433.01	8.94	-39.46
COC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC2CCCC2)=C1	REAL300001949367	1	58	0.0	-45.65	431.06	8.49	-37.16
O=C([O-])C1CCC[N@H+](CC(=O)NCC(CC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001949531	0	56	0.0	-48.77	432.62	12.27	-36.50
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(CC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001949531	1	56	0.0	-48.47	432.02	12.25	-36.22
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C2=CC=CC=C2)CO1	REAL300001949644	0	51	0.0	-47.93	372.08	9.33	-38.60
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C2=CC=CC=C2)CO1	REAL300001949644	1	51	0.0	-48.73	373.12	9.33	-39.40
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC=C1Br	REAL300001949747	0	47	0.0	-49.40	378.74	8.26	-41.14
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC=C1Br	REAL300001949747	1	47	0.0	-49.18	384.65	8.34	-40.84
CCOC1CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C12CCCCC2	REAL300001949857	0	57	0.0	-44.95	404.75	8.76	-36.19
CCOC1CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C12CCCCC2	REAL300001949857	1	57	0.0	-48.79	404.99	9.34	-39.45
COC1=CC(OC)=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300001949974	1	45	0.0	-52.67	354.49	6.09	-46.58
COC1=CC(OC)=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300001949974	1	45	0.0	-53.31	349.02	6.11	-47.20
CC1CC1C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001950199	0	50	0.0	-46.92	390.34	10.45	-36.47
CC1CC1C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300001950199	1	50	0.0	-49.38	390.99	10.93	-38.45
CCC(CC1=CC=C(C)C=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001950306	0	55	0.0	-43.39	404.97	12.37	-31.02
CCC(CC1=CC=C(C)C=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001950306	1	55	0.0	-47.20	412.51	12.83	-34.37
CN(CCC(=O)OC(C)(C)C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001950417	0	51	0.0	-50.16	385.37	9.27	-40.89
CN(CCC(=O)OC(C)(C)C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001950417	1	51	0.0	-50.77	385.26	9.29	-41.48
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300001950523	0	43	0.0	-52.30	338.21	7.64	-44.66
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCOC2=C1	REAL300001950523	1	43	0.0	-53.73	339.36	7.66	-46.07
O=C([O-])C1CCC[N@H+](CC(=O)N2CCSC3CCCCC32)C1	REAL300001950633	0	48	0.0	-49.05	350.10	9.69	-39.36
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCSC3CCCCC32)C1	REAL300001950633	1	48	0.0	-48.27	343.90	9.68	-38.59
COC1=CC=C(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001950751	0	44	0.0	-51.79	357.66	8.82	-42.97
COC1=CC=C(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300001950751	1	44	0.0	-52.04	358.86	8.87	-43.17
CC1=CC=C(C)C(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001950866	0	53	0.0	-49.22	387.98	12.01	-37.21
CC1=CC=C(C)C(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001950866	1	53	0.0	-48.22	394.42	12.00	-36.22
O=C([O-])C1CCC[N@H+](CC(=O)N2CCSC3(CCCCC3)C2)C1	REAL300001950983	0	51	0.0	-49.10	363.41	10.48	-38.62
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCSC3(CCCCC3)C2)C1	REAL300001950983	1	51	0.0	-48.42	363.58	10.49	-37.93
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001951099	0	52	0.0	-45.85	396.46	11.62	-34.23
CC(C1=CC=C(Cl)C=C1)C(C)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001951099	1	52	0.0	-48.68	397.27	12.08	-36.60
CC1=CC=CC2=C1N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300001951160	0	44	0.0	-49.16	321.55	9.95	-39.21
CC1=CC=CC2=C1N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300001951160	1	44	0.0	-45.65	319.63	9.48	-36.17
COCCN(CC1=CC=C(C)O1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001951248	0	50	0.0	-48.83	388.36	8.54	-40.29
COCCN(CC1=CC=C(C)O1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001951248	1	50	0.0	-48.50	382.81	8.56	-39.94
CCOC1=CC(Cl)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001951351	1	44	0.0	-46.62	350.26	7.75	-38.87
CCOC1=CC(Cl)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001951351	1	44	0.0	-47.15	351.06	8.20	-38.95
CC1=CC=CC=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001951422	0	46	0.0	-49.96	347.33	8.63	-41.33
CC1=CC=CC=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001951422	1	46	0.0	-46.71	345.46	8.19	-38.52
CC12CC(CC(C)(C)C1)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300001951517	0	53	0.0	-46.21	368.61	10.60	-35.61
CC12CC(CC(C)(C)C1)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300001951517	1	53	0.0	-41.68	367.56	10.10	-31.58
CCC1=CC=CC(C)=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001951583	0	46	0.0	-46.46	347.05	9.35	-37.11
CCC1=CC=CC(C)=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001951583	1	46	0.0	-48.98	345.02	9.83	-39.15
COC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001951667	0	44	0.0	-48.17	340.00	6.70	-41.47
COC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001951667	1	44	0.0	-46.89	338.09	6.26	-40.63
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(Cl)C=C2Cl)C1	REAL300001951826	0	43	0.0	-50.82	367.51	9.07	-41.75
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(Cl)C=C2Cl)C1	REAL300001951826	1	43	0.0	-51.32	361.35	9.05	-42.27
CC1=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=CC=C1[N+](=O)[O-]	REAL300001951937	1	42	0.0	-56.16	329.96	8.64	-47.52
CC1=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=CC=C1[N+](=O)[O-]	REAL300001951937	1	42	0.0	-54.53	326.05	8.71	-45.82
COC1=CC=C(C(C)(C)C)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001952037	1	53	0.0	-47.27	394.92	9.03	-38.24
COC1=CC=C(C(C)(C)C)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001952037	1	53	0.0	-46.74	388.65	9.07	-37.67
CCCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001952306	0	49	0.0	-44.10	368.26	10.92	-33.18
CCCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300001952306	1	49	0.0	-42.86	377.11	11.41	-31.45
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(C(F)(F)F)=C2)C1	REAL300001952419	0	43	0.0	-50.32	355.44	8.42	-41.90
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(C(F)(F)F)=C2)C1	REAL300001952419	1	43	0.0	-47.83	349.55	8.41	-39.42
CCOC1=CC=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001952550	0	54	0.0	-53.32	408.23	9.59	-43.73
CCOC1=CC=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001952550	1	54	0.0	-52.71	415.00	9.63	-43.08
COC1=CC=CC=C1OCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001952677	0	48	0.0	-49.98	375.21	6.91	-43.07
COC1=CC=CC=C1OCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001952677	1	48	0.0	-50.06	375.85	6.93	-43.13
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300001952787	0	43	0.0	-50.01	339.92	8.32	-41.69
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300001952787	1	43	0.0	-48.65	334.49	8.35	-40.30
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001952885	0	50	0.0	-42.45	387.53	12.89	-29.56
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001952885	1	50	0.0	-42.35	385.82	12.43	-29.92
COC1=CC=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001953003	0	51	0.0	-52.22	386.36	8.67	-43.55
COC1=CC=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001953003	1	51	0.0	-48.83	384.94	8.21	-40.62
COC1=CC=CC=C1C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001953119	0	47	0.0	-50.57	355.39	7.71	-42.86
COC1=CC=CC=C1C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001953119	1	47	0.0	-49.59	355.38	7.68	-41.91
CN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001953242	0	43	0.0	-48.81	365.16	10.44	-38.37
CN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001953242	1	43	0.0	-51.25	366.33	10.48	-40.77
COCC1=C(Br)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001953386	1	44	0.0	-50.69	359.46	7.73	-42.96
COCC1=C(Br)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001953386	1	44	0.0	-49.22	354.03	7.74	-41.48
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2NCC(F)(F)F)C1	REAL300001953562	0	45	0.0	-49.54	357.75	7.67	-41.87
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2NCC(F)(F)F)C1	REAL300001953562	1	45	0.0	-47.91	356.93	7.22	-40.69
CC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001953694	0	43	0.0	-45.37	341.53	8.15	-37.22
CC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300001953694	1	43	0.0	-46.01	341.58	8.15	-37.86
COC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1C	REAL300001953790	0	47	0.0	-48.09	360.07	7.45	-40.64
COC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1C	REAL300001953790	1	47	0.0	-49.75	366.28	7.47	-42.28
CC(C)(C)OC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001953947	0	53	0.0	-47.43	377.85	8.66	-38.77
CC(C)(C)OC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001953947	1	53	0.0	-48.30	383.79	8.67	-39.63
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3CCCC3)C(Cl)=C2)C1	REAL300001954064	0	51	0.0	-54.95	395.19	10.08	-44.87
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3CCCC3)C(Cl)=C2)C1	REAL300001954064	1	51	0.0	-53.55	400.65	10.05	-43.50
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3=C(Cl)C=CC=C32)C1	REAL300001954186	0	44	0.0	-48.45	348.81	9.16	-39.29
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3=C(Cl)C=CC=C32)C1	REAL300001954186	1	44	0.0	-49.87	354.29	9.13	-40.74
CCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCC2=CC=CC=C2C1	REAL300001954303	0	56	0.0	-46.44	403.69	12.67	-33.77
CCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCC2=CC=CC=C2C1	REAL300001954303	1	56	0.0	-47.54	409.91	12.69	-34.85
CC1=CC=C2C(=C1)CCC2NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001954394	0	47	0.0	-47.93	360.75	9.33	-38.60
CC1=CC=C2C(=C1)CCC2NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001954394	1	47	0.0	-49.51	359.40	9.29	-40.22
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC3=CC=CC=C3C2)C1	REAL300001954488	0	45	0.0	-50.13	341.63	8.63	-41.50
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC3=CC=CC=C3C2)C1	REAL300001954488	1	45	0.0	-49.03	341.74	8.62	-40.41
CCOC1=C(Cl)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001954661	1	44	0.0	-49.91	360.59	8.34	-41.57
CCOC1=C(Cl)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001954661	1	44	0.0	-47.79	354.30	8.37	-39.42
CC1=CC=CC=C1C1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300001954776	0	57	0.0	-48.25	397.19	8.77	-39.48
CC1=CC=CC=C1C1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300001954776	1	57	0.0	-49.35	403.33	8.81	-40.54
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC(Cl)=C3)CCCC2)C1	REAL300001954900	0	53	0.0	-49.17	406.40	11.57	-37.60
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC(Cl)=C3)CCCC2)C1	REAL300001954900	1	53	0.0	-47.14	401.30	11.54	-35.60
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=C(Cl)C=C3)CCCC2)C1	REAL300001955022	0	53	0.0	-48.71	407.54	11.51	-37.20
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=C(Cl)C=C3)CCCC2)C1	REAL300001955022	1	53	0.0	-46.57	400.26	11.54	-35.03
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCOC3=CC=C(F)C=C32)C1	REAL300001955245	0	48	0.0	-47.52	366.92	9.06	-38.46
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCOC3=CC=C(F)C=C32)C1	REAL300001955245	1	48	0.0	-51.25	368.66	8.51	-42.74
CCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC2=CC=CC=C2O1	REAL300001955364	0	55	0.0	-47.77	411.58	13.23	-34.54
CCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC2=CC=CC=C2O1	REAL300001955364	1	55	0.0	-44.91	405.70	11.60	-33.31
CC1=CC=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001955540	0	46	0.0	-46.46	355.09	10.15	-36.31
CC1=CC=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001955540	1	46	0.0	-44.03	347.94	9.70	-34.33
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(COC3=CC=CC=C3)CC2)C1	REAL300001955649	0	54	0.0	-45.60	397.06	10.29	-35.31
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(COC3=CC=CC=C3)CC2)C1	REAL300001955649	1	54	0.0	-48.11	404.54	10.75	-37.36
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC1C1=CC=CC=C1	REAL300001955811	0	50	0.0	-46.14	377.62	9.81	-36.33
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC1C1=CC=CC=C1	REAL300001955811	1	50	0.0	-44.48	372.93	10.29	-34.19
CCCCC1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001956064	0	55	0.0	-46.65	401.21	9.89	-36.76
CCCCC1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001956064	1	55	0.0	-47.10	396.69	10.32	-36.78
O=C([O-])C1CCC[N@H+](CC(=O)N(CCC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001956174	0	53	0.0	-42.79	409.95	13.68	-29.11
O=C([O-])C1CCC[N@@H+](CC(=O)N(CCC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001956174	1	53	0.0	-42.72	409.53	13.25	-29.47
CCS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001956293	0	51	0.0	-54.10	388.77	4.43	-49.67
CCS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001956293	1	51	0.0	-58.81	395.93	4.45	-54.36
CC1=C(C)C2=CC(C)=CC(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2N1	REAL300001956418	0	53	0.0	-47.58	404.62	9.25	-38.33
CC1=C(C)C2=CC(C)=CC(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2N1	REAL300001956418	1	53	0.0	-50.02	410.80	9.27	-40.75
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCOCC1CCCO1	REAL300001956537	0	48	0.0	-49.46	369.62	4.86	-44.60
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCOCC1CCCO1	REAL300001956537	1	48	0.0	-49.22	368.68	4.88	-44.34
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC(C)S1	REAL300001956627	0	44	0.0	-49.31	330.01	8.65	-40.66
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC(C)S1	REAL300001956627	1	44	0.0	-49.42	336.70	8.68	-40.74
CC1=CC=CC=C1C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)(C)C	REAL300001956717	0	55	0.0	-45.45	386.67	10.08	-35.37
CC1=CC=CC=C1C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)(C)C	REAL300001956717	1	55	0.0	-47.25	382.77	10.34	-36.91
O=C([O-])C1CCC[N@H+](CC(=O)NCC2SCCC3=CC=CC=C32)C1	REAL300001956835	0	48	0.0	-48.14	373.29	9.57	-38.57
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2SCCC3=CC=CC=C32)C1	REAL300001956835	1	48	0.0	-47.51	372.56	9.55	-37.96
CCC1=CC=C(C(C)(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001956952	0	52	0.0	-47.21	385.25	10.12	-37.09
CCC1=CC=C(C(C)(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001956952	1	52	0.0	-46.81	379.77	10.16	-36.65
CC1(C)CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=C(F)C=C2O1	REAL300001957069	0	51	0.0	-50.55	377.70	8.03	-42.52
CC1(C)CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=C(F)C=C2O1	REAL300001957069	1	51	0.0	-51.49	378.49	8.48	-43.01
COC1=CC(C)=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001957184	0	47	0.0	-47.35	360.35	7.41	-39.94
COC1=CC(C)=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001957184	1	47	0.0	-47.49	366.55	7.43	-40.06
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1=CC=CC=C1OC1CCOC1	REAL300001957292	1	49	0.0	-48.13	370.01	7.13	-41.00
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1=CC=CC=C1OC1CCOC1	REAL300001957292	1	49	0.0	-47.14	368.17	6.64	-40.50
CCSC1CCCCC1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001957394	0	50	0.0	-43.68	369.99	9.15	-34.53
CCSC1CCCCC1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001957394	1	50	0.0	-45.05	375.25	9.21	-35.84
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(OCCF)=C2)C1	REAL300001957496	0	44	0.0	-51.11	342.41	7.70	-43.41
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(OCCF)=C2)C1	REAL300001957496	1	44	0.0	-53.83	347.89	7.67	-46.16
CC1=CC=CC(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)(C)C)=C1	REAL300001957605	0	55	0.0	-47.41	398.56	10.58	-36.83
CC1=CC=CC(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)(C)C)=C1	REAL300001957605	1	55	0.0	-48.37	399.76	10.61	-37.76
CS(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001957722	0	45	0.0	-58.05	349.42	4.01	-54.04
CS(=O)(=O)N1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001957722	1	45	0.0	-54.57	341.95	3.55	-51.02
CC1=CC=CC(OCCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001957846	0	50	0.0	-50.16	388.94	8.43	-41.73
CC1=CC=CC(OCCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001957846	1	50	0.0	-50.80	389.58	8.45	-42.35
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2OC(F)(F)F)C1	REAL300001957961	1	41	0.0	-45.87	329.84	7.23	-38.64
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2OC(F)(F)F)C1	REAL300001957961	1	41	0.0	-46.91	328.17	6.80	-40.11
COC1=CC=C2C(=C1)CCCN2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001958127	0	48	0.0	-52.57	350.75	9.22	-43.35
COC1=CC=C2C(=C1)CCCN2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001958127	1	48	0.0	-52.02	357.43	9.25	-42.77
O=C([O-])C1CCC[N@H+](CC(=O)NCCCCC2=CC=CC=C2)C1	REAL300001958231	0	49	0.0	-49.66	381.20	9.75	-39.91
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCCC2=CC=CC=C2)C1	REAL300001958231	1	49	0.0	-49.45	374.99	9.73	-39.72
CCOC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001958383	0	50	0.0	-49.66	384.87	8.48	-41.18
CCOC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001958383	1	50	0.0	-50.19	379.40	8.52	-41.67
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300001958559	0	44	0.0	-47.34	354.59	6.75	-40.59
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300001958559	1	44	0.0	-48.53	356.49	7.20	-41.33
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2OC(F)F)C1	REAL300001958687	0	44	0.0	-47.45	346.77	6.58	-40.87
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2OC(F)F)C1	REAL300001958687	1	44	0.0	-49.00	348.69	7.02	-41.98
COC1=CC2=C(C=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC(C)C2	REAL300001958883	0	52	0.0	-48.58	395.93	7.33	-41.25
COC1=CC2=C(C=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC(C)C2	REAL300001958883	1	52	0.0	-49.46	402.18	7.36	-42.10
COC1=CC=C(Br)C=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001959099	0	44	0.0	-47.18	360.22	7.35	-39.83
COC1=CC=C(Br)C=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001959099	1	44	0.0	-48.40	366.98	7.39	-41.01
CCOC1=CC2=C(C=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC(C)C2	REAL300001959219	0	55	0.0	-48.27	417.77	8.27	-40.00
CCOC1=CC2=C(C=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC(C)C2	REAL300001959219	1	55	0.0	-48.84	423.99	8.29	-40.55
CC1=CC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C2N1	REAL300001959313	0	44	0.0	-48.84	337.33	7.47	-41.37
CC1=CC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C2N1	REAL300001959313	1	44	0.0	-51.08	337.87	7.93	-43.15
CN(CCC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001959384	0	46	0.0	-47.83	356.14	10.25	-37.58
CN(CCC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001959384	1	46	0.0	-48.50	356.29	10.28	-38.22
CC1=C(Br)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001959490	0	40	0.0	-50.64	325.84	8.66	-41.98
CC1=C(Br)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001959490	1	40	0.0	-49.22	320.37	8.69	-40.53
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300001959610	0	42	0.0	-51.56	338.45	8.17	-43.39
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300001959610	1	42	0.0	-53.64	332.24	8.16	-45.48
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2SC(F)(F)F)C1	REAL300001959721	1	41	0.0	-46.96	338.99	8.92	-38.04
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2SC(F)(F)F)C1	REAL300001959721	1	41	0.0	-47.49	337.24	8.45	-39.04
CC(C)SC1=C(Cl)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001959838	1	47	0.0	-49.58	385.08	10.69	-38.89
CC(C)SC1=C(Cl)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001959838	1	47	0.0	-47.63	378.98	10.68	-36.95
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300001959940	0	42	0.0	-55.59	344.92	8.09	-47.50
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300001959940	1	42	0.0	-52.01	338.71	8.07	-43.94
CC(C)OC1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001960058	0	50	0.0	-47.16	378.73	8.30	-38.86
CC(C)OC1=CC=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001960058	1	50	0.0	-46.76	384.93	8.31	-38.45
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(F)=C(F)C(F)=C2)C1	REAL300001960210	1	37	0.0	-53.12	302.26	7.03	-46.09
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(F)=C(F)C(F)=C2)C1	REAL300001960210	1	37	0.0	-55.72	303.56	7.51	-48.21
O=C([O-])C1CCC[N@H+](CC(=O)N2CCSCC2C2=CC=CC=C2)C1	REAL300001960313	0	48	0.0	-45.41	356.82	10.17	-35.24
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCSCC2C2=CC=CC=C2)C1	REAL300001960313	1	48	0.0	-49.78	358.14	10.64	-39.14
CC(C)N(CC1=CC=CO1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001960388	0	46	0.0	-47.12	348.11	9.02	-38.10
CC(C)N(CC1=CC=CO1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001960388	1	46	0.0	-45.83	343.37	9.05	-36.78
CC(C1=CC=CC=C1F)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001960475	0	46	0.0	-47.75	352.85	9.86	-37.89
CC(C1=CC=CC=C1F)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001960475	1	46	0.0	-47.61	353.80	9.87	-37.74
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C2C=CC=C3[N+](=O)[O-])C1	REAL300001960574	0	43	0.0	-55.36	337.15	9.77	-45.59
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C2C=CC=C3[N+](=O)[O-])C1	REAL300001960574	1	43	0.0	-55.36	330.95	9.75	-45.61
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(Cl)C=CC=C32)C1	REAL300001960729	0	41	0.0	-47.37	327.52	9.68	-37.69
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(Cl)C=CC=C32)C1	REAL300001960729	1	41	0.0	-47.02	321.32	9.66	-37.36
CC(C)CC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC1	REAL300001960813	0	52	0.0	-46.59	364.34	9.08	-37.51
CC(C)CC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC1	REAL300001960813	1	52	0.0	-47.19	370.23	9.11	-38.08
COC1=CC=C(F)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001960897	1	41	0.0	-49.76	324.52	6.71	-43.05
COC1=CC=C(F)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001960897	1	41	0.0	-49.42	319.88	6.73	-42.69
CC1=CC=C(C2COCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)O1	REAL300001960994	0	48	0.0	-50.11	356.55	8.55	-41.56
CC1=CC=C(C2COCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)O1	REAL300001960994	1	48	0.0	-50.05	362.51	8.57	-41.48
CN(CCCC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001961102	0	49	0.0	-47.46	377.63	11.03	-36.43
CN(CCCC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001961102	1	49	0.0	-48.32	371.71	11.20	-37.12
CC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001961177	0	46	0.0	-49.76	353.40	8.85	-40.91
CC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001961177	1	46	0.0	-46.49	351.49	8.40	-38.09
CC(C)CCOC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001961273	0	53	0.0	-49.27	390.38	8.82	-40.45
CC(C)CCOC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001961273	1	53	0.0	-48.70	396.22	8.84	-39.86
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCS(=O)(=O)CC1	REAL300001961380	0	46	0.0	-57.48	352.64	4.92	-52.56
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCS(=O)(=O)CC1	REAL300001961380	1	46	0.0	-58.15	352.50	4.94	-53.21
CC1=CC=NC(C2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300001961494	0	48	0.0	-55.24	380.99	9.21	-46.03
CC1=CC=NC(C2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300001961494	1	48	0.0	-57.38	375.50	9.24	-48.14
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC=CC=C1	REAL300001961603	0	49	0.0	-48.80	372.09	9.54	-39.26
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC=CC=C1	REAL300001961603	1	49	0.0	-49.65	373.26	9.57	-40.08
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC(C1=CC=CC=C1)C1CCOCC1	REAL300001961851	0	54	0.0	-50.16	391.88	8.81	-41.35
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC(C1=CC=CC=C1)C1CCOCC1	REAL300001961851	1	54	0.0	-49.53	397.37	8.78	-40.75
CCC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCS1	REAL300001961941	0	44	0.0	-48.47	335.03	8.70	-39.77
CCC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCS1	REAL300001961941	1	44	0.0	-45.21	327.51	8.24	-36.97
CC1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCS1	REAL300001961992	0	44	0.0	-48.59	331.32	8.87	-39.72
CC1(C)CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCS1	REAL300001961992	1	44	0.0	-49.28	331.99	8.89	-40.39
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCC(C)(C)CC1	REAL300001962049	0	52	0.0	-45.83	366.78	9.76	-36.07
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCC(C)(C)CC1	REAL300001962049	1	52	0.0	-46.86	360.56	9.79	-37.07
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1=CC=CC(CSC2CCOCC2)=C1	REAL300001962169	0	55	0.0	-51.49	423.43	10.23	-41.26
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1=CC=CC(CSC2CCOCC2)=C1	REAL300001962169	1	55	0.0	-51.75	428.92	10.21	-41.54
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3(CCCC3)C3=CC=CC=C32)C1	REAL300001962335	0	51	0.0	-41.17	365.02	10.89	-30.28
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3(CCCC3)C3=CC=CC=C32)C1	REAL300001962335	1	51	0.0	-43.98	372.86	11.37	-32.61
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC3=CC=CC=C3C=C2)C1	REAL300001962471	0	49	0.0	-48.39	376.20	9.98	-38.41
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC3=CC=CC=C3C=C2)C1	REAL300001962471	1	49	0.0	-51.72	378.11	10.43	-41.29
CC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300001962560	0	47	0.0	-49.30	344.32	10.42	-38.88
CC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300001962560	1	47	0.0	-50.06	344.94	10.42	-39.64
CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001962626	1	42	0.0	-47.34	329.25	8.41	-38.93
CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001962626	1	42	0.0	-44.70	323.81	8.43	-36.27
CC(CC1=CC=C(C(F)(F)F)C=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001962732	0	49	0.0	-51.09	394.51	10.19	-40.90
CC(CC1=CC=C(C(F)(F)F)C=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001962732	1	49	0.0	-50.29	389.07	10.21	-40.08
CN(CC1=CC(Cl)=CC(Cl)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001962861	0	43	0.0	-48.01	367.11	10.49	-37.52
CN(CC1=CC(Cl)=CC(Cl)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001962861	1	43	0.0	-49.31	367.04	10.50	-38.81
CC1=CC=CC(C2(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCCCC2)=C1	REAL300001962991	0	59	0.0	-44.97	417.60	11.48	-33.49
CC1=CC=CC(C2(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCCCC2)=C1	REAL300001962991	1	59	0.0	-46.41	424.09	11.48	-34.93
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300001963125	0	46	0.0	-47.24	358.07	9.31	-37.93
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300001963125	1	46	0.0	-47.91	358.18	9.34	-38.57
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC(F)F)C=C2OC(F)F)C1	REAL300001963216	1	45	0.0	-54.45	361.48	6.58	-47.87
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC(F)F)C=C2OC(F)F)C1	REAL300001963216	1	45	0.0	-52.37	360.67	6.14	-46.23
CCOC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001963343	0	51	0.0	-50.48	391.09	7.52	-42.96
CCOC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300001963343	1	51	0.0	-52.66	397.31	7.54	-45.12
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C3CCCC3=C2)C1	REAL300001963444	0	47	0.0	-48.03	362.22	9.33	-38.70
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C3CCCC3=C2)C1	REAL300001963444	1	47	0.0	-46.80	356.01	9.31	-37.49
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC3=CC=CC=C3O2)C1	REAL300001963531	0	43	0.0	-51.06	344.59	7.93	-43.13
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC3=CC=CC=C3O2)C1	REAL300001963531	1	43	0.0	-48.28	338.39	7.91	-40.37
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(Cl)S2)C1	REAL300001963643	0	40	0.0	-47.73	337.36	7.43	-40.30
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(Cl)S2)C1	REAL300001963643	1	40	0.0	-51.17	339.27	7.88	-43.29
O=C([O-])C1CCC[N@H+](CC(=O)NC(CCC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001963775	0	56	0.0	-52.13	432.05	13.24	-38.89
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CCC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300001963775	1	56	0.0	-50.96	437.53	13.20	-37.76
COCCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001963876	0	51	0.0	-50.45	386.45	7.23	-43.22
COCCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300001963876	1	51	0.0	-52.69	387.24	7.67	-45.02
CC(C1=CC=C(Cl)C=C1)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300001963985	0	50	0.0	-45.91	383.02	11.30	-34.61
CC(C1=CC=C(Cl)C=C1)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300001963985	1	50	0.0	-43.07	374.46	10.82	-32.25
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300001964064	0	46	0.0	-72.41	342.95	8.12	-64.29
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300001964065	0	50	0.0	-77.93	374.02	8.39	-69.54
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300001964066	0	46	0.0	-80.95	342.95	8.12	-72.83
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])S2)CC1	REAL300001964067	0	43	0.0	-65.54	337.25	7.29	-58.25
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300001964068	0	45	0.0	-60.44	341.07	6.39	-54.05
CC(SC1=CC=CC=C1C(=O)NC1CC[NH+](C(C)(C)C)CC1)C(=O)[O-]	REAL300001964069	0	53	0.0	-76.68	395.69	9.89	-66.79
CCOC1=CC(C(=O)NC2CC[NH+](C(C)(C)C)CC2)=CC=C1OCC(=O)[O-]	REAL300001964070	0	57	0.0	-77.33	425.02	9.08	-68.25
CC(C)(C)[NH+]1CCC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300001964071	0	52	0.0	-75.78	389.01	9.60	-66.18
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=NC(C(=O)[O-])=C2)CC1	REAL300001964072	0	45	0.0	-83.44	339.03	6.36	-77.08
CC(C)(C)[NH+]1CCC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300001964073	0	50	0.0	-75.66	377.47	9.30	-66.36
CC(C)(C)[NH+]1CCC(NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300001964074	0	54	0.0	-74.57	421.67	4.50	-70.07
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300001964075	0	48	0.0	-72.30	371.10	8.78	-63.52
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300001964076	0	48	0.0	-72.30	371.10	8.78	-63.52
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C=C1	REAL300001964077	0	56	0.0	-77.51	417.95	9.69	-67.82
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300001964078	0	53	0.0	-84.86	400.66	9.70	-75.16
CC(C)(C)[NH+]1CCC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])CC1	REAL300001964079	0	52	0.0	-66.43	380.36	9.33	-57.10
CC1=CC(C(=O)NC2CC[NH+](C(C)(C)C)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300001964080	0	56	0.0	-74.19	418.04	9.97	-64.22
CC(C)(C)[NH+]1CCC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300001964081	0	49	0.0	-78.24	367.62	8.78	-69.46
CC(C)(C)[NH+]1CCC(NC(=O)C2CCCC(C(=O)[O-])C2)CC1	REAL300001964082	0	52	0.0	-78.77	362.56	8.20	-70.57
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])N=C2)CC1	REAL300001964083	0	45	0.0	-72.42	338.82	6.33	-66.09
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300001964084	0	45	0.0	-62.86	340.36	6.40	-56.46
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)CC1	REAL300001964085	0	46	0.0	-72.37	347.47	8.19	-64.18
CC(C)(C)[NH+]1CCC(NC(=O)C2=CN=C(C(=O)[O-])C=N2)CC1	REAL300001964086	0	44	0.0	-65.39	335.93	4.52	-60.87
CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300001964087	0	52	0.0	-70.59	367.75	8.32	-62.27
CC(C)(C)[NH+]1CCC(NC(=O)C2CCC(C(=O)[O-])CC2)CC1	REAL300001964088	0	52	0.0	-71.37	369.09	8.36	-63.01
CC(C)(C)[NH+]1CCC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300001964089	0	49	0.0	-81.38	367.62	8.79	-72.59
CC(C)(C)[NH+]1CCC(NC(=O)CN2C=C(C(=O)[O-])N=N2)CC1	REAL300001964090	0	45	0.0	-82.87	344.78	4.77	-78.10
CC1=NC(C(=O)NC2CC[NH+](C(C)(C)C)CC2)=CC=C1C(=O)[O-]	REAL300001964091	0	48	0.0	-62.87	356.62	6.91	-55.96
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300001964092	0	46	0.0	-73.85	364.24	8.73	-65.12
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300001964093	0	46	0.0	-72.41	342.95	8.12	-64.29
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300001964094	0	49	0.0	-74.17	365.13	8.88	-65.29
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC1	REAL300001964095	0	56	0.0	-66.83	409.01	11.48	-55.35
CC(C)(C)[NH+]1CCC(NC(=O)C2=C(CC(=O)[O-])OC=C2)CC1	REAL300001964096	0	46	0.0	-72.24	345.40	7.03	-65.21
CC1=COC(CC(=O)[O-])=C1C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300001964097	0	49	0.0	-72.31	372.24	7.66	-64.65
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=CC=N2)CC1	REAL300001964098	0	45	0.0	-69.29	340.55	6.40	-62.89
CC(C)(C)[NH+]1CCC(NC(=O)CC2CCC(C(=O)[O-])CC2)CC1	REAL300001964099	0	55	0.0	-75.94	387.77	9.05	-66.89
CC(C)(C)[NH+]1CCC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1	REAL300001964100	0	53	0.0	-79.05	376.92	8.51	-70.54
CC(C)(C)[NH+]1CCC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300001964101	0	56	0.0	-73.88	386.52	9.02	-64.86
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC1	REAL300001964102	0	48	0.0	-74.07	364.81	7.42	-66.65
CC(C)(C)[NH+]1CCC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300001964103	0	53	0.0	-77.66	395.10	8.83	-68.83
CC(C)(C)[NH+]1CCC(NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300001964104	0	59	0.0	-71.16	421.86	11.01	-60.15
CC1=C(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C=C(C(=O)[O-])O1	REAL300001964105	0	46	0.0	-65.42	346.09	7.27	-58.15
CC1=C(C(=O)[O-])OC(C(=O)NC2CC[NH+](C(C)(C)C)CC2)=C1	REAL300001964106	0	46	0.0	-61.53	347.30	7.10	-54.43
CC(C)(C)[NH+]1CCC(NC(=O)CN2C=C(C(=O)[O-])C=N2)CC1	REAL300001964107	0	46	0.0	-79.15	349.71	6.26	-72.89
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=C(C=CC(=O)[O-])O2)CC1	REAL300001964108	0	47	0.0	-64.67	362.51	7.71	-56.96
CC(C)(C)[NH+]1CCC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300001964109	0	53	0.0	-52.57	374.09	8.82	-43.75
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300001964110	0	50	0.0	-71.63	373.97	8.42	-63.21
CC(C)(C)[NH+]1CCC(NC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300001964111	0	55	0.0	-80.44	411.06	8.67	-71.77
CC(C)(C)[NH+]1CCC(NC(=O)CCSCC(=O)[O-])CC1	REAL300001964112	0	46	0.0	-68.71	352.80	7.30	-61.41
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300001964113	0	45	0.0	-62.86	340.36	6.40	-56.46
CN1N=C(C(=O)[O-])C=C1C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300001964114	0	46	0.0	-70.81	345.49	5.78	-65.03
C[C@@H]1C[C@H](C(=O)NC2CC[NH+](C(C)(C)C)CC2)O[C@H]1C(=O)[O-]	REAL300001964115	0	50	0.0	-76.57	365.32	7.61	-68.96
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300001964116	0	49	0.0	-69.30	365.14	8.89	-60.41
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC1	REAL300001964117	0	50	0.0	-73.53	375.04	9.41	-64.12
CC(C)(C)[NH+]1CCC(NC(=O)C=CC2=CC(C(=O)[O-])=CO2)CC1	REAL300001964118	0	47	0.0	-72.02	362.02	7.57	-64.45
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=CC=C2CCC(=O)[O-])CC1	REAL300001964119	0	52	0.0	-75.05	377.93	9.66	-65.39
CC(C)(C)[NH+]1CCC(NC(=O)COCC2=C(C(=O)[O-])N=CO2)CC1	REAL300001964120	0	49	0.0	-79.42	375.72	3.85	-75.57
CC(C)(C)[NH+]1CCC(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)CC1	REAL300001964121	0	47	0.0	-68.58	363.55	7.92	-60.66
CC1=CC=C(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C=C1C(=O)[O-]	REAL300001964122	0	49	0.0	-80.26	358.94	8.66	-71.60
CC(C)(C)[NH+]1CCC(NC(=O)C2=CN=CC(C(=O)[O-])=C2)CC1	REAL300001964123	0	45	0.0	-73.45	338.11	6.32	-67.13
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300001964124	0	48	0.0	-59.97	354.41	6.98	-52.99
CC(C)(C)[NH+]1CCC(NC(=O)CN2C=CC(C(=O)[O-])=N2)CC1	REAL300001964125	0	46	0.0	-89.50	349.03	6.28	-83.22
CC(C)(C)[NH+]1CCC(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)CC1	REAL300001964126	0	52	0.0	-89.32	392.63	7.65	-81.67
CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	REAL300001964127	0	53	0.0	-78.05	386.79	8.06	-69.99
CC(C)(C)[NH+]1CCC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1	REAL300001964128	0	53	0.0	-71.21	385.77	6.90	-64.31
CC1=C(C(=O)NC2CC[NH+](C(C)(C)C)CC2)OC(C(=O)[O-])=C1	REAL300001964129	0	46	0.0	-61.54	347.20	7.20	-54.34
CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC1	REAL300001964130	0	54	0.0	-58.49	374.61	9.24	-49.25
CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300001964131	0	52	0.0	-71.99	358.97	8.65	-63.34
CC(C)(C)[NH+]1CCC(NC(=O)CN2CCCC(C(=O)[O-])C2)CC1	REAL300001964132	1	54	0.0	-68.94	382.13	6.17	-62.77
CC(C)(C)[NH+]1CCC(NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC1	REAL300001964133	0	53	0.0	-54.28	382.90	10.16	-44.12
CC(C)(C)[NH+]1CCC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300001964134	0	53	0.0	-77.66	395.10	8.83	-68.83
CC(C)(C)[NH+]1CCC(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300001964135	0	53	0.0	-89.26	400.98	10.24	-79.02
CC(C)(C)[NH+]1CCC(NC(=O)C2CC3(CC3C(=O)[O-])C2)CC1	REAL300001964136	0	50	0.0	-71.26	364.04	8.45	-62.81
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300001964137	0	52	0.0	-68.47	376.22	9.16	-59.31
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300001964138	0	49	0.0	-61.55	358.98	8.80	-52.75
CC(C)(C)[NH+]1CCC(NC(=O)C2=C(C(=O)[O-])SC=C2)CC1	REAL300001964139	0	43	0.0	-76.54	330.40	8.07	-68.47
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300001964140	0	48	0.0	-71.60	348.59	6.89	-64.71
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300001964141	0	49	0.0	-72.50	358.97	8.79	-63.71
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC1	REAL300001964142	0	46	0.0	-70.93	355.43	8.63	-62.30
CC(C)(C)[NH+]1CCC(NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC1	REAL300001964143	0	53	0.0	-73.30	383.92	8.97	-64.33
COC1=CC(C(=O)[O-])=NC(C(=O)NC2CC[NH+](C(C)(C)C)CC2)=C1	REAL300001964144	0	49	0.0	-58.48	370.80	5.71	-52.77
CN1C(C(=O)[O-])=CC=C1C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300001964145	0	47	0.0	-72.22	345.89	7.33	-64.89
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC1	REAL300001964146	0	52	0.0	-71.07	386.54	9.70	-61.37
CC1=NNC(C(=O)NC2CC[NH+](C(C)(C)C)CC2)=C1C(=O)[O-]	REAL300001964147	0	46	0.0	-73.36	338.49	5.94	-67.42
CC(C)(C)[NH+]1CCC(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC1	REAL300001964148	0	50	0.0	-70.64	377.02	8.62	-62.02
CC(C)(C)[NH+]1CCC(NC(=O)C2=CSC(C(=O)[O-])=N2)CC1	REAL300001964149	0	42	0.0	-57.96	332.62	5.27	-52.69
CC1=C(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C=C(C(=O)[O-])S1	REAL300001964150	0	46	0.0	-62.34	353.38	7.98	-54.36
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC1	REAL300001964151	0	46	0.0	-72.87	372.76	8.69	-64.18
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2CC[NH+](C(C)(C)C)CC2)=C1	REAL300001964152	0	50	0.0	-74.14	380.66	7.80	-66.34
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300001964153	0	49	0.0	-63.59	366.87	8.41	-55.18
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC1	REAL300001964154	0	49	0.0	-79.38	378.12	9.39	-69.99
CC(C)(C)[NH+]1CCC(NC(=O)CCC2=CC=CN=C2C(=O)[O-])CC1	REAL300001964155	0	51	0.0	-73.23	376.52	7.57	-65.66
CC(C)(C)[NH+]1CCC(NC(=O)C23CC(C(=O)[O-])(C2)CO3)CC1	REAL300001964156	0	48	0.0	-65.42	352.83	5.70	-59.72
CC(C)(C)[NH+]1CCC(NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300001964157	0	50	0.0	-75.66	377.47	9.30	-66.36
CC(C)(C)[NH+]1CCC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300001964158	0	53	0.0	-52.57	374.09	8.82	-43.75
CN1N=CC(C(=O)[O-])=C1C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300001964159	0	46	0.0	-68.29	349.01	5.54	-62.75
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300001964160	0	47	0.0	-63.60	368.12	7.13	-56.47
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300001964161	0	47	0.0	-73.73	368.31	7.28	-66.45
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC1	REAL300001964162	0	47	0.0	-65.16	359.48	6.27	-58.89
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300001964163	0	49	0.0	-78.24	353.11	8.68	-69.56
CC(C)(C)[NH+]1CCC(NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300001964164	0	49	0.0	-77.08	373.24	7.53	-69.55
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300001964165	0	43	0.0	-76.12	336.17	7.14	-68.98
CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC1	REAL300001964166	0	51	0.0	-65.62	363.01	6.59	-59.03
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300001964167	0	52	0.0	-78.88	378.95	10.19	-68.69
CC(C)[C@]1(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@H]1C(=O)[O-]	REAL300001964168	0	52	0.0	-71.13	371.36	9.04	-62.09
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1CC[NH+](C(C)(C)C)CC1	REAL300001964169	0	52	0.0	-82.95	384.32	9.25	-73.70
CC(C)(C)[NH+]1CCC(NC(=O)CC2=CC(C(=O)[O-])=CS2)CC1	REAL300001964170	0	46	0.0	-78.95	359.18	7.93	-71.02
CC(C)(C)[NH+]1CCC(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC1	REAL300001964171	0	49	0.0	-84.16	372.16	8.82	-75.34
CC(C)(C)[NH+]1CCC(NC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC1	REAL300001964172	0	53	0.0	-66.40	391.95	9.65	-56.75
CC(C)(C)[NH+]1CCC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300001964173	0	56	0.0	-73.88	386.52	9.02	-64.86
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=C(Cl)C(Cl)=C2)C2CC2)C1	REAL300001964238	0	47	0.0	-47.29	382.01	11.71	-35.58
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=C(Cl)C(Cl)=C2)C2CC2)C1	REAL300001964238	1	47	0.0	-48.53	380.91	11.46	-37.07
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC3=C2OCCCO3)C1	REAL300001964349	0	49	0.0	-49.28	378.56	7.40	-41.88
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC3=C2OCCCO3)C1	REAL300001964349	1	49	0.0	-48.59	372.34	7.38	-41.21
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2COC2=CC=CC=C2)C1	REAL300001964468	0	51	0.0	-52.64	390.83	10.82	-41.82
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2COC2=CC=CC=C2)C1	REAL300001964468	1	51	0.0	-49.84	390.84	10.40	-39.44
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCCOC2C2=CC=CC=C2)C1	REAL300001964610	0	54	0.0	-49.77	406.54	9.07	-40.70
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCCOC2C2=CC=CC=C2)C1	REAL300001964610	1	54	0.0	-49.17	398.22	8.89	-40.28
C=CCN(CC1=CC=C(OC)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001964729	0	51	0.0	-45.61	385.41	9.68	-35.93
C=CCN(CC1=CC=C(OC)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001964729	1	51	0.0	-47.38	390.64	10.32	-37.06
CN(CC1=CSC(Br)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001964848	0	40	0.0	-47.07	345.82	9.16	-37.91
CN(CC1=CSC(Br)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001964848	1	40	0.0	-45.17	338.82	8.69	-36.48
CC1=CC=CC(OCC(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001964972	0	50	0.0	-47.47	386.31	8.60	-38.87
CC1=CC=CC(OCC(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001964972	1	50	0.0	-46.10	380.81	8.62	-37.48
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(Cl)=CC=C2OCC2CCCO2)C1	REAL300001965075	1	52	0.0	-49.59	408.45	8.54	-41.05
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(Cl)=CC=C2OCC2CCCO2)C1	REAL300001965075	1	52	0.0	-49.52	413.64	8.61	-40.91
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC(C)=CC(C)=C1	REAL300001965162	0	49	0.0	-47.24	374.38	11.14	-36.10
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC(C)=CC(C)=C1	REAL300001965162	1	49	0.0	-47.89	368.92	11.16	-36.73
CCC1CCC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001965238	0	52	0.0	-46.79	370.17	8.80	-37.99
CCC1CCC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001965238	1	52	0.0	-44.10	362.73	8.35	-35.75
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2CC2=CC=C(F)C=C2)C1	REAL300001965336	0	50	0.0	-47.93	370.48	10.93	-37.00
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2CC2=CC=C(F)C=C2)C1	REAL300001965336	1	50	0.0	-48.76	383.27	11.17	-37.59
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC2C2=C(F)C=CC=C2F)C1	REAL300001965453	0	44	0.0	-49.61	352.91	8.83	-40.78
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CC2C2=C(F)C=CC=C2F)C1	REAL300001965453	1	44	0.0	-49.02	351.75	8.80	-40.22
CC1CCC2=C(F)C=CC=C2C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001965581	0	50	0.0	-49.29	372.24	10.19	-39.10
CC1CCC2=C(F)C=CC=C2C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001965581	1	50	0.0	-48.25	366.98	10.21	-38.04
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(F)=CC=C2SCC(F)F)C1	REAL300001965737	1	44	0.0	-51.91	362.98	9.66	-42.25
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(F)=CC=C2SCC(F)F)C1	REAL300001965737	1	44	0.0	-52.02	368.44	9.64	-42.38
CC1=CC=C(CC(C)N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001965837	0	52	0.0	-44.03	384.59	11.28	-32.75
CC1=CC=C(CC(C)N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001965837	1	52	0.0	-48.60	385.25	11.76	-36.84
CC1SCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1C1=CC=CC=C1	REAL300001965944	0	51	0.0	-48.65	380.61	11.12	-37.53
CC1SCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1C1=CC=CC=C1	REAL300001965944	1	51	0.0	-49.67	373.59	11.15	-38.52
COCCCOC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001966113	0	54	0.0	-50.01	404.00	7.34	-42.67
COCCCOC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001966113	1	54	0.0	-46.57	396.52	6.88	-39.69
CC1CC(C2=CC=C(F)C=C2)CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001966239	0	50	0.0	-48.95	374.68	10.93	-38.02
CC1CC(C2=CC=C(F)C=C2)CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001966239	1	50	0.0	-50.02	381.44	10.97	-39.05
CC(C)OC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001966333	0	50	0.0	-47.62	369.59	8.24	-39.38
CC(C)OC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300001966333	1	50	0.0	-48.79	369.98	8.26	-40.53
CCOC1=CC=C(C(F)(F)F)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001966432	1	47	0.0	-49.71	379.67	8.66	-41.05
CCOC1=CC=C(C(F)(F)F)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001966432	1	47	0.0	-50.03	373.87	8.68	-41.35
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1C2CC3CC(C2)CC1C3	REAL300001966545	0	54	0.0	-43.36	354.47	10.13	-33.23
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1C2CC3CC(C2)CC1C3	REAL300001966545	1	54	0.0	-47.05	355.18	10.56	-36.49
COCCCOC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001966670	0	51	0.0	-52.99	396.47	7.40	-45.59
COCCCOC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001966670	1	51	0.0	-50.33	391.00	7.42	-42.91
CCOC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1OC(F)F	REAL300001966796	0	51	0.0	-50.34	400.14	7.92	-42.42
CCOC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1OC(F)F	REAL300001966796	1	51	0.0	-51.24	405.84	7.87	-43.37
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(C2)CCOCC3)C1	REAL300001966882	0	48	0.0	-44.67	340.93	6.70	-37.97
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(C2)CCOCC3)C1	REAL300001966882	1	48	0.0	-48.04	348.95	7.21	-40.83
CCC1=CC=C(CC)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001966962	0	49	0.0	-48.75	370.91	10.35	-38.40
CCC1=CC=C(CC)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300001966962	1	49	0.0	-48.64	366.09	10.44	-38.20
COC1(C)CC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300001967056	0	53	0.0	-46.57	373.21	8.16	-38.41
COC1(C)CC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300001967056	1	53	0.0	-47.83	378.27	8.33	-39.50
CCC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC1C1=CC=CC=C1	REAL300001967171	0	56	0.0	-47.88	408.38	12.03	-35.85
CCC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC1C1=CC=CC=C1	REAL300001967171	1	56	0.0	-44.65	392.30	11.76	-32.89
CC(C)(C)OC(=O)CCC(C)(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001967292	0	57	0.0	-47.74	409.02	9.01	-38.73
CC(C)(C)OC(=O)CCC(C)(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001967292	1	57	0.0	-47.90	409.10	9.04	-38.86
CSCC1=CC(F)=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001967410	0	47	0.0	-45.18	376.96	9.37	-35.81
CSCC1=CC(F)=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001967410	1	47	0.0	-51.74	384.29	9.47	-42.27
CC(C)(C)OC(=O)C1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001967528	0	52	0.0	-48.11	381.12	10.12	-37.99
CC(C)(C)OC(=O)C1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001967528	1	52	0.0	-48.27	387.29	10.10	-38.17
CCCCC1=CC=C(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001967631	0	52	0.0	-44.77	391.74	11.56	-33.21
CCCCC1=CC=C(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300001967631	1	52	0.0	-49.10	392.56	12.01	-37.09
O=C([O-])C1CCC[N@H+](CC(=O)N2CCSC3COCCC32)C1	REAL300001967739	0	46	0.0	-50.97	341.31	7.30	-43.67
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCSC3COCCC32)C1	REAL300001967739	1	46	0.0	-50.65	335.11	7.28	-43.37
CCSC1CCCC1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300001967824	0	47	0.0	-44.18	362.51	8.91	-35.27
CCSC1CCCC1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300001967824	1	47	0.0	-49.66	359.85	8.58	-41.08
CCSC1CCCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001967927	0	50	0.0	-47.61	381.35	9.02	-38.59
CCSC1CCCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300001967927	1	50	0.0	-45.34	369.43	9.00	-36.34
O=C([O-])C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(Cl)C=C1	REAL300001968902	0	50	0.0	-73.36	410.24	11.79	-61.57
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=C(Cl)C=C1	REAL300001970123	0	44	0.0	-64.85	358.46	9.42	-55.43
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)CN12	REAL300001970148	1	42	0.0	-58.45	356.68	9.30	-49.15
CC(C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)N1CC[NH+](C)CC1	REAL300001970214	1	45	0.0	-67.24	360.23	6.30	-60.94
C[N@@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970247	0	40	0.0	-50.98	331.08	8.16	-42.82
C[N@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970247	1	40	0.0	-55.29	321.97	7.90	-47.39
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300001970318	0	40	0.0	-69.09	333.88	8.14	-60.95
O=C([O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=C(Cl)C=C1	REAL300001970342	0	35	0.0	-67.38	319.45	9.98	-57.40
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CCCCC1	REAL300001970370	0	49	0.0	-68.76	373.78	10.19	-58.57
C[N@H+](CCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCCC1	REAL300001970374	0	49	0.0	-62.77	387.11	10.13	-52.64
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCCC1	REAL300001970374	1	49	0.0	-62.21	387.10	10.12	-52.09
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300001970431	0	40	0.0	-69.09	333.88	8.14	-60.95
O=C([O-])C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=C(Cl)C=C1	REAL300001970434	0	43	0.0	-77.49	378.52	9.12	-68.37
O=C([O-])C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=CC=C(Cl)C=C1	REAL300001970449	0	51	0.0	-74.08	400.79	8.84	-65.24
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970478	1	41	0.0	-63.94	360.02	9.46	-54.48
O=C([O-])C(NC(=O)CCCC[NH+]1CCOCC1)C1=CC=C(Cl)C=C1	REAL300001970479	1	47	0.0	-71.01	386.96	8.12	-62.89
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1)C(C)C	REAL300001970481	0	52	0.0	-78.27	407.74	11.30	-66.97
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1)C(C)C	REAL300001970481	1	52	0.0	-75.50	406.79	11.15	-64.35
O=C([O-])C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(Cl)C=C1	REAL300001970519	0	47	0.0	-63.64	392.65	10.95	-52.69
O=C([O-])C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(Cl)C=C1	REAL300001970519	1	47	0.0	-63.60	392.27	10.93	-52.67
O=C([O-])C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=CC=C(Cl)C=C1	REAL300001970520	0	48	0.0	-71.69	388.74	10.06	-61.63
O=C([O-])C(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=CC=C(Cl)C=C1	REAL300001970545	0	51	0.0	-64.00	381.62	8.19	-55.81
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[NH+](CC)CC	REAL300001970549	0	45	0.0	-50.14	355.50	8.80	-41.34
CC(C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001970551	0	46	0.0	-55.71	384.24	10.49	-45.22
CC(C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001970551	1	46	0.0	-58.56	384.11	10.48	-48.08
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300001970571	0	42	0.0	-73.68	362.63	8.17	-65.51
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970577	0	51	0.0	-65.85	411.89	10.68	-55.17
C[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001970579	1	38	0.0	-69.65	326.45	7.01	-62.64
C[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001970579	1	38	0.0	-69.65	326.46	7.02	-62.63
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970587	1	41	0.0	-54.92	354.94	9.22	-45.70
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=CC=C(Cl)C=C1	REAL300001970602	0	47	0.0	-78.88	392.25	11.13	-67.75
O=C([O-])C(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=CC=C(Cl)C=C1	REAL300001970608	0	50	0.0	-70.94	408.41	11.88	-59.06
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300001970613	0	40	0.0	-64.80	342.25	8.22	-56.58
C[NH+](C)CCCCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970621	0	42	0.0	-70.44	354.70	8.62	-61.82
CC1=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300001970642	1	41	0.0	-76.73	364.81	8.44	-68.29
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=C(Cl)C=C1	REAL300001970645	0	50	0.0	-79.89	408.74	11.79	-68.10
O=C([O-])C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=CC=C(Cl)C=C1	REAL300001970657	1	43	0.0	-74.43	372.70	8.58	-65.85
C[NH+](C)CCC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300001970658	0	46	0.0	-83.61	389.97	10.83	-72.78
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970664	1	39	0.0	-55.30	338.39	7.63	-47.67
O=C([O-])C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1=CC=C(Cl)C=C1	REAL300001970665	1	48	0.0	-72.95	403.45	10.49	-62.46
O=C([O-])C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=CC=C(Cl)C=C1	REAL300001970665	1	48	0.0	-66.17	403.23	10.58	-55.59
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCC1	REAL300001970685	0	40	0.0	-53.16	335.15	8.54	-44.62
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCC1	REAL300001970685	1	40	0.0	-54.12	335.29	8.55	-45.57
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)CC(C)(C)C	REAL300001970711	0	45	0.0	-56.08	358.96	8.96	-47.12
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)CC(C)(C)C	REAL300001970711	1	45	0.0	-56.17	359.07	9.03	-47.14
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970713	0	46	0.0	-58.73	388.19	11.00	-47.73
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970713	1	46	0.0	-58.69	388.23	10.99	-47.70
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970714	0	50	0.0	-62.80	417.47	7.11	-55.69
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970714	1	50	0.0	-63.93	417.47	7.10	-56.83
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001970718	0	44	0.0	-64.57	356.74	6.90	-57.67
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001970718	1	44	0.0	-54.89	359.00	6.88	-48.01
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970730	0	48	0.0	-57.59	393.01	10.24	-47.35
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970730	1	48	0.0	-57.51	393.06	10.25	-47.26
O=C([O-])C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC=C(Cl)C=C1	REAL300001970744	1	35	0.0	-74.32	319.73	10.01	-64.31
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCSC1	REAL300001970755	0	41	0.0	-59.70	349.82	8.79	-50.91
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCSC1	REAL300001970755	1	41	0.0	-61.63	348.63	8.70	-52.93
CC(C)[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300001970769	0	51	0.0	-66.99	404.64	7.65	-59.34
CC(C)N1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300001970769	1	51	0.0	-62.05	400.35	7.50	-54.55
CC(C)[NH+]1CCN(CCCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300001970770	0	54	0.0	-67.81	425.54	8.51	-59.30
CC(C)N1CC[NH+](CCCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300001970770	1	54	0.0	-65.57	421.85	8.29	-57.28
O=C([O-])C(NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC=C(Cl)C=C1	REAL300001970771	0	44	0.0	-50.16	353.64	9.30	-40.86
O=C([O-])C(NC(=O)C1CCCC2CCC[N@H+]21)C1=CC=C(Cl)C=C1	REAL300001970771	1	44	0.0	-51.53	353.85	9.32	-42.21
C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300001970773	0	43	0.0	-77.68	373.40	8.06	-69.62
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=CC=C(Cl)C=C1	REAL300001970778	0	49	0.0	-65.56	404.68	9.86	-55.70
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=CC=C(Cl)C=C1	REAL300001970778	1	49	0.0	-58.87	396.94	10.03	-48.84
CC(C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001970783	1	47	0.0	-55.98	383.71	11.09	-44.89
CC(C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001970783	1	47	0.0	-55.70	383.74	11.10	-44.60
O=C([O-])C(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(Cl)C=C1	REAL300001970802	0	50	0.0	-69.67	413.30	11.74	-57.93
O=C([O-])C(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(Cl)C=C1	REAL300001970802	1	50	0.0	-69.87	412.24	11.65	-58.22
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300001970815	0	43	0.0	-84.45	374.02	7.98	-76.47
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970816	0	43	0.0	-58.34	368.99	8.01	-50.33
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC[N@@H+]1C	REAL300001970818	0	40	0.0	-66.31	326.63	7.75	-58.56
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC[N@H+]1C	REAL300001970818	1	40	0.0	-62.98	328.44	7.73	-55.25
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970819	1	44	0.0	-58.28	375.24	9.70	-48.58
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC[N@@H+]1C	REAL300001970822	0	43	0.0	-64.29	346.52	8.15	-56.14
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC[N@H+]1C	REAL300001970822	1	43	0.0	-59.77	350.35	8.70	-51.07
CC1C[N@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)O1	REAL300001970830	1	41	0.0	-68.25	340.91	7.73	-60.52
CC1C[N@@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)O1	REAL300001970830	1	41	0.0	-70.92	340.66	7.23	-63.69
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970837	1	35	0.0	-55.87	318.52	8.17	-47.70
CC(C[NH+]1CCOCC1)C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970839	0	44	0.0	-62.55	360.00	7.26	-55.29
CC1CC[NH+](CC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300001970854	0	43	0.0	-55.72	351.65	9.02	-46.70
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001970865	1	41	0.0	-66.83	344.26	7.66	-59.17
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001970865	1	41	0.0	-50.28	336.64	7.47	-42.81
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300001970895	1	50	0.0	-72.46	410.88	10.12	-62.34
O=C([O-])C(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=CC=C(Cl)C=C1	REAL300001970896	0	50	0.0	-62.95	395.90	10.39	-52.56
O=C([O-])C(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=CC=C(Cl)C=C1	REAL300001970896	1	50	0.0	-64.04	394.56	10.35	-53.69
C[N@@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970903	0	43	0.0	-64.54	352.66	8.89	-55.65
C[N@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001970903	1	43	0.0	-64.98	350.58	8.54	-56.44
O=C([O-])C(NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC=C(Cl)C=C1	REAL300001970914	0	44	0.0	-52.07	356.78	9.38	-42.69
O=C([O-])C(NC(=O)C1CCC2CCCC[N@H+]21)C1=CC=C(Cl)C=C1	REAL300001970914	1	44	0.0	-56.05	350.70	9.05	-47.00
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300001970934	0	46	0.0	-67.44	364.56	9.10	-58.34
O=C([O-])C(NC(=O)C12CC[NH+](CC1)C2)C1=CC=C(Cl)C=C1	REAL300001971000	0	38	0.0	-66.70	320.71	7.07	-59.63
O=C([O-])C(NC(=O)C12CC[N@H+](C1)CCC2)C1=CC=C(Cl)C=C1	REAL300001971009	0	41	0.0	-66.10	331.10	7.79	-58.31
O=C([O-])C(NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC=C(Cl)C=C1	REAL300001971009	1	41	0.0	-72.66	329.91	7.89	-64.77
CC1CCC(C)[NH+]1CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001971047	0	43	0.0	-53.84	346.43	8.49	-45.35
C[NH+](C)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300001971048	0	43	0.0	-72.55	367.44	9.99	-62.56
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(Cl)C=C1	REAL300001971049	0	50	0.0	-58.46	404.21	11.87	-46.59
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(Cl)C=C1	REAL300001971049	1	50	0.0	-58.59	404.13	11.88	-46.71
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300001971103	0	42	0.0	-72.01	358.84	9.42	-62.59
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300001971105	0	48	0.0	-68.94	386.78	6.98	-61.96
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300001971105	1	48	0.0	-61.53	387.29	7.18	-54.35
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001971110	1	44	0.0	-57.14	374.10	9.67	-47.47
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CC1	REAL300001971116	0	40	0.0	-52.83	337.89	8.51	-44.32
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CC1	REAL300001971116	1	40	0.0	-53.66	335.05	8.51	-45.15
CC(C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)[NH+]1CCCCCC1	REAL300001971143	0	46	0.0	-51.56	358.72	8.95	-42.61
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)=CC=C1N2	REAL300001971181	1	48	0.0	-79.69	402.23	10.42	-69.27
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)=CC=C1N2	REAL300001971181	1	48	0.0	-79.72	402.46	10.40	-69.32
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)O1	REAL300001971219	0	46	0.0	-72.96	389.20	9.67	-63.29
O=C([O-])C(NC(=O)CCCC[NH+]1CCCC1)C1=CC=C(Cl)C=C1	REAL300001971220	0	46	0.0	-68.65	380.62	9.80	-58.85
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)CC2)[NH+]=C1	REAL300001971222	1	49	0.0	-67.84	402.71	9.61	-58.23
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)CC1=CC=CC=C1	REAL300001971223	1	43	0.0	-59.16	365.75	10.15	-49.01
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1)CC1=CC=CC=C1	REAL300001971223	1	43	0.0	-59.57	366.00	10.07	-49.50
O=C([O-])C(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=CC=C(Cl)C=C1	REAL300001971248	1	38	0.0	-75.41	348.59	7.93	-67.48
C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=NO1	REAL300001971270	1	39	0.0	-76.20	347.40	7.47	-68.73
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001971274	0	50	0.0	-71.54	414.00	11.47	-60.07
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001971274	1	50	0.0	-66.61	410.40	11.48	-55.13
CC(C)[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001971287	0	43	0.0	-54.36	348.30	8.57	-45.79
CC(C)[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300001971287	1	43	0.0	-56.75	341.48	8.81	-47.94
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300001971307	0	44	0.0	-74.91	369.00	8.64	-66.27
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=CC=C(Cl)C=C1	REAL300001971312	0	47	0.0	-74.09	394.17	10.14	-63.95
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001971460	0	46	0.0	-62.80	372.83	9.57	-53.23
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001971460	1	46	0.0	-62.61	372.44	9.55	-53.06
O=C([O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C1=CC=C(Cl)C=C1	REAL300001971485	1	44	0.0	-56.15	362.48	5.71	-50.44
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001971665	0	46	0.0	-53.05	361.94	9.48	-43.57
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001971665	1	46	0.0	-54.26	361.33	9.54	-44.72
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C(F)(F)F)C1	REAL300001971666	0	40	0.0	-57.76	352.48	8.33	-49.43
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C(F)(F)F)C1	REAL300001971666	1	40	0.0	-73.68	353.24	8.20	-65.48
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)N1	REAL300001971690	1	41	0.0	-57.60	358.92	7.81	-49.79
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300001972082	0	46	0.0	-75.30	389.94	10.83	-64.47
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300001972089	0	47	0.0	-80.15	397.03	9.85	-70.30
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001972203	0	40	0.0	-62.99	338.64	8.28	-54.71
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300001972207	0	46	0.0	-53.39	360.00	9.22	-44.17
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3=CC=C(Cl)C=C3)=CN12	REAL300001972211	0	38	0.0	-63.56	340.88	9.76	-53.80
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001972262	0	49	0.0	-55.69	384.26	10.39	-45.30
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001972262	1	49	0.0	-53.87	381.52	10.36	-43.51
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001972263	0	43	0.0	-61.35	351.52	8.75	-52.60
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001972263	1	43	0.0	-60.73	351.32	8.83	-51.90
C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001972267	0	40	0.0	-62.73	333.28	8.15	-54.58
C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300001972267	1	40	0.0	-63.01	333.67	8.17	-54.84
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C=C2)O1	REAL300001972269	1	40	0.0	-76.41	353.67	8.36	-68.05
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=C(Cl)C=C1	REAL300001972277	1	42	0.0	-59.90	355.38	9.07	-50.83
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=C(Cl)C=C1	REAL300001972277	1	42	0.0	-57.15	346.56	9.10	-48.05
O=C([O-])CC1=CC=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300001973605	0	50	0.0	-75.81	392.94	11.48	-64.33
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300001974378	0	47	0.0	-67.91	376.88	10.97	-56.94
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300001974378	1	47	0.0	-64.38	369.23	10.38	-54.00
O=C([O-])CC1=CC=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300001975286	0	44	0.0	-69.92	345.16	9.32	-60.60
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)CN21	REAL300001975311	1	42	0.0	-63.45	338.70	8.98	-54.47
O=C([O-])CC1=CC=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=C1	REAL300001975312	0	50	0.0	-67.12	394.59	11.35	-55.77
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)CC2)=CS1	REAL300001975384	1	49	0.0	-74.29	399.19	9.19	-65.10
CC(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300001975385	1	45	0.0	-69.84	342.27	6.05	-63.79
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300001975468	0	53	0.0	-74.14	425.61	11.00	-63.14
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300001975482	0	53	0.0	-77.77	426.41	13.32	-64.45
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300001975482	1	53	0.0	-77.29	426.42	13.33	-63.96
CC1(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300001975483	0	53	0.0	-67.21	405.38	11.88	-55.33
C[NH+](C)CC1(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)CCCCC1	REAL300001975567	0	49	0.0	-69.51	353.56	9.70	-59.81
C[N@H+](CCC(=O)NC1=CC=CC(CC(=O)[O-])=C1)C1CCCCC1	REAL300001975570	0	49	0.0	-71.26	369.96	9.86	-61.40
C[N@@H+](CCC(=O)NC1=CC=CC(CC(=O)[O-])=C1)C1CCCCC1	REAL300001975570	1	49	0.0	-71.20	369.95	9.85	-61.35
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O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=C1	REAL300001975596	1	47	0.0	-71.05	381.41	10.96	-60.09
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C1	REAL300001975657	0	43	0.0	-73.31	359.95	8.88	-64.43
C[NH+](C)CCN1N=CC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=C1C1=CC=CC=C1	REAL300001975662	0	53	0.0	-77.70	424.55	11.02	-66.68
O=C([O-])CC1=CC=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=C1	REAL300001975687	0	50	0.0	-63.73	363.97	10.17	-53.56
O=C([O-])CC1=CC=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=C1	REAL300001975687	1	50	0.0	-62.09	368.44	10.04	-52.05
O=C([O-])CC1=CC=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=C1	REAL300001975688	0	51	0.0	-67.07	376.29	8.39	-58.68
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300001975718	1	41	0.0	-67.68	342.52	9.16	-58.52
O=C([O-])CC1=CC=CC(NC(=O)CCCC[NH+]2CCOCC2)=C1	REAL300001975719	1	47	0.0	-74.31	369.81	7.84	-66.47
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1)C(C)C	REAL300001975721	0	52	0.0	-72.85	394.90	11.23	-61.62
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1)C(C)C	REAL300001975721	1	52	0.0	-73.13	389.44	10.93	-62.20
O=C([O-])CC1=CC=CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300001975746	0	47	0.0	-72.06	374.64	10.63	-61.43
O=C([O-])CC1=CC=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300001975746	1	47	0.0	-70.82	376.36	10.73	-60.09
O=C([O-])CC1=CC=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=C1	REAL300001975747	0	48	0.0	-77.69	369.97	9.81	-67.88
C[NH+]1CCN(C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C2=CC=CC=C2)CC1	REAL300001975775	1	52	0.0	-68.41	405.35	9.57	-58.84
O=C([O-])CC1=CC=CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=C1	REAL300001975776	0	51	0.0	-71.78	364.46	7.92	-63.86
CC(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001975779	0	46	0.0	-68.56	365.96	10.25	-58.31
CC(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001975779	1	46	0.0	-72.86	365.36	10.30	-62.56
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=C1	REAL300001975790	0	53	0.0	-73.72	414.74	12.31	-61.41
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=C1	REAL300001975790	1	53	0.0	-66.43	408.71	12.49	-53.94
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300001975820	0	42	0.0	-74.40	345.47	7.88	-66.52
CCC[NH+](CCC)CCCC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300001975831	0	51	0.0	-71.05	389.13	10.19	-60.86
O=C([O-])CC1=CC=CC(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)=C1	REAL300001975832	1	51	0.0	-65.27	399.76	8.20	-57.07
CC[N@H+](C)C(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)C1=CC=CC=C1	REAL300001975833	1	46	0.0	-63.65	364.00	10.38	-53.27
CC[N@@H+](C)C(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)C1=CC=CC=C1	REAL300001975833	1	46	0.0	-71.22	359.68	10.18	-61.04
CC[NH+](CC)C(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)C1=CC=CC=C1	REAL300001975838	0	49	0.0	-71.83	370.17	10.51	-61.32
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300001975844	1	41	0.0	-67.17	336.94	9.00	-58.17
C[NH+](C)C(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)C1=CC=C(Cl)C=C1	REAL300001975846	1	43	0.0	-73.77	362.71	10.27	-63.50
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=C1	REAL300001975860	0	47	0.0	-85.37	374.22	10.91	-74.46
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=C1	REAL300001975867	0	50	0.0	-76.29	390.97	11.60	-64.69
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)CC2)CC1	REAL300001975874	0	58	0.0	-72.68	425.61	9.06	-63.62
CC1C[NH+](CC2=CC=C(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)C=C2)CC(C)O1	REAL300001975881	1	54	0.0	-79.24	424.54	10.62	-68.62
O=C([O-])CC1=CC=CC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300001975891	1	51	0.0	-79.60	399.10	10.68	-68.92
O=C([O-])CC1=CC=CC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300001975891	1	51	0.0	-77.66	405.59	10.72	-66.94
O=C([O-])CC1=CC=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300001975905	0	50	0.0	-65.40	380.45	11.23	-54.17
O=C([O-])CC1=CC=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300001975905	1	50	0.0	-63.13	389.64	11.42	-51.71
CC1=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=NN1C1=CC=[NH+]C=C1	REAL300001975907	1	41	0.0	-78.22	347.09	8.16	-70.06
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=C1	REAL300001975915	0	50	0.0	-76.36	391.26	11.59	-64.77
O=C([O-])CC1=CC=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=C1	REAL300001975927	1	43	0.0	-81.75	356.03	8.44	-73.31
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300001975928	0	46	0.0	-78.60	372.19	10.57	-68.03
O=C([O-])CC1=CC=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300001975939	1	48	0.0	-75.20	385.94	10.19	-65.01
O=C([O-])CC1=CC=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300001975939	1	48	0.0	-75.91	385.34	10.20	-65.71
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300001975946	0	57	0.0	-66.20	435.74	12.99	-53.21
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300001975946	1	57	0.0	-65.66	428.30	12.71	-52.95
CC(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001975953	0	56	0.0	-67.84	429.70	12.75	-55.09
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300001975996	0	46	0.0	-72.59	370.69	10.68	-61.91
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300001975996	1	46	0.0	-74.69	370.40	10.70	-63.99
COCCOCC[N@H+](C)CCC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300001975997	0	50	0.0	-71.26	399.45	6.87	-64.39
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300001975997	1	50	0.0	-72.34	399.73	6.88	-65.46
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=CC(CC(=O)[O-])=C2)C1	REAL300001976000	0	44	0.0	-69.57	331.93	6.33	-63.24
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=CC(CC(=O)[O-])=C2)C1	REAL300001976000	1	44	0.0	-64.44	341.83	6.52	-57.92
O=C([O-])CC1=CC=CC(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)=C1	REAL300001976008	0	55	0.0	-76.32	425.84	10.40	-65.92
O=C([O-])CC1=CC=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)=C1	REAL300001976009	1	49	0.0	-70.68	375.57	9.49	-61.19
O=C([O-])CC1=CC=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)=C1	REAL300001976009	1	49	0.0	-67.35	384.93	9.66	-57.69
CCCCCC[N@H+](C)CC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300001976012	0	48	0.0	-72.74	374.98	10.03	-62.71
CCCCCC[N@@H+](C)CC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300001976012	1	48	0.0	-69.83	375.27	10.01	-59.82
C[N@H+](CC(=O)NC1=CC=CC(CC(=O)[O-])=C1)C1CCSC1	REAL300001976039	1	41	0.0	-76.50	331.02	8.48	-68.02
C[N@@H+](CC(=O)NC1=CC=CC(CC(=O)[O-])=C1)C1CCSC1	REAL300001976039	1	41	0.0	-73.23	330.82	8.50	-64.73
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300001976050	0	51	0.0	-69.16	386.64	7.44	-61.72
CC(C)N1CC[NH+](CCC(=O)NC2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300001976050	1	51	0.0	-71.23	383.21	7.23	-64.00
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300001976051	0	54	0.0	-68.63	408.39	8.24	-60.39
CC(C)N1CC[NH+](CCCC(=O)NC2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300001976051	1	54	0.0	-71.92	404.71	8.02	-63.90
O=C([O-])CC1=CC=CC(NC(=O)C2CCCC3CCC[N@@H+]32)=C1	REAL300001976052	0	44	0.0	-60.62	335.55	9.08	-51.54
O=C([O-])CC1=CC=CC(NC(=O)C2CCCC3CCC[N@H+]32)=C1	REAL300001976052	1	44	0.0	-64.30	328.19	8.80	-55.50
C[NH+](C)CCN1C=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300001976054	0	43	0.0	-79.29	355.85	7.76	-71.53
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=CC=CC(CC(=O)[O-])=C3)CC2)=C1	REAL300001976060	0	55	0.0	-75.63	425.75	10.26	-65.37
O=C([O-])CC1=CC=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=C1	REAL300001976062	0	52	0.0	-75.78	403.84	9.56	-66.22
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=C1	REAL300001976066	0	49	0.0	-73.16	381.32	9.89	-63.27
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=C1	REAL300001976066	1	49	0.0	-73.33	381.57	9.87	-63.46
CC(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001976071	1	47	0.0	-72.34	366.53	10.76	-61.58
CC(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001976071	1	47	0.0	-68.55	366.08	10.80	-57.75
O=C([O-])CC1=CC=CC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300001976098	0	50	0.0	-75.26	396.68	11.47	-63.79
O=C([O-])CC1=CC=CC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300001976098	1	50	0.0	-76.67	397.12	11.47	-65.20
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300001976111	0	43	0.0	-78.97	356.23	7.78	-71.19
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300001976112	0	43	0.0	-71.41	342.00	8.17	-63.24
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300001976118	1	44	0.0	-68.40	357.21	9.48	-58.92
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=NN1	REAL300001976121	1	44	0.0	-77.04	357.31	7.34	-69.70
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=NN1	REAL300001976121	1	44	0.0	-76.88	357.75	7.32	-69.56
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)=C1	REAL300001976132	0	50	0.0	-73.11	392.81	11.72	-61.39
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)=C1	REAL300001976132	1	50	0.0	-70.63	393.06	11.71	-58.92
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)=C1	REAL300001976133	1	46	0.0	-62.98	372.25	9.33	-53.65
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)=C1	REAL300001976133	1	46	0.0	-67.87	369.53	8.99	-58.88
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300001976137	0	44	0.0	-71.17	342.64	6.97	-64.20
O=C([O-])CC1=CC=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)=C1	REAL300001976138	0	51	0.0	-75.43	402.07	9.01	-66.42
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300001976186	1	50	0.0	-77.28	392.90	9.82	-67.46
O=C([O-])CC1=CC=CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=C1	REAL300001976187	0	50	0.0	-68.74	375.98	10.14	-58.60
O=C([O-])CC1=CC=CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)=C1	REAL300001976187	1	50	0.0	-70.06	376.60	10.14	-59.92
O=C([O-])CC1=CC=CC(NC(=O)C23CCC[NH+](CCC2)C3)=C1	REAL300001976206	0	44	0.0	-70.63	328.71	8.45	-62.18
O=C([O-])CC1=CC=CC(NC(=O)C2CCC3CCCC[N@@H+]32)=C1	REAL300001976210	0	44	0.0	-63.19	333.05	8.76	-54.43
O=C([O-])CC1=CC=CC(NC(=O)C2CCC3CCCC[N@H+]32)=C1	REAL300001976210	1	44	0.0	-62.27	339.19	9.20	-53.07
O=C([O-])CC1=CC=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)=C1	REAL300001976212	0	55	0.0	-75.05	423.44	10.72	-64.33
O=C([O-])CC1=CC=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)=C1	REAL300001976212	1	55	0.0	-77.85	425.81	10.26	-67.59
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300001976219	0	47	0.0	-68.04	351.49	7.30	-60.74
CC(C)[N@@H+]1CCC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C(C2=CN(C)N=C2)C1	REAL300001976224	0	56	0.0	-73.04	421.80	9.94	-63.10
CC(C)[N@H+]1CCC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C(C2=CN(C)N=C2)C1	REAL300001976224	1	56	0.0	-70.87	415.01	9.47	-61.40
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300001976225	0	50	0.0	-84.80	388.21	8.63	-76.17
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300001976225	1	50	0.0	-83.58	395.86	9.07	-74.51
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)=C2)CC1	REAL300001976230	0	52	0.0	-71.16	408.07	9.17	-61.99
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)C=C2)CC1	REAL300001976231	0	52	0.0	-73.45	407.44	8.99	-64.46
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CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300001976232	0	53	0.0	-74.21	414.70	10.87	-63.34
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C[N@@H+]1CCCCC1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980278	1	47	0.0	-74.42	355.51	8.07	-66.35
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CC(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300001980279	1	52	0.0	-75.38	396.22	6.49	-68.89
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980319	1	47	0.0	-72.49	364.59	8.27	-64.22
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980319	1	47	0.0	-74.24	355.35	8.05	-66.19
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C[NH+](C)CC1(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CCCCC1	REAL300001980470	0	56	0.0	-78.44	404.97	10.10	-68.34
C[N@H+](CCC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)C1CCCCC1	REAL300001980475	0	56	0.0	-79.05	421.31	10.23	-68.82
C[N@@H+](CCC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)C1CCCCC1	REAL300001980475	1	56	0.0	-78.89	421.09	10.25	-68.64
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C[N@H+]1CCCC1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980492	1	44	0.0	-75.29	342.82	7.20	-68.09
C[NH+]1CCC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001980548	0	47	0.0	-80.75	367.25	8.30	-72.45
O=C([O-])CCCOC1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C1	REAL300001980552	0	50	0.0	-81.58	411.30	9.28	-72.30
O=C([O-])CCCOC1=CC=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1	REAL300001980572	0	57	0.0	-71.65	415.35	10.55	-61.10
O=C([O-])CCCOC1=CC=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1	REAL300001980572	1	57	0.0	-70.19	419.89	10.48	-59.71
O=C([O-])CCCOC1=CC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C1	REAL300001980573	0	58	0.0	-82.13	434.60	8.92	-73.21
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980609	1	48	0.0	-73.68	393.61	9.56	-64.12
O=C([O-])CCCOC1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C=C1	REAL300001980610	1	54	0.0	-80.49	420.90	8.25	-72.24
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C=C1)C(C)C	REAL300001980613	0	59	0.0	-80.32	448.74	11.75	-68.57
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C=C1)C(C)C	REAL300001980613	1	59	0.0	-80.57	440.67	11.32	-69.25
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980616	0	44	0.0	-75.49	342.96	7.20	-68.29
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980616	1	44	0.0	-73.14	349.02	7.71	-65.43
C[NH+](C)C1(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001980625	1	44	0.0	-77.96	352.07	7.86	-70.10
O=C([O-])CCCOC1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001980671	0	54	0.0	-78.70	427.48	11.11	-67.59
O=C([O-])CCCOC1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001980671	1	54	0.0	-77.85	427.79	11.13	-66.72
O=C([O-])CCCOC1=CC=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C=C1	REAL300001980672	0	55	0.0	-85.53	422.25	10.29	-75.24
O=C([O-])CCCOC1=CC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C1	REAL300001980696	0	58	0.0	-79.51	415.84	8.32	-71.19
CCC(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+](CC)CC	REAL300001980700	0	52	0.0	-69.41	387.42	9.08	-60.33
CC(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300001980702	0	53	0.0	-77.18	417.80	10.64	-66.54
CC(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300001980702	1	53	0.0	-76.46	416.82	10.69	-65.77
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C=N1	REAL300001980735	0	49	0.0	-81.17	396.89	8.65	-72.52
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980741	0	58	0.0	-77.52	441.05	10.57	-66.95
CC[N@H+](C)C(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001980742	1	53	0.0	-72.13	415.15	10.81	-61.32
CC[N@@H+](C)C(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001980742	1	53	0.0	-71.96	415.12	10.81	-61.15
C[N@@H+]1CCOC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001980744	1	45	0.0	-86.29	360.60	7.02	-79.27
C[N@H+]1CCOC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001980744	1	45	0.0	-86.47	360.58	7.01	-79.46
CC[NH+](CC)C(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001980746	0	56	0.0	-74.17	421.49	10.90	-63.27
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980755	1	48	0.0	-71.38	388.55	9.39	-61.99
C[NH+](C)C(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)C1=CC=C(Cl)C=C1	REAL300001980760	1	50	0.0	-77.59	414.06	10.67	-66.92
O=C([O-])CCCOC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1	REAL300001980773	0	54	0.0	-83.35	425.59	11.29	-72.06
O=C([O-])CCCOC1=CC=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=C1	REAL300001980780	0	57	0.0	-76.99	442.64	11.97	-65.02
C[NH+](C)CC1(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001980784	0	47	0.0	-77.14	371.69	8.38	-68.76
C[NH+](C)CCCCC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980793	0	49	0.0	-78.33	388.27	8.78	-69.55
CC(C)C(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+](C)C	REAL300001980802	0	49	0.0	-75.62	375.51	8.25	-67.37
O=C([O-])CCCOC1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=C1	REAL300001980815	0	57	0.0	-74.56	431.95	11.61	-62.95
O=C([O-])CCCOC1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=C1	REAL300001980815	1	57	0.0	-74.01	441.30	11.79	-62.22
CC1=C(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300001980817	1	48	0.0	-82.22	396.86	8.52	-73.70
O=C([O-])CCCOC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1	REAL300001980825	0	57	0.0	-83.65	442.34	12.00	-71.65
O=C([O-])CCCOC1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1	REAL300001980838	1	50	0.0	-80.84	406.32	8.75	-72.09
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C=C1	REAL300001980839	0	53	0.0	-85.08	423.27	10.98	-74.10
O=C([O-])CCCOC1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300001980852	1	55	0.0	-84.18	429.61	10.42	-73.76
O=C([O-])CCCOC1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300001980852	1	55	0.0	-84.60	429.61	10.42	-74.18
CCC[N@H+](C)CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980861	0	46	0.0	-76.91	361.86	8.06	-68.85
CCC[N@@H+](C)CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980861	1	46	0.0	-76.71	362.15	8.06	-68.65
C[N@H+](CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)C1CCC1	REAL300001980883	0	47	0.0	-74.38	368.73	8.65	-65.73
C[N@@H+](CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)C1CCC1	REAL300001980883	1	47	0.0	-74.63	369.16	8.64	-65.99
C[N@H+](CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)CC(C)(C)C	REAL300001980912	0	52	0.0	-76.56	393.15	9.21	-67.35
C[N@@H+](CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)CC(C)(C)C	REAL300001980912	1	52	0.0	-76.36	392.85	9.23	-67.13
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980914	0	53	0.0	-80.57	422.06	11.08	-69.49
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980914	1	53	0.0	-80.91	421.76	11.09	-69.82
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980915	0	57	0.0	-78.40	450.84	7.26	-71.14
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980915	1	57	0.0	-79.40	450.85	7.29	-72.11
CC[C@@H](C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+](C)C	REAL300001980919	0	46	0.0	-72.64	351.18	7.72	-64.92
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001980921	0	51	0.0	-71.44	383.30	6.72	-64.72
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001980921	1	51	0.0	-71.32	393.01	6.93	-64.39
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980945	0	55	0.0	-78.28	426.35	10.41	-67.87
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001980945	1	55	0.0	-78.10	426.65	10.39	-67.71
O=C([O-])CCCOC1=CC=C(NC(=O)C23CCC[NH+]2CCC3)C=C1	REAL300001980955	0	48	0.0	-76.35	367.67	8.60	-67.75
O=C([O-])CCCOC1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C1	REAL300001980963	1	42	0.0	-81.45	353.07	10.17	-71.28
C[N@H+](CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)C1CCSC1	REAL300001980976	0	48	0.0	-81.48	381.83	8.91	-72.57
C[N@@H+](CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)C1CCSC1	REAL300001980976	1	48	0.0	-82.86	382.26	8.87	-73.99
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001980993	0	58	0.0	-76.71	432.87	7.44	-69.27
CC(C)N1CC[NH+](CCC(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001980993	1	58	0.0	-79.05	434.80	7.67	-71.38
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001980994	0	61	0.0	-73.87	459.48	8.64	-65.23
CC(C)N1CC[NH+](CCCC(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001980994	1	61	0.0	-78.30	455.80	8.43	-69.87
O=C([O-])CCCOC1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C=C1	REAL300001980995	0	51	0.0	-69.02	387.04	9.48	-59.54
O=C([O-])CCCOC1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C=C1	REAL300001980995	1	51	0.0	-72.13	378.96	9.19	-62.94
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C=N1	REAL300001980997	0	50	0.0	-83.23	407.23	8.15	-75.08
O=C([O-])CCCOC1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C=C1	REAL300001981008	0	56	0.0	-76.61	432.46	10.15	-66.46
O=C([O-])CCCOC1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C=C1	REAL300001981008	1	56	0.0	-76.79	432.40	10.15	-66.64
CC(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001981013	1	54	0.0	-77.05	421.20	11.03	-66.02
CC(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001981013	1	54	0.0	-76.47	418.62	11.14	-65.33
CCCC(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+](C)C	REAL300001981032	0	49	0.0	-74.78	377.13	8.89	-65.89
O=C([O-])CCCOC1=CC=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001981033	0	57	0.0	-81.19	445.80	11.81	-69.38
O=C([O-])CCCOC1=CC=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001981033	1	57	0.0	-82.29	448.48	11.87	-70.42
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)=N1	REAL300001981048	0	50	0.0	-87.27	407.31	8.18	-79.09
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981049	0	50	0.0	-70.31	402.63	8.11	-62.20
C[C@@H]1[C@H](C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC[N@@H+]1C	REAL300001981052	0	47	0.0	-79.39	358.60	7.66	-71.73
C[C@@H]1[C@H](C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC[N@H+]1C	REAL300001981052	1	47	0.0	-78.30	364.79	7.93	-70.37
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981054	1	51	0.0	-71.14	408.88	9.85	-61.29
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC[N@@H+]1C	REAL300001981057	0	50	0.0	-77.58	379.87	8.29	-69.29
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC[N@H+]1C	REAL300001981057	1	50	0.0	-77.09	385.15	8.67	-68.42
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)=NN1	REAL300001981059	1	51	0.0	-81.84	408.45	7.72	-74.12
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)=NN1	REAL300001981059	1	51	0.0	-82.00	408.84	7.73	-74.27
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)O1	REAL300001981066	1	48	0.0	-88.86	373.92	7.33	-81.53
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)O1	REAL300001981066	1	48	0.0	-88.14	373.69	7.32	-80.82
O=C([O-])CCCOC1=CC=C(NC(=O)C[NH+]2CCCC2)C=C1	REAL300001981076	0	44	0.0	-75.94	348.14	7.80	-68.14
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981078	1	42	0.0	-72.59	352.06	8.27	-64.32
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981080	0	51	0.0	-78.22	394.02	7.36	-70.86
CC1CC[NH+](CC(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001981099	0	50	0.0	-77.42	385.20	9.15	-68.27
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001981110	1	48	0.0	-85.68	378.10	7.66	-78.02
CC[N@H+]1CCOC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001981110	1	48	0.0	-85.12	377.54	7.66	-77.46
O=C([O-])CCCOC1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C1	REAL300001981147	0	57	0.0	-75.90	428.14	10.59	-65.31
O=C([O-])CCCOC1=CC=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C=C1	REAL300001981147	1	57	0.0	-78.07	428.21	10.51	-67.56
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981153	0	50	0.0	-79.34	386.20	9.00	-70.34
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981153	1	50	0.0	-75.45	384.83	8.68	-66.77
O=C([O-])CCCOC1=CC=C(NC(=O)C23CCC[NH+](CCC2)C3)C=C1	REAL300001981166	0	51	0.0	-76.25	380.34	8.83	-67.42
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981168	1	48	0.0	-80.35	370.89	4.70	-75.65
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981168	1	48	0.0	-81.84	369.07	4.81	-77.03
O=C([O-])CCCOC1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=C1	REAL300001981169	0	51	0.0	-70.66	390.64	9.62	-61.04
O=C([O-])CCCOC1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C=C1	REAL300001981169	1	51	0.0	-72.74	383.60	9.14	-63.60
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981176	0	54	0.0	-74.38	403.61	7.70	-66.68
CC[NH+](CC)CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981192	0	46	0.0	-74.98	358.73	7.99	-66.99
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001981194	0	53	0.0	-77.67	397.67	9.27	-68.40
O=C([O-])CCCOC1=CC=C(NC(=O)C23CC[NH+](CC2)C3)C=C1	REAL300001981275	0	45	0.0	-78.44	354.52	7.16	-71.28
CCC(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+](C)C	REAL300001981278	0	46	0.0	-74.12	355.63	8.15	-65.97
O=C([O-])CCCOC1=CC=C(NC(=O)C23CC[N@H+](C2)CCC3)C=C1	REAL300001981286	0	48	0.0	-77.29	364.20	7.89	-69.40
O=C([O-])CCCOC1=CC=C(NC(=O)C23CC[N@@H+](C2)CCC3)C=C1	REAL300001981286	1	48	0.0	-83.82	363.44	7.97	-75.85
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981331	0	50	0.0	-72.47	379.53	8.53	-63.94
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)=C1	REAL300001981332	0	50	0.0	-77.98	400.78	10.15	-67.83
O=C([O-])CCCOC1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001981333	0	57	0.0	-76.99	444.00	11.83	-65.16
O=C([O-])CCCOC1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001981333	1	57	0.0	-74.32	437.51	12.01	-62.31
C[NH+](C)C1(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CCC1	REAL300001981371	0	47	0.0	-80.08	353.74	8.13	-71.95
C#CC[NH+]1CCC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001981400	0	49	0.0	-81.16	391.68	9.45	-71.71
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981402	0	53	0.0	-71.92	403.79	9.67	-62.25
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981402	1	53	0.0	-73.40	394.54	9.44	-63.96
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981403	0	50	0.0	-65.00	393.48	10.37	-54.63
CC[NH+]1CCN(CCC(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001981405	0	55	0.0	-77.79	420.08	7.17	-70.62
CCN1CC[NH+](CCC(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001981405	1	55	0.0	-78.98	421.24	7.30	-71.68
CC(C)[N@H+](C)CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981406	0	46	0.0	-74.24	357.32	7.84	-66.40
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981406	1	46	0.0	-74.15	357.34	7.84	-66.31
CC(C)C(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+]1CCCCC1	REAL300001981407	0	56	0.0	-70.41	411.58	10.12	-60.29
C[NH+](C)C(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300001981408	1	50	0.0	-73.57	397.36	10.15	-63.42
O=C([O-])CCCOC1=CC=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001981412	0	55	0.0	-76.16	435.92	8.08	-68.08
O=C([O-])CCCOC1=CC=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300001981412	1	55	0.0	-76.11	435.79	8.06	-68.05
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981417	1	51	0.0	-70.79	408.07	9.81	-60.98
C[NH+](C)CC1=C(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)OC2=CC=CC=C21	REAL300001981419	0	53	0.0	-68.80	422.15	10.48	-58.32
O=C([O-])CCCOC1=CC=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1	REAL300001981425	0	54	0.0	-75.63	399.12	9.75	-65.88
O=C([O-])CCCOC1=CC=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1	REAL300001981425	1	54	0.0	-73.28	407.95	10.08	-63.20
CC[N@H+](CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)C1CC1	REAL300001981427	0	47	0.0	-72.73	367.84	8.47	-64.26
CC[N@@H+](CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)C1CC1	REAL300001981427	1	47	0.0	-72.46	367.42	8.45	-64.01
CC(C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+]1CCCCCC1	REAL300001981455	0	53	0.0	-73.06	393.71	9.43	-63.63
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981459	0	44	0.0	-72.53	348.37	7.60	-64.93
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981459	1	44	0.0	-75.04	342.87	7.19	-67.85
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981542	0	46	0.0	-75.70	361.85	6.36	-69.34
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)O1	REAL300001981544	0	53	0.0	-80.26	423.05	9.83	-70.43
O=C([O-])CCCOC1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C=C1	REAL300001981545	0	53	0.0	-76.96	413.96	9.98	-66.98
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(OCCCC(=O)[O-])C=C3)CC2)[NH+]=C1	REAL300001981547	1	56	0.0	-74.83	436.47	9.72	-65.11
C[N@H+](CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300001981548	1	50	0.0	-81.69	399.29	10.25	-71.44
C[N@@H+](CC(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300001981548	1	50	0.0	-81.57	399.57	10.23	-71.34
CC(C)[C@@H](C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1)[NH+](C)C	REAL300001981559	0	49	0.0	-74.02	370.88	8.67	-65.35
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)=NO1	REAL300001981605	1	46	0.0	-82.25	381.74	7.69	-74.56
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981609	0	57	0.0	-80.09	444.96	11.69	-68.40
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981609	1	57	0.0	-79.91	444.36	11.63	-68.28
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981622	0	50	0.0	-70.63	381.25	8.67	-61.96
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981622	1	50	0.0	-73.85	374.81	8.63	-65.22
C[NH+]1CCC(OCC(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001981645	0	51	0.0	-82.24	402.59	8.65	-73.59
O=C([O-])CCCOC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1	REAL300001981649	0	54	0.0	-82.17	428.76	10.34	-71.83
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001981835	0	53	0.0	-75.66	406.17	9.66	-66.00
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001981835	1	53	0.0	-69.84	400.18	9.85	-59.99
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981866	0	53	0.0	-72.78	407.51	9.84	-62.94
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(OCCCC(=O)[O-])C=C1	REAL300001981866	1	53	0.0	-74.73	397.05	9.74	-64.99
O=C([O-])CCCOC1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1	REAL300001981867	1	51	0.0	-80.26	396.61	5.81	-74.45
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001982092	0	53	0.0	-73.89	401.33	9.44	-64.45
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001982092	1	53	0.0	-68.90	395.33	9.61	-59.29
C[N@@H+]1CC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300001982093	0	47	0.0	-85.59	386.57	8.40	-77.19
C[N@H+]1CC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300001982093	1	47	0.0	-83.39	380.00	8.18	-75.21
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)N1	REAL300001982119	1	48	0.0	-71.80	392.87	7.95	-63.85
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)=C1	REAL300001982603	0	53	0.0	-78.68	423.27	10.99	-67.69
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C=C1	REAL300001982610	0	54	0.0	-83.05	430.56	9.93	-73.12
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001982746	0	47	0.0	-76.70	372.17	8.39	-68.31
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)CC1	REAL300001982750	0	53	0.0	-72.07	394.98	9.33	-62.74
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(OCCCC(=O)[O-])C=C3)=CN21	REAL300001982754	0	45	0.0	-72.97	374.22	9.93	-63.04
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001982815	0	56	0.0	-70.49	414.92	10.52	-59.97
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001982815	1	56	0.0	-75.19	423.85	10.34	-64.85
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001982816	0	50	0.0	-69.61	378.85	9.14	-60.47
CC[N@H+]1CCCC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001982816	1	50	0.0	-69.46	378.69	9.10	-60.36
C[N@@H+]1CCCC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001982821	0	47	0.0	-76.79	367.77	8.26	-68.53
C[N@H+]1CCCC(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001982821	1	47	0.0	-69.72	361.02	8.45	-61.27
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)O1	REAL300001982823	1	47	0.0	-83.25	387.20	8.46	-74.79
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001982829	0	56	0.0	-77.83	412.93	9.74	-68.09
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(OCCCC(=O)[O-])C=C2)C1	REAL300001982829	1	56	0.0	-77.88	412.66	9.78	-68.10
O=C([O-])CCCOC1=CC=C(NC(=O)C23CC(C2)CN3C2CC2)C=C1	REAL300001982832	0	49	0.0	-75.11	386.59	9.24	-65.87
O=C([O-])CCCOC1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300001982832	1	49	0.0	-74.86	373.60	9.29	-65.57
O=C([O-])CCCOC1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300001982832	1	49	0.0	-75.11	386.59	9.24	-65.87
O=C([O-])C1(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCC1	REAL300001983706	0	47	0.0	-78.46	358.35	9.90	-68.56
CC1=NC(C[NH+]2CCC(C(=O)NC3(C(=O)[O-])CCC3)CC2)=CS1	REAL300001984755	1	46	0.0	-79.01	366.09	7.71	-71.30
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300001984789	0	50	0.0	-83.12	391.62	9.45	-73.67
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300001984794	0	50	0.0	-81.21	392.42	11.81	-69.40
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300001984794	1	50	0.0	-82.48	392.34	11.79	-70.69
O=C([O-])C1(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCC1	REAL300001984878	0	40	0.0	-87.91	326.78	7.36	-80.55
O=C([O-])C1(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CCC1	REAL300001984895	0	48	0.0	-81.28	349.39	6.99	-74.29
CC[N@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCC2)C=C1)C(C)C	REAL300001984907	0	49	0.0	-83.69	364.35	9.81	-73.88
CC[N@@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCC2)C=C1)C(C)C	REAL300001984907	1	49	0.0	-84.74	355.09	9.39	-75.35
O=C([O-])C1(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCC1	REAL300001984921	0	44	0.0	-68.63	340.78	9.09	-59.54
O=C([O-])C1(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCC1	REAL300001984921	1	44	0.0	-68.42	342.40	9.18	-59.24
O=C([O-])C1(NC(=O)C2CC[NH+](C3CCSC3)CC2)CCC1	REAL300001984922	0	45	0.0	-79.04	342.80	8.59	-70.45
O=C(CC1([NH+]2CCOCC2)CCCC1)NC1(C(=O)[O-])CCC1	REAL300001984940	0	48	0.0	-70.41	334.16	6.34	-64.07
O=C([O-])C1(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCC1	REAL300001984947	0	50	0.0	-56.46	373.45	10.84	-45.62
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCC1	REAL300001984947	1	50	0.0	-73.81	381.19	10.78	-63.03
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCC1	REAL300001984981	0	44	0.0	-87.00	340.62	9.35	-77.65
O=C([O-])C1(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCC1	REAL300001984984	0	47	0.0	-76.47	357.27	10.07	-66.40
CCN1CCC([NH+]2CCC(C(=O)NC3(C(=O)[O-])CCC3)CC2)CC1	REAL300001984989	0	55	0.0	-75.41	392.42	7.67	-67.74
CC1C[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCC3)C=C2)CC(C)O1	REAL300001984994	1	51	0.0	-89.89	390.58	9.10	-80.79
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NC1(C(=O)[O-])CCC1	REAL300001985003	1	48	0.0	-83.09	365.11	8.92	-74.17
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NC1(C(=O)[O-])CCC1	REAL300001985003	1	48	0.0	-79.04	371.89	8.97	-70.07
CC1=C(C(=O)NC2(C(=O)[O-])CCC2)C=NN1C1=CC=[NH+]C=C1	REAL300001985016	1	38	0.0	-82.51	311.44	6.54	-75.97
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCC1	REAL300001985019	0	47	0.0	-87.34	357.37	10.06	-77.28
O=C([O-])C1(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCC1	REAL300001985030	1	45	0.0	-62.92	343.50	8.14	-54.78
O=C([O-])C1(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCC1	REAL300001985030	1	45	0.0	-84.29	351.69	8.36	-75.93
CC(C(=O)NC1(C(=O)[O-])CCC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300001985038	0	53	0.0	-62.47	395.77	11.16	-51.31
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CCC1	REAL300001985055	0	47	0.0	-68.20	365.72	5.33	-62.87
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CCC1	REAL300001985055	1	47	0.0	-71.36	365.73	5.33	-66.03
O=C([O-])C1(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCC1	REAL300001985061	0	52	0.0	-76.27	391.85	8.85	-67.42
CC(C)[NH+]1CCN(CCCC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300001985077	0	51	0.0	-74.55	369.29	6.32	-68.23
CC(C)N1CC[NH+](CCCC(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300001985077	1	51	0.0	-72.04	370.91	6.49	-65.55
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3(C(=O)[O-])CCC3)CC2)=C1	REAL300001985081	0	52	0.0	-71.62	391.76	8.71	-62.91
O=C([O-])C1(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CCC1	REAL300001985082	0	49	0.0	-72.06	370.36	8.05	-64.01
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCC1	REAL300001985085	0	46	0.0	-70.39	353.62	8.15	-62.24
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCC1	REAL300001985085	1	46	0.0	-71.11	353.53	8.05	-63.06
CC(C(=O)NC1(C(=O)[O-])CCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300001985088	1	44	0.0	-59.58	335.42	9.06	-50.52
CC(C(=O)NC1(C(=O)[O-])CCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300001985088	1	44	0.0	-62.80	332.34	9.19	-53.61
O=C([O-])C1(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CCC1	REAL300001985102	0	47	0.0	-75.79	360.41	9.84	-65.95
O=C([O-])C1(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CCC1	REAL300001985102	1	47	0.0	-75.55	361.14	9.83	-65.72
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCC1	REAL300001985111	0	47	0.0	-66.43	357.52	10.04	-56.39
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCC1	REAL300001985111	1	47	0.0	-62.56	358.82	10.09	-52.47
O=C([O-])C1(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CCC1	REAL300001985113	0	48	0.0	-72.17	368.11	7.46	-64.71
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCC2)CC1	REAL300001985125	1	47	0.0	-77.95	359.48	8.27	-69.68
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3(C(=O)[O-])CCC3)=C2)CC1	REAL300001985136	0	49	0.0	-75.62	374.38	7.64	-67.98
C[NH+]1CCN(CC2=CC=C(C(=O)NC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300001985137	0	49	0.0	-86.68	374.30	7.64	-79.04
CN1CC[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300001985137	1	49	0.0	-88.96	373.78	7.52	-81.44
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300001985138	0	50	0.0	-87.15	380.80	9.33	-77.82
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCC1	REAL300001985160	0	51	0.0	-92.26	388.95	7.37	-84.89
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCC1	REAL300001985162	0	47	0.0	-60.24	351.04	9.98	-50.26
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCC1	REAL300001985162	1	47	0.0	-60.28	351.03	9.97	-50.31
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCC3)=CC=C1N2	REAL300001985226	1	45	0.0	-85.80	350.24	8.66	-77.14
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCC3)=CC=C1N2	REAL300001985226	1	45	0.0	-85.32	350.45	8.62	-76.70
CC1=CC=C(N2CCC(C(=O)NC3(C(=O)[O-])CCC3)CC2)[NH+]=C1	REAL300001985256	1	46	0.0	-76.35	351.68	7.80	-68.55
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3(C(=O)[O-])CCC3)C=C2)CC1	REAL300001985259	0	52	0.0	-88.08	383.72	8.59	-79.49
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCC1	REAL300001985280	0	47	0.0	-71.13	359.50	9.77	-61.36
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCC1	REAL300001985280	1	47	0.0	-69.38	363.57	9.78	-59.60
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300001985293	0	48	0.0	-88.46	380.03	9.19	-79.27
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCC1	REAL300001985302	0	44	0.0	-82.73	342.38	8.35	-74.38
C[NH+](C)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300001985679	0	44	0.0	-88.40	345.60	7.98	-80.42
O=C([O-])C1(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CCC1	REAL300001985718	0	50	0.0	-73.46	377.27	10.58	-62.88
CC1C[N@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCC3)C=C2)CCO1	REAL300001985720	1	48	0.0	-90.83	369.80	8.42	-82.41
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCC3)C=C2)CCO1	REAL300001985720	1	48	0.0	-90.37	362.78	8.40	-81.97
CCCCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001986828	0	55	0.0	-73.50	421.49	11.45	-62.05
CCCCCC(NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C(=O)[O-]	REAL300001988126	1	47	0.0	-61.68	369.26	8.97	-52.71
CCCCCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300001988178	1	54	0.0	-73.90	429.46	9.20	-64.70
CCCCCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001988243	0	58	0.0	-77.37	454.74	11.03	-66.34
CCCCCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001988249	0	58	0.0	-77.61	455.54	13.35	-64.26
CCCCCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300001988249	1	58	0.0	-77.97	455.79	13.29	-64.68
CCCCCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300001988318	0	54	0.0	-76.07	386.90	9.46	-66.61
CCCCCC(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300001988320	0	54	0.0	-66.12	399.33	9.81	-56.31
CCCCCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300001988320	1	54	0.0	-64.74	399.09	9.85	-54.89
CCCCCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300001988378	0	48	0.0	-77.87	389.24	8.89	-68.98
CCCCCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300001988397	0	56	0.0	-77.17	412.64	8.48	-68.69
CCCCCC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300001988421	1	52	0.0	-73.71	399.19	7.80	-65.91
CCCCCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300001988422	0	57	0.0	-77.16	418.42	10.88	-66.28
CCCCCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300001988422	1	57	0.0	-77.07	427.61	11.32	-65.75
CCCCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001988439	0	52	0.0	-66.04	403.65	10.65	-55.39
CCCCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001988439	1	52	0.0	-66.07	404.26	10.68	-55.39
CCCCCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300001988440	0	53	0.0	-72.84	400.74	9.85	-62.99
CCCCCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300001988463	0	56	0.0	-65.16	397.31	8.16	-57.00
CCCCCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300001988466	0	51	0.0	-57.98	395.91	10.18	-47.80
CCCCCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300001988466	1	51	0.0	-57.81	395.70	10.19	-47.62
CCCCCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001988474	0	58	0.0	-68.15	444.32	12.33	-55.82
CCCCCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001988474	1	58	0.0	-70.14	444.31	12.32	-57.82
CCCCCC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300001988491	0	47	0.0	-75.23	374.04	7.89	-67.34
CCCCCC(NC(=O)CCC[NH+](CCC)CCC)C(=O)[O-]	REAL300001988498	0	56	0.0	-68.90	419.01	10.13	-58.77
CCCCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300001988516	0	52	0.0	-79.31	402.17	10.82	-68.49
CCCCCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300001988521	0	55	0.0	-72.29	420.40	11.61	-60.68
CCCCCC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300001988527	0	63	0.0	-70.26	455.79	9.15	-61.11
CCCCCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300001988534	1	59	0.0	-83.78	453.08	10.63	-73.15
CCCCCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001988543	1	56	0.0	-76.81	428.23	10.75	-66.06
CCCCCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001988543	1	56	0.0	-74.02	434.42	10.78	-63.24
CCCCCC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300001988557	1	46	0.0	-79.03	376.44	8.16	-70.87
CCCCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300001988560	0	55	0.0	-80.26	419.49	11.55	-68.71
CCCCCC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300001988571	1	48	0.0	-77.10	384.33	8.30	-68.80
CCCCCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001988572	0	51	0.0	-85.29	401.56	10.55	-74.74
CCCCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001988576	1	53	0.0	-73.63	407.88	10.06	-63.57
CCCCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300001988576	1	53	0.0	-55.68	407.08	10.10	-45.58
CCCCCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001988585	0	61	0.0	-55.84	453.53	12.62	-43.22
CCCCCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300001988615	0	51	0.0	-60.79	399.22	10.70	-50.09
CCCCCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300001988615	1	51	0.0	-61.12	399.81	10.72	-50.40
CCCCCC(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300001988616	0	55	0.0	-65.12	428.27	6.87	-58.25
CCCCCC(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300001988616	1	55	0.0	-66.27	429.06	6.82	-59.45
CCCCCC(NC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300001988619	0	49	0.0	-67.21	358.41	6.51	-60.70
CCCCCC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300001988619	1	49	0.0	-66.56	368.13	6.70	-59.86
CCCCCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001988624	0	60	0.0	-72.78	455.22	10.35	-62.43
CCCCCC[N@H+](C)CC(=O)NC(CCCCC)C(=O)[O-]	REAL300001988625	0	53	0.0	-60.12	404.65	9.97	-50.15
CCCCCC[N@@H+](C)CC(=O)NC(CCCCC)C(=O)[O-]	REAL300001988625	1	53	0.0	-58.97	403.81	10.00	-48.97
CCCCCC(NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300001988647	0	46	0.0	-60.14	361.43	8.50	-51.64
CCCCCC(NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300001988647	1	46	0.0	-60.23	359.57	8.48	-51.75
CCCCCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300001988657	0	56	0.0	-70.84	416.27	7.38	-63.46
CCCCCC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300001988657	1	56	0.0	-65.29	412.59	7.18	-58.11
CCCCCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300001988658	0	59	0.0	-68.41	437.52	8.25	-60.16
CCCCCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300001988658	1	59	0.0	-68.60	434.08	7.97	-60.63
CCCCCC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300001988660	0	48	0.0	-78.45	385.23	7.70	-70.75
CCCCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300001988663	0	60	0.0	-67.95	454.29	10.25	-57.70
CCCCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001988665	0	57	0.0	-68.86	433.72	9.55	-59.31
CCCCCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001988668	0	54	0.0	-66.34	410.49	9.90	-56.44
CCCCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300001988668	1	54	0.0	-68.92	416.90	9.55	-59.37
CCCCCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300001988673	1	52	0.0	-56.14	396.12	10.78	-45.36
CCCCCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300001988673	1	52	0.0	-59.18	395.96	10.77	-48.41
CCCCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001988692	0	55	0.0	-71.56	422.43	11.41	-60.15
CCCCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001988692	1	55	0.0	-71.34	423.04	11.42	-59.92
CCCCCC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001988703	0	48	0.0	-85.97	385.36	7.80	-78.17
CCCCCC(NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300001988704	0	48	0.0	-57.32	379.49	7.69	-49.63
CCCCCC(NC(=O)CC(C)N1C=C[NH+]=C1CC)C(=O)[O-]	REAL300001988705	1	49	0.0	-61.11	386.87	9.43	-51.68
CCCCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001988716	0	55	0.0	-67.21	422.21	11.67	-55.54
CCCCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300001988716	1	55	0.0	-68.51	428.19	11.53	-56.98
CCCCCC(NC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300001988720	0	49	0.0	-65.62	372.24	6.94	-58.68
CCCCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300001988721	0	56	0.0	-67.28	430.61	9.00	-58.28
CCCCCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300001988757	1	55	0.0	-79.49	418.46	9.64	-69.85
CCCCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300001988758	0	55	0.0	-60.95	406.15	10.19	-50.76
CCCCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300001988758	1	55	0.0	-65.50	405.42	10.12	-55.38
CCCCCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300001988783	0	57	0.0	-70.91	437.51	9.18	-61.73
CCCCCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300001988784	0	57	0.0	-78.21	436.81	8.94	-69.27
CCCCCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300001988784	1	57	0.0	-81.54	437.15	9.01	-72.53
CCCCCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300001988785	0	58	0.0	-79.15	440.25	10.57	-68.58
CCCCCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300001988863	0	59	0.0	-83.78	451.48	8.90	-74.88
CCCCCC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300001988867	0	48	0.0	-74.01	379.07	9.71	-64.30
CCCCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001988868	0	55	0.0	-64.52	421.83	11.46	-53.06
CCCCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300001988868	1	55	0.0	-63.29	421.76	11.46	-51.83
CCCCCC(NC(=O)CCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300001988909	0	53	0.0	-70.47	398.12	6.77	-63.70
CCCCCC(NC(=O)CC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300001988909	1	53	0.0	-64.87	399.53	6.87	-58.00
CCCCCC(NC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300001988915	1	49	0.0	-60.17	386.35	9.37	-50.80
CCCCCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001988961	1	53	0.0	-80.57	413.04	10.18	-70.39
CCCCCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300001988961	1	53	0.0	-80.58	413.83	10.18	-70.40
CCCCCC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300001989001	0	51	0.0	-73.66	395.90	9.16	-64.50
CCCCCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300001989002	1	54	0.0	-70.68	414.95	9.30	-61.38
CCCCCC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300001989003	1	48	0.0	-62.21	377.58	9.81	-52.40
CCCCCC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300001989003	1	48	0.0	-61.02	376.75	9.85	-51.17
CCCCCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300001989006	0	60	0.0	-80.68	446.85	10.14	-70.54
CCCCCC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300001989015	1	43	0.0	-76.62	359.39	7.69	-68.93
CCCCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001989042	0	55	0.0	-67.16	425.67	11.31	-55.85
CCCCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300001989042	1	55	0.0	-70.47	425.63	11.19	-59.28
CCCCCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001989059	0	56	0.0	-81.61	443.16	10.74	-70.87
CCCCCC(NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300001989070	0	49	0.0	-77.03	380.64	8.36	-68.67
CCCCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300001989074	0	52	0.0	-76.47	406.00	9.80	-66.67
CCCCCC(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300001989220	1	49	0.0	-59.16	374.47	5.46	-53.70
CCCCCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300001989375	0	45	0.0	-66.89	364.38	7.99	-58.90
CCCCCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300001989375	1	45	0.0	-79.30	365.27	7.94	-71.36
CCCCCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300001989716	0	51	0.0	-76.65	401.57	10.53	-66.12
CCCCCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300001989721	0	52	0.0	-80.65	408.03	9.55	-71.10
CCCCCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300001989793	0	58	0.0	-68.59	440.38	12.21	-56.38
CCCCCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001989795	1	56	0.0	-83.80	426.44	9.88	-73.92
CCCCCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300001989795	1	56	0.0	-82.78	426.48	9.88	-72.90
CCCCCC(NC(=O)C1=CN2C(=C[NH+]=C2C)C=C1)C(=O)[O-]	REAL300001989818	0	43	0.0	-65.38	352.51	9.49	-55.89
CCCCCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300001989855	0	54	0.0	-59.04	392.86	10.16	-48.88
CCCCCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300001989855	1	54	0.0	-54.05	390.80	10.08	-43.97
O=C([O-])C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1Cl	REAL300001990801	0	50	0.0	-79.61	405.58	11.61	-68.00
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CNC1=[NH+]C(C)=CC=C1C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999679	1	42	0.0	-49.22	364.52	8.79	-40.43
CCC[N@H+](C)CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999681	0	42	0.0	-53.28	354.68	9.02	-44.26
CCC[N@@H+](C)CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999681	1	42	0.0	-65.95	347.77	8.39	-57.56
C[N@H+](CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1)C1CCC1	REAL300001999690	0	43	0.0	-63.16	354.64	8.95	-54.21
C[N@@H+](CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1)C1CCC1	REAL300001999690	1	43	0.0	-63.51	354.60	8.93	-54.58
C[N@H+](CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1)CC(C)(C)C	REAL300001999700	0	48	0.0	-65.39	376.07	9.40	-55.99
C[N@@H+](CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1)CC(C)(C)C	REAL300001999700	1	48	0.0	-64.88	378.23	9.50	-55.38
CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1)[NH+](C)C	REAL300001999701	0	42	0.0	-61.69	338.71	7.98	-53.71
C[N@@H+]1CCCC(O)(CC(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300001999703	0	47	0.0	-63.03	369.02	7.10	-55.93
C[N@H+]1CCCC(O)(CC(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300001999703	1	47	0.0	-63.30	378.76	7.29	-56.01
CCCCCC[N@H+](C)CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999713	0	51	0.0	-67.03	412.26	10.73	-56.30
CCCCCC[N@@H+](C)CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999713	1	51	0.0	-67.09	412.27	10.73	-56.36
O=C([O-])C[C@H](NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC=C(Br)C=C1	REAL300001999721	1	38	0.0	-77.02	338.99	10.48	-66.54
O=C([O-])C[C@H](NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC=C(Br)C=C1	REAL300001999734	0	47	0.0	-47.79	370.73	10.30	-37.49
O=C([O-])C[C@H](NC(=O)C1CCCC2CCC[N@H+]21)C1=CC=C(Br)C=C1	REAL300001999734	1	47	0.0	-47.04	380.33	10.44	-36.60
C[C@@H]1[C@H](C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)CC[N@@H+]1C	REAL300001999748	0	43	0.0	-53.25	347.78	8.70	-44.55
C[C@@H]1[C@H](C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)CC[N@H+]1C	REAL300001999748	1	43	0.0	-71.86	351.03	8.21	-63.65
CC[C@@H]1[C@@H](C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)CC[N@@H+]1C	REAL300001999750	0	46	0.0	-70.81	364.80	8.66	-62.15
CC[C@@H]1[C@@H](C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)CC[N@H+]1C	REAL300001999750	1	46	0.0	-70.16	370.99	8.96	-61.20
CC1C[N@H+](C)CC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)O1	REAL300001999754	1	44	0.0	-80.98	359.99	7.67	-73.31
CC1C[N@@H+](C)CC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)O1	REAL300001999754	1	44	0.0	-78.87	360.52	8.08	-70.79
O=C([O-])C[C@H](NC(=O)C[NH+]1CCCC1)C1=CC=C(Br)C=C1	REAL300001999757	0	40	0.0	-52.00	339.40	8.65	-43.35
CC1=[NH+]C=CN1CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999759	1	38	0.0	-62.76	337.97	8.58	-54.18
CC(C[NH+]1CCOCC1)C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999760	0	47	0.0	-69.95	380.18	7.69	-62.26
CC1CC[NH+](CC(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300001999777	0	46	0.0	-66.30	371.25	9.45	-56.85
CC[N@@H+]1CCOC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300001999781	1	44	0.0	-41.69	363.97	8.59	-33.10
CC[N@H+]1CCOC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300001999781	1	44	0.0	-78.75	363.24	8.02	-70.73
C[N@@H+]1CCCC1CCC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999793	0	46	0.0	-72.97	375.92	9.47	-63.50
C[N@H+]1CCCC1CCC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999793	1	46	0.0	-59.20	376.86	9.74	-49.46
O=C([O-])C[C@H](NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC=C(Br)C=C1	REAL300001999798	0	47	0.0	-60.60	376.25	9.93	-50.67
O=C([O-])C[C@H](NC(=O)C1CCC2CCCC[N@H+]21)C1=CC=C(Br)C=C1	REAL300001999798	1	47	0.0	-62.37	369.20	9.45	-52.92
CC[NH+](CC)CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999805	0	42	0.0	-64.05	340.07	8.05	-56.00
CC(C)[NH+]1CCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300001999806	0	49	0.0	-72.01	387.68	9.82	-62.19
O=C([O-])C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1=CC=C(Br)C=C1	REAL300001999837	0	41	0.0	-61.33	347.05	8.17	-53.16
CCC(C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1)[NH+](C)C	REAL300001999840	0	42	0.0	-61.60	337.21	8.06	-53.54
O=C([O-])C[C@H](NC(=O)C12CC[N@H+](C1)CCC2)C1=CC=C(Br)C=C1	REAL300001999843	0	44	0.0	-63.28	356.92	8.84	-54.44
O=C([O-])C[C@H](NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC=C(Br)C=C1	REAL300001999843	1	44	0.0	-70.68	350.49	8.17	-62.51
CC1CCC(C)[NH+]1CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999861	0	46	0.0	-49.68	372.34	9.74	-39.94
C#CC[NH+]1CCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300001999886	0	45	0.0	-75.04	377.50	9.75	-65.29
CC(C)[N@H+](C)CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999887	0	42	0.0	-63.14	342.95	8.16	-54.98
CC(C)[N@@H+](C)CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999887	1	42	0.0	-63.23	342.96	8.16	-55.07
CC[N@H+](CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1)C1CC1	REAL300001999895	0	43	0.0	-50.45	356.32	10.03	-40.42
CC[N@@H+](CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1)C1CC1	REAL300001999895	1	43	0.0	-50.78	361.44	9.72	-41.06
CC(C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1)[NH+]1CCCCCC1	REAL300001999905	0	49	0.0	-61.01	377.24	9.44	-51.57
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999907	0	40	0.0	-51.62	341.28	8.66	-42.96
C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999907	1	40	0.0	-48.70	335.21	8.31	-40.39
CC(C)(C)[NH2+]CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999938	0	42	0.0	-64.15	347.49	6.69	-57.46
O=C([O-])C[C@H](NC(=O)CCCC[NH+]1CCCC1)C1=CC=C(Br)C=C1	REAL300001999939	0	49	0.0	-71.77	399.69	10.25	-61.52
C[NH+](C)CC1=CC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)=NO1	REAL300001999960	1	42	0.0	-73.39	373.60	8.63	-64.76
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999967	0	46	0.0	-60.98	370.43	9.15	-51.83
CC(C)[N@H+]1CCCC1C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300001999967	1	46	0.0	-58.01	356.42	10.55	-47.46
C[NH+]1CCC(OCC(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300001999976	0	47	0.0	-77.90	388.50	9.06	-68.84
CCC[N@@H+]1CCCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300002000034	0	49	0.0	-59.78	386.08	10.17	-49.61
CCC[N@H+]1CCCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300002000034	1	49	0.0	-57.64	399.42	10.64	-47.00
O=C([O-])C[C@H](NC(=O)C[NH+]1CCC(CO)CC1)C1=CC=C(Br)C=C1	REAL300002000045	1	47	0.0	-66.88	382.10	6.14	-60.74
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300002000109	0	49	0.0	-66.32	387.06	9.72	-56.60
CC(C)[N@H+]1CCCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300002000109	1	49	0.0	-49.33	387.89	10.59	-38.74
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)N1	REAL300002000120	1	44	0.0	-63.99	378.77	8.26	-55.73
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300002000325	0	43	0.0	-69.86	358.27	8.69	-61.17
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300002000329	0	49	0.0	-50.05	387.54	10.29	-39.76
CC[N@@H+]1CCCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300002000351	0	46	0.0	-67.34	370.55	9.24	-58.10
CC[N@H+]1CCCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300002000351	1	46	0.0	-59.98	364.32	9.44	-50.54
C[N@@H+]1CCCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300002000355	0	43	0.0	-69.35	352.90	8.59	-60.76
C[N@H+]1CCCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300002000355	1	43	0.0	-57.96	359.90	9.28	-48.68
C[NH+](C)CC1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Br)C=C2)O1	REAL300002000357	1	43	0.0	-78.47	373.08	8.77	-69.70
O=C([O-])C[C@H](NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=C(Br)C=C1	REAL300002000360	0	45	0.0	-57.08	367.49	10.16	-46.92
O=C([O-])C[C@H](NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=C(Br)C=C1	REAL300002000360	1	45	0.0	-58.78	373.18	10.11	-48.67
O=C([O-])C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=C(Cl)C=C1	REAL300002002221	0	47	0.0	-71.78	373.65	9.73	-62.05
CC1=[NH+]C=C2CCC(C(=O)N[C@@H](CC(=O)[O-])C3=CC=C(Cl)C=C3)CN12	REAL300002002245	1	45	0.0	-63.72	371.99	9.57	-54.15
CC(C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Cl)C=C1)N1CC[NH+](C)CC1	REAL300002002308	1	48	0.0	-61.20	381.62	7.31	-53.89
C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002002338	0	43	0.0	-45.27	352.45	9.36	-35.91
C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002002338	1	43	0.0	-63.83	336.29	8.28	-55.55
C[NH+]1CCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300002002399	0	43	0.0	-74.85	348.62	8.49	-66.36
O=C([O-])C[C@H](NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=C(Cl)C=C1	REAL300002002426	0	38	0.0	-70.47	333.98	10.34	-60.13
C[NH+](C)CC1(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)CCCCC1	REAL300002002454	0	52	0.0	-69.91	380.86	12.43	-57.48
C[N@H+](CCC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCCC1	REAL300002002458	0	52	0.0	-57.18	409.36	11.12	-46.06
C[N@@H+](CCC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCCC1	REAL300002002458	1	52	0.0	-70.60	402.33	10.42	-60.18
C[N@@H+]1CCCC1C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002002471	0	40	0.0	-50.87	336.61	8.47	-42.40
C[N@H+]1CCCC1C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002002471	1	40	0.0	-46.76	330.69	8.20	-38.56
C[NH+]1CCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300002002516	0	43	0.0	-74.85	348.62	8.49	-66.36
O=C([O-])C[C@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=C(Cl)C=C1	REAL300002002519	0	46	0.0	-79.71	392.76	9.46	-70.25
O=C([O-])C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=CC=C(Cl)C=C1	REAL300002002530	0	54	0.0	-77.62	415.94	9.15	-68.47
CC1=[NH+]C=CN1CCCC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002002560	1	44	0.0	-67.79	374.96	9.78	-58.01
O=C([O-])C[C@H](NC(=O)CCCC[NH+]1CCOCC1)C1=CC=C(Cl)C=C1	REAL300002002561	1	50	0.0	-75.06	402.07	8.42	-66.64
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002002565	0	40	0.0	-65.51	323.94	7.39	-58.12
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002002565	1	40	0.0	-53.85	337.11	8.56	-45.29
O=C([O-])C[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(Cl)C=C1	REAL300002002598	0	50	0.0	-60.19	415.68	11.95	-48.24
O=C([O-])C[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(Cl)C=C1	REAL300002002598	1	50	0.0	-59.20	415.84	11.97	-47.23
O=C([O-])C[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=CC=C(Cl)C=C1	REAL300002002599	0	51	0.0	-78.26	404.01	10.50	-67.76
O=C([O-])C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=CC=C(Cl)C=C1	REAL300002002621	0	54	0.0	-56.00	408.26	9.51	-46.49
CCC(C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Cl)C=C1)[NH+](CC)CC	REAL300002002625	0	48	0.0	-58.43	368.93	9.32	-49.11
CC(C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Cl)C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002002627	0	49	0.0	-66.53	398.31	10.89	-55.64
CC(C(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Cl)C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002002627	1	49	0.0	-66.64	398.71	10.86	-55.78
C[NH+](C)CC1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300002002646	0	45	0.0	-76.86	377.94	8.50	-68.36
CCC[NH+](CCC)CCCC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002002649	0	54	0.0	-70.89	422.17	10.80	-60.09
C[N@@H+]1CCOC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300002002651	1	41	0.0	-69.82	333.93	7.15	-62.67
C[N@H+]1CCOC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300002002651	1	41	0.0	-62.81	347.91	7.95	-54.86
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H](CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002002658	1	44	0.0	-61.63	369.63	9.60	-52.03
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C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300002004166	0	49	0.0	-50.19	382.97	10.19	-40.00
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H](CC(=O)[O-])C3=CC=C(Cl)C=C3)=CN12	REAL300002004170	0	41	0.0	-59.08	362.48	10.80	-48.28
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300002004219	0	52	0.0	-67.12	404.93	10.58	-56.54
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300002004219	1	52	0.0	-67.14	405.23	10.53	-56.61
CC[N@@H+]1CCCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300002004220	0	46	0.0	-67.52	365.99	9.14	-58.38
CC[N@H+]1CCCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300002004220	1	46	0.0	-48.68	365.99	10.00	-38.68
C[N@@H+]1CCCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300002004225	0	43	0.0	-69.48	348.34	8.49	-60.99
C[N@H+]1CCCC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300002004225	1	43	0.0	-58.13	355.34	9.17	-48.96
C[NH+](C)CC1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(Cl)C=C2)O1	REAL300002004227	1	43	0.0	-78.58	368.52	8.67	-69.91
O=C([O-])C[C@H](NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=C(Cl)C=C1	REAL300002004235	0	45	0.0	-57.26	362.92	10.07	-47.19
O=C([O-])C[C@H](NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=C(Cl)C=C1	REAL300002004235	1	45	0.0	-58.95	368.61	10.00	-48.95
C[NH+](C)CC(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004647	1	30	0.0	-74.57	276.89	6.59	-67.98
C[N@@H+]1CCCCC1C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004648	1	37	0.0	-70.73	318.86	8.19	-62.54
C[N@H+]1CCCCC1C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004648	1	37	0.0	-70.68	319.08	8.17	-62.51
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004660	1	37	0.0	-64.07	319.04	8.18	-55.89
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004660	1	37	0.0	-70.14	309.60	7.98	-62.16
C[NH+]1CCC(C(=O)NC2=CC(I)=CC(C(=O)[O-])=C2)CC1	REAL300002004674	0	37	0.0	-80.53	322.07	8.22	-72.31
C[N@@H+]1CCCC1C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004699	1	34	0.0	-69.22	302.89	7.52	-61.70
C[N@H+]1CCCC1C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004699	1	34	0.0	-70.10	303.51	7.63	-62.47
C[C@@H](C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1)[NH+](C)C	REAL300002004737	0	33	0.0	-66.68	295.13	7.01	-59.67
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004738	1	34	0.0	-74.65	297.20	7.13	-67.52
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004738	1	34	0.0	-70.56	301.68	7.62	-62.94
C[C@H](C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1)[NH+](C)C	REAL300002004742	0	33	0.0	-72.82	294.95	7.01	-65.81
C[NH+](C)C1(C(=O)NC2=CC(I)=CC(C(=O)[O-])=C2)CC1	REAL300002004750	1	34	0.0	-68.52	299.77	7.81	-60.71
C[N@@H+]1CCOC(C(=O)NC2=CC(I)=CC(C(=O)[O-])=C2)C1	REAL300002004792	1	35	0.0	-87.35	314.86	6.94	-80.41
C[N@H+]1CCOC(C(=O)NC2=CC(I)=CC(C(=O)[O-])=C2)C1	REAL300002004792	1	35	0.0	-87.32	314.84	6.94	-80.38
C[NH+](C)CC1(C(=O)NC2=CC(I)=CC(C(=O)[O-])=C2)CC1	REAL300002004800	0	37	0.0	-69.97	322.92	8.41	-61.56
C[NH+](C)CCCCC(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004802	0	39	0.0	-79.84	342.25	8.72	-71.12
CC(C)C(C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1)[NH+](C)C	REAL300002004808	0	39	0.0	-69.55	322.80	8.15	-61.40
CCC[N@H+](C)CC(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004814	0	36	0.0	-73.20	316.41	7.99	-65.21
CCC[N@@H+](C)CC(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004814	1	36	0.0	-73.30	316.41	7.98	-65.32
C[N@H+](CC(=O)NC1=CC(I)=CC(C(=O)[O-])=C1)C1CCC1	REAL300002004819	0	37	0.0	-70.15	323.32	8.55	-61.60
C[N@@H+](CC(=O)NC1=CC(I)=CC(C(=O)[O-])=C1)C1CCC1	REAL300002004819	1	37	0.0	-71.17	323.42	8.57	-62.60
CC[C@@H](C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1)[NH+](C)C	REAL300002004825	0	36	0.0	-66.75	310.99	8.05	-58.70
CCCC(C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1)[NH+](C)C	REAL300002004853	0	39	0.0	-71.42	329.40	8.35	-63.07
C[C@@H]1[C@H](C(=O)NC2=CC(I)=CC(C(=O)[O-])=C2)CC[N@@H+]1C	REAL300002004857	0	37	0.0	-76.35	314.85	7.75	-68.60
C[C@@H]1[C@H](C(=O)NC2=CC(I)=CC(C(=O)[O-])=C2)CC[N@H+]1C	REAL300002004857	1	37	0.0	-79.06	318.64	8.21	-70.85
O=C([O-])C1=CC(NC(=O)C[NH+]2CCCC2)=CC(I)=C1	REAL300002004862	1	34	0.0	-72.71	301.15	7.59	-65.12
CC1=[NH+]C=CN1CC(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004863	1	32	0.0	-70.01	306.60	8.20	-61.81
CC[NH+](CC)CC(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004884	0	36	0.0	-71.34	308.67	7.65	-63.69
CCC(C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1)[NH+](C)C	REAL300002004896	0	36	0.0	-69.44	306.82	7.62	-61.82
CC(C)[N@H+](C)CC(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004918	0	36	0.0	-70.14	311.59	7.77	-62.37
CC(C)[N@@H+](C)CC(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004918	1	36	0.0	-70.78	311.60	7.76	-63.02
CC[N@H+](CC(=O)NC1=CC(I)=CC(C(=O)[O-])=C1)C1CC1	REAL300002004922	0	37	0.0	-69.51	325.76	8.60	-60.91
CC[N@@H+](CC(=O)NC1=CC(I)=CC(C(=O)[O-])=C1)C1CC1	REAL300002004922	1	37	0.0	-69.79	321.92	8.35	-61.44
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004927	1	34	0.0	-65.81	302.59	7.63	-58.18
C[N@H+]1CCC[C@H]1C(=O)NC1=CC(I)=CC(C(=O)[O-])=C1	REAL300002004927	1	34	0.0	-66.30	296.96	7.13	-59.17
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(I)=CC(C(=O)[O-])=C2)C1	REAL300002005139	0	37	0.0	-75.59	326.63	8.31	-67.28
C[N@@H+]1CCCC(C(=O)NC2=CC(I)=CC(C(=O)[O-])=C2)C1	REAL300002005148	0	37	0.0	-66.49	315.43	8.41	-58.08
C[N@H+]1CCCC(C(=O)NC2=CC(I)=CC(C(=O)[O-])=C2)C1	REAL300002005148	1	37	0.0	-74.92	321.51	8.18	-66.74
CC1=CC=C(C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])C=C1	REAL300002006229	0	53	0.0	-76.84	414.92	11.94	-64.90
CC1=CC=C(C(NC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1	REAL300002007565	0	47	0.0	-68.47	367.62	9.78	-58.69
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CC=C(C)C=C3)CN21	REAL300002007593	1	45	0.0	-62.72	361.63	9.38	-53.34
CC1=NC(C[NH+]2CCC(C(=O)NC(C(=O)[O-])C3=CC=C(C)C=C3)CC2)=CS1	REAL300002007659	1	52	0.0	-74.26	422.26	9.70	-64.56
CC1=CC=C(C(NC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300002007660	1	48	0.0	-68.53	364.72	6.54	-61.99
CC1=CC=C(C(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300002007732	0	56	0.0	-80.20	447.83	11.46	-68.74
CC1=CC=C(C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])C=C1	REAL300002007789	0	38	0.0	-70.45	323.53	10.20	-60.25
CC1=CC=C(C(NC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])C=C1	REAL300002007815	0	52	0.0	-55.43	373.93	10.06	-45.37
CC1=CC=C(C(NC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])C=C1	REAL300002007819	0	52	0.0	-65.40	392.16	10.31	-55.09
CC1=CC=C(C(NC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])C=C1	REAL300002007819	1	52	0.0	-66.55	392.40	10.22	-56.33
CC1=CC=C(C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(=O)[O-])C=C1	REAL300002007879	0	46	0.0	-83.18	383.23	9.29	-73.89
CC1=CC=C(C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C(=O)[O-])C=C1	REAL300002007895	0	54	0.0	-77.43	405.70	8.92	-68.51
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300002007922	1	44	0.0	-67.82	364.98	9.55	-58.27
CC1=CC=C(C(NC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300002007923	1	50	0.0	-75.08	392.26	8.23	-66.85
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C=C1)C(C)C	REAL300002007924	0	55	0.0	-80.56	417.15	11.58	-68.98
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C=C1)C(C)C	REAL300002007924	1	55	0.0	-83.76	412.29	11.49	-72.27
CC1=CC=C(C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300002007943	0	50	0.0	-67.28	397.57	11.03	-56.25
CC1=CC=C(C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300002007943	1	50	0.0	-67.50	397.55	11.05	-56.45
CC1=CC=C(C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C(=O)[O-])C=C1	REAL300002007944	0	51	0.0	-75.55	397.51	10.60	-64.95
CC1=CC=C(C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C(=O)[O-])C=C1	REAL300002007972	0	54	0.0	-67.08	386.29	8.35	-58.73
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1)[NH+](CC)CC	REAL300002007976	0	48	0.0	-54.30	360.12	8.95	-45.35
CC1=CC=C(C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300002007978	0	49	0.0	-60.49	388.71	10.72	-49.77
CC1=CC=C(C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300002007978	1	49	0.0	-60.43	388.55	10.70	-49.73
CC1=CC=C(C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300002007986	0	56	0.0	-70.51	437.02	12.74	-57.77
CC1=CC=C(C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300002007986	1	56	0.0	-68.77	437.03	12.74	-56.03
CC1=CC=C(C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])C=C1	REAL300002008000	0	45	0.0	-80.12	367.92	8.66	-71.46
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300002008008	0	54	0.0	-69.28	412.08	10.55	-58.73
CC1=CC=C(C(NC(=O)CN2C=C[NH+]=C2C(C)C)C(=O)[O-])C=C1	REAL300002008016	1	44	0.0	-56.76	359.38	9.45	-47.31
CC1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(=O)[O-])C=C1	REAL300002008031	0	50	0.0	-84.19	396.95	11.30	-72.89
CC1=CC=C(C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(=O)[O-])C=C1	REAL300002008036	0	53	0.0	-76.36	413.68	11.98	-64.38
CCN1CCC([NH+]2CCC(C(=O)NC(C(=O)[O-])C3=CC=C(C)C=C3)CC2)CC1	REAL300002008041	0	61	0.0	-69.52	444.62	9.43	-60.09
CC1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C(=O)[O-])C=C1	REAL300002008047	1	57	0.0	-86.61	447.04	11.02	-75.59
CC1=CC=C(C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C=C1	REAL300002008058	1	54	0.0	-77.56	420.91	11.17	-66.39
CC1=CC=C(C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C=C1	REAL300002008058	1	54	0.0	-78.57	428.10	11.24	-67.33
CC1=C(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002008074	1	44	0.0	-80.51	369.13	8.57	-71.94
CC1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])C=C1	REAL300002008077	0	53	0.0	-84.36	413.42	11.94	-72.42
CC1=CC=C(C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])C=C1	REAL300002008088	1	46	0.0	-77.89	376.77	8.79	-69.10
CC1=CC=C(C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300002008089	0	49	0.0	-87.91	394.41	11.05	-76.86
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300002008095	1	42	0.0	-58.84	343.26	7.72	-51.12
CC1=CC=C(C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C=C1	REAL300002008096	1	51	0.0	-69.60	408.09	10.65	-58.95
CC1=CC=C(C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C=C1	REAL300002008096	1	51	0.0	-75.75	408.05	10.65	-65.10
CC1=CC=C(C(NC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)C(=O)[O-])C=C1	REAL300002008105	0	59	0.0	-58.77	452.24	13.11	-45.66
CC1=CC=C(C(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])C=C1	REAL300002008143	0	48	0.0	-58.47	363.64	9.12	-49.35
CC1=CC=C(C(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-])C=C1	REAL300002008143	1	48	0.0	-57.33	363.55	9.26	-48.07
CC1=CC=C(C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300002008145	0	49	0.0	-61.59	393.11	11.08	-50.51
CC1=CC=C(C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300002008145	1	49	0.0	-61.59	393.15	11.08	-50.51
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300002008146	0	53	0.0	-65.86	422.12	7.27	-58.59
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300002008146	1	53	0.0	-68.59	422.17	7.26	-61.33
CC1=CC=C(C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300002008149	0	47	0.0	-68.05	361.46	7.06	-60.99
CC1=CC=C(C(NC(=O)CC2(O)CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300002008149	1	47	0.0	-63.81	364.32	6.99	-56.82
CC1=CC=C(C(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(=O)[O-])C=C1	REAL300002008157	0	58	0.0	-74.15	448.28	10.78	-63.37
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300002008159	0	51	0.0	-59.93	397.71	10.40	-49.53
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300002008159	1	51	0.0	-59.95	397.69	10.40	-49.55
CC1=CC=C(C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])C=C1	REAL300002008172	1	38	0.0	-78.33	324.40	10.16	-68.17
CC1=CC=C(C(NC(=O)C[N@@H+](C)C2CCSC2)C(=O)[O-])C=C1	REAL300002008188	0	44	0.0	-62.52	354.74	8.87	-53.65
CC1=CC=C(C(NC(=O)C[N@H+](C)C2CCSC2)C(=O)[O-])C=C1	REAL300002008188	1	44	0.0	-61.44	353.09	8.94	-52.50
CC1=CC=C(C(NC(=O)CCN2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300002008201	0	54	0.0	-70.38	409.07	7.88	-62.50
CC1=CC=C(C(NC(=O)CC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])C=C1	REAL300002008201	1	54	0.0	-64.84	405.03	7.65	-57.19
CC1=CC=C(C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300002008202	0	57	0.0	-72.14	430.84	8.62	-63.52
CC1=CC=C(C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])C=C1	REAL300002008202	1	57	0.0	-69.74	427.13	8.40	-61.34
CC1=CC=C(C(NC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])C=C1	REAL300002008203	0	47	0.0	-57.44	350.43	9.28	-48.16
CC1=CC=C(C(NC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])C=C1	REAL300002008203	1	47	0.0	-58.29	347.55	9.18	-49.11
CC1=CC=C(C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C(=O)[O-])C=C1	REAL300002008205	0	46	0.0	-81.70	378.06	8.20	-73.50
CC1=CC=C(C(NC(=O)CC[NH+]2CCN(C3=CC=CC(C)=C3)CC2)C(=O)[O-])C=C1	REAL300002008208	0	58	0.0	-68.75	447.96	10.71	-58.04
CC1=CC=C(C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C(=O)[O-])C=C1	REAL300002008210	0	55	0.0	-68.33	426.55	10.04	-58.29
CC1=CC=C(C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(=O)[O-])C=C1	REAL300002008212	0	52	0.0	-68.53	409.36	10.02	-58.51
CC1=CC=C(C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(=O)[O-])C=C1	REAL300002008212	1	52	0.0	-66.90	409.67	10.04	-56.86
CC1=CC=C(C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300002008217	1	50	0.0	-59.40	388.99	11.20	-48.20
CC1=CC=C(C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300002008217	1	50	0.0	-58.63	392.22	11.08	-47.55
CC1=CC=C(C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300002008239	0	53	0.0	-73.87	418.58	11.87	-62.00
CC1=CC=C(C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300002008239	1	53	0.0	-73.38	416.91	11.80	-61.58
CC1=CC=C(C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300002008253	0	46	0.0	-87.53	378.65	8.16	-79.37
CC1=CC=C(C(NC(=O)C2=CC=NN2CC[NH+](C)C)C(=O)[O-])C=C1	REAL300002008254	0	46	0.0	-60.80	373.78	8.15	-52.65
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300002008255	1	47	0.0	-61.45	379.95	9.86	-51.59
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC[N@@H+]1C	REAL300002008258	0	46	0.0	-70.92	351.16	8.32	-62.60
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC[N@H+]1C	REAL300002008258	1	46	0.0	-62.32	354.79	8.92	-53.40
CC1=CC=C(C(NC(=O)C2C[N@@H+](C)CC(C)O2)C(=O)[O-])C=C1	REAL300002008267	1	44	0.0	-71.20	345.58	7.88	-63.32
CC1=CC=C(C(NC(=O)C2C[N@H+](C)CC(C)O2)C(=O)[O-])C=C1	REAL300002008267	1	44	0.0	-73.98	345.33	7.39	-66.59
CC1=CC=C(C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C(=O)[O-])C=C1	REAL300002008271	0	53	0.0	-67.54	415.26	12.09	-55.45
CC1=CC=C(C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C(=O)[O-])C=C1	REAL300002008271	1	53	0.0	-61.40	415.04	12.17	-49.23
CC1=CC=C(C(NC(=O)C(C)C[NH+]2CCOCC2)C(=O)[O-])C=C1	REAL300002008276	0	47	0.0	-66.38	365.28	7.36	-59.02
CC1=CC=C(C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C(=O)[O-])C=C1	REAL300002008277	0	54	0.0	-68.12	424.31	9.46	-58.66
CC1=CC=C(C(NC(=O)C[NH+]2CCC(C)CC2)C(=O)[O-])C=C1	REAL300002008286	0	46	0.0	-58.05	356.33	9.17	-48.88
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C1	REAL300002008299	1	44	0.0	-74.42	348.97	7.80	-66.62
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C1	REAL300002008299	1	44	0.0	-66.17	342.03	7.57	-58.60
CC1=CC=C(C(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)C(=O)[O-])C=C1	REAL300002008330	1	53	0.0	-74.99	415.54	10.27	-64.72
CC1=CC=C(C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])C=C1	REAL300002008331	0	53	0.0	-65.58	400.33	10.62	-54.96
CC1=CC=C(C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])C=C1	REAL300002008331	1	53	0.0	-66.33	398.69	10.56	-55.77
CC1=CC=C(C(NC(=O)CCC2CCC[N@H+]2C)C(=O)[O-])C=C1	REAL300002008337	0	46	0.0	-67.87	357.34	9.05	-58.82
CC1=CC=C(C(NC(=O)CCC2CCC[N@@H+]2C)C(=O)[O-])C=C1	REAL300002008337	1	46	0.0	-68.41	355.26	8.70	-59.71
CC1=CC=C(C(NC(=O)C2CCC3CCCC[N@@H+]32)C(=O)[O-])C=C1	REAL300002008348	0	47	0.0	-54.72	361.46	9.54	-45.18
CC1=CC=C(C(NC(=O)C2CCC3CCCC[N@H+]32)C(=O)[O-])C=C1	REAL300002008348	1	47	0.0	-58.63	355.38	9.20	-49.43
CC1=CC=C(C(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C(=O)[O-])C=C1	REAL300002008362	0	55	0.0	-77.05	430.53	9.63	-67.42
CC1=CC=C(C(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C(=O)[O-])C=C1	REAL300002008363	0	55	0.0	-83.70	430.75	9.57	-74.13
CC1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C(=O)[O-])C=C1	REAL300002008363	1	55	0.0	-85.12	430.25	9.44	-75.68
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C=C1	REAL300002008364	0	56	0.0	-82.92	433.34	11.02	-71.90
CC1=CC=C(C(NC(=O)C2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1	REAL300002008372	0	49	0.0	-70.46	369.00	9.33	-61.13
CC1=CC=C(C(NC(=O)C23CC[N@H+](C2)CCC3)C(=O)[O-])C=C1	REAL300002008442	0	44	0.0	-75.91	334.59	8.04	-67.87
CC1=CC=C(C(NC(=O)C23CC[N@@H+](C2)CCC3)C(=O)[O-])C=C1	REAL300002008442	1	44	0.0	-76.40	334.84	7.98	-68.42
CC1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C(=O)[O-])C=C1	REAL300002008476	0	57	0.0	-85.88	445.40	9.30	-76.58
CC1=CC=C(C(NC(=O)C[NH+]2C(C)CCC2C)C(=O)[O-])C=C1	REAL300002008482	0	46	0.0	-56.16	351.13	8.66	-47.50
CC1=CC=C(C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300002008483	0	46	0.0	-76.58	372.14	10.14	-66.44
CC1=CC=C(C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300002008484	0	53	0.0	-61.67	408.85	12.04	-49.63
CC1=CC=C(C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300002008484	1	53	0.0	-61.68	408.81	12.03	-49.65
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300002008533	0	45	0.0	-72.90	362.98	9.52	-63.38
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300002008535	0	51	0.0	-72.57	392.07	7.25	-65.32
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)CC1	REAL300002008535	1	51	0.0	-64.65	392.36	7.36	-57.29
CC1=CC=C(C(NC(=O)CCN2C=C[NH+]=C2C(C)C)C(=O)[O-])C=C1	REAL300002008542	1	47	0.0	-60.60	379.16	9.86	-50.74
CC1=CC=C(C(NC(=O)C(C)[NH+]2CCCCCC2)C(=O)[O-])C=C1	REAL300002008573	0	49	0.0	-55.31	364.00	9.06	-46.25
CC1=CC=C(C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C(=O)[O-])C=C1	REAL300002008606	1	51	0.0	-84.49	406.96	10.57	-73.92
CC1=CC=C(C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C(=O)[O-])C=C1	REAL300002008606	1	51	0.0	-83.88	406.90	10.62	-73.26
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)O1	REAL300002008650	0	49	0.0	-75.66	393.83	9.83	-65.83
CC1=CC=C(C(NC(=O)CCCC[NH+]2CCCC2)C(=O)[O-])C=C1	REAL300002008651	0	49	0.0	-71.87	385.08	10.02	-61.85
CC1=CC=C(C(NC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)C(=O)[O-])C=C1	REAL300002008653	1	52	0.0	-70.95	407.81	9.79	-61.16
CC1=CC=C(C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300002008654	1	46	0.0	-61.40	370.43	10.31	-51.09
CC1=CC=C(C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300002008654	1	46	0.0	-61.93	370.68	10.23	-51.70
CC1=CC=C(C(NC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)C(=O)[O-])C=C1	REAL300002008658	0	58	0.0	-84.19	440.13	10.52	-73.67
CC1=CC=C(C(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])C=C1	REAL300002008673	1	41	0.0	-78.96	353.05	8.15	-70.81
CC1=CC=C(C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300002008697	1	42	0.0	-80.34	352.11	7.61	-72.73
CC1=CC=C(C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])C=C1	REAL300002008701	0	53	0.0	-67.81	410.47	11.46	-56.35
CC1=CC=C(C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])C=C1	REAL300002008701	1	53	0.0	-68.84	412.98	11.55	-57.29
CC1=CC=C(C(NC(=O)C2CCC[N@H+]2C(C)C)C(=O)[O-])C=C1	REAL300002008719	0	46	0.0	-57.22	352.98	8.72	-48.50
CC1=CC=C(C(NC(=O)C2CCC[N@@H+]2C(C)C)C(=O)[O-])C=C1	REAL300002008719	1	46	0.0	-57.28	352.95	8.75	-48.53
CC1=CC=C(C(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300002008726	0	54	0.0	-84.37	436.26	11.18	-73.19
CC1=CC=C(C(NC(=O)COC2CC[NH+](C)CC2)C(=O)[O-])C=C1	REAL300002008739	0	47	0.0	-78.70	373.73	8.80	-69.90
CC1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(=O)[O-])C=C1	REAL300002008745	0	50	0.0	-77.03	398.45	10.28	-66.75
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C1	REAL300002008891	0	49	0.0	-64.07	377.10	9.70	-54.37
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C1	REAL300002008891	1	49	0.0	-65.82	377.11	9.70	-56.12
CC1=CC=C(C(NC(=O)C[NH+]2CCC(CO)CC2)C(=O)[O-])C=C1	REAL300002008919	1	47	0.0	-58.73	367.54	5.90	-52.83
CC1=CC=C(C(NC(=O)C2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300002009104	0	49	0.0	-62.99	372.27	9.48	-53.51
CC1=CC=C(C(NC(=O)C2CCC[N@H+](C(C)C)C2)C(=O)[O-])C=C1	REAL300002009104	1	49	0.0	-57.97	366.63	9.64	-48.33
CC1=CC=C(C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(=O)[O-])C=C1	REAL300002009105	0	43	0.0	-72.53	344.55	9.12	-63.41
CC1=CC=C(C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C(=O)[O-])C=C1	REAL300002009105	1	43	0.0	-72.46	351.38	8.14	-64.32
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)N1	REAL300002009128	1	44	0.0	-61.46	364.25	7.93	-53.53
CC1=CC=C(C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(=O)[O-])C=C1	REAL300002009524	0	49	0.0	-79.31	394.40	11.04	-68.27
CC1=CC=C(C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])C=C1	REAL300002009532	0	50	0.0	-85.03	401.96	9.94	-75.09
CC1=CC=C(C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])C=C1	REAL300002009625	0	56	0.0	-72.27	433.45	12.65	-59.62
CC1=CC=C(C(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C(=O)[O-])C=C1	REAL300002009627	1	54	0.0	-85.54	419.48	10.30	-75.24
CC1=CC=C(C(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C(=O)[O-])C=C1	REAL300002009627	1	54	0.0	-85.87	419.34	10.37	-75.50
CC1=CC=C(C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(=O)[O-])C=C1	REAL300002009657	0	49	0.0	-56.85	364.68	9.37	-47.48
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3=CC=C(C)C=C3)=CN21	REAL300002009661	0	41	0.0	-66.85	345.32	10.00	-56.85
CC1=CC=C(C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)C(=O)[O-])C=C1	REAL300002009711	0	52	0.0	-66.43	395.15	10.43	-56.00
CC1=CC=C(C(NC(=O)C2CCC[N@H+](CC(C)C)C2)C(=O)[O-])C=C1	REAL300002009711	1	52	0.0	-56.97	386.18	10.52	-46.45
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C1	REAL300002009712	0	46	0.0	-66.20	356.22	8.92	-57.28
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C=C2)C1	REAL300002009712	1	46	0.0	-66.30	356.20	8.91	-57.39
CC1=CC=C(C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C(=O)[O-])C=C1	REAL300002009718	1	43	0.0	-78.74	357.46	8.35	-70.39
CC1=CC=C(C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(=O)[O-])C=C1	REAL300002009726	0	45	0.0	-62.36	359.64	9.29	-53.07
CC1=CC=C(C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(=O)[O-])C=C1	REAL300002009726	1	45	0.0	-63.74	350.80	10.05	-53.69
COCC(C)(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002010737	0	50	0.0	-78.45	379.90	8.97	-69.48
COCC(C)(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300002011979	1	49	0.0	-79.13	387.36	6.73	-72.40
COCC(C)(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002012023	0	53	0.0	-83.10	412.89	8.49	-74.61
COCC(C)(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002012028	0	53	0.0	-81.09	413.67	10.84	-70.25
COCC(C)(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002012028	1	53	0.0	-79.88	413.67	10.85	-69.03
COCC(C)(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300002012089	0	49	0.0	-52.16	345.15	7.06	-45.10
COCC(C)(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002012091	0	49	0.0	-69.13	357.23	7.35	-61.78
COCC(C)(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002012091	1	49	0.0	-68.42	357.23	7.33	-61.09
COCC(C)(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002012143	0	43	0.0	-83.06	347.96	6.39	-76.67
COCC(C)(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002012162	0	51	0.0	-71.31	364.01	5.77	-65.54
COCC(C)(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300002012183	1	47	0.0	-77.26	357.09	5.34	-71.92
CC[N@H+](CC1=CC=C(C(=O)NC(C)(COC)C(=O)[O-])C=C1)C(C)C	REAL300002012184	0	52	0.0	-85.64	378.12	8.71	-76.93
CC[N@@H+](CC1=CC=C(C(=O)NC(C)(COC)C(=O)[O-])C=C1)C(C)C	REAL300002012184	1	52	0.0	-82.38	376.30	8.44	-73.94
COCC(C)(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002012199	0	47	0.0	-68.98	362.01	8.12	-60.86
COCC(C)(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002012199	1	47	0.0	-69.17	363.80	8.22	-60.95
COCC(C)(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002012200	0	48	0.0	-78.82	362.62	7.63	-71.19
COCC(C)(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002012221	0	51	0.0	-69.46	355.54	5.38	-64.08
COCC(C)(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002012224	0	46	0.0	-60.02	352.70	7.67	-52.35
COCC(C)(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002012224	1	46	0.0	-59.68	352.17	7.65	-52.03
COCC(C)(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002012231	0	53	0.0	-71.42	402.47	9.79	-61.63
COCC(C)(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002012231	1	53	0.0	-62.57	396.22	9.93	-52.64
CCC[NH+](CCC)CCCC(=O)NC(C)(COC)C(=O)[O-]	REAL300002012251	0	51	0.0	-71.82	376.90	7.67	-64.15
COCC(C)(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002012266	0	47	0.0	-85.10	360.89	8.33	-76.77
COCC(C)(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002012271	0	50	0.0	-75.94	378.53	9.11	-66.83
CCN1CCC([NH+]2CCC(C(=O)NC(C)(COC)C(=O)[O-])CC2)CC1	REAL300002012277	0	58	0.0	-72.42	409.74	6.46	-65.96
COCC(C)(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300002012283	1	54	0.0	-89.50	411.80	8.14	-81.36
COCC(C)(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002012293	1	51	0.0	-82.11	386.37	7.96	-74.15
COCC(C)(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002012293	1	51	0.0	-81.04	386.38	7.96	-73.08
COCC(C)(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002012307	1	41	0.0	-82.77	332.97	5.54	-77.23
COCC(C)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002012310	0	50	0.0	-85.88	378.21	9.06	-76.82
COCC(C)(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300002012320	1	43	0.0	-80.03	342.22	5.88	-74.15
COCC(C)(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002012321	0	46	0.0	-90.54	359.45	8.10	-82.44
COCC(C)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002012324	1	48	0.0	-77.32	365.73	7.19	-70.13
COCC(C)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002012324	1	48	0.0	-60.39	363.73	7.21	-53.18
COCC(C)(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002012332	0	56	0.0	-58.69	411.67	10.01	-48.68
COCC(C)(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002012357	0	46	0.0	-63.64	357.95	8.11	-55.53
COCC(C)(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002012357	1	46	0.0	-63.51	357.95	8.11	-55.40
COCCOCC[N@H+](C)CCC(=O)NC(C)(COC)C(=O)[O-]	REAL300002012358	0	50	0.0	-67.76	386.95	4.36	-63.40
COCCOCC[N@@H+](C)CCC(=O)NC(C)(COC)C(=O)[O-]	REAL300002012358	1	50	0.0	-68.95	387.00	4.37	-64.58
COCC(C)(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002012364	0	55	0.0	-75.60	413.12	7.89	-67.71
COCC(C)(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002012391	0	51	0.0	-75.01	374.16	4.92	-70.09
COCC(C)(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002012391	1	51	0.0	-67.97	370.48	4.72	-63.25
COCC(C)(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002012392	0	54	0.0	-72.67	395.67	5.73	-66.94
COCC(C)(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002012392	1	54	0.0	-71.42	391.98	5.51	-65.91
COCC(C)(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300002012396	0	55	0.0	-71.67	413.02	7.75	-63.92
COCC(C)(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002012398	0	52	0.0	-71.37	391.62	7.08	-64.29
COCC(C)(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002012401	0	49	0.0	-66.00	365.81	7.21	-58.79
COCC(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002012401	1	49	0.0	-71.02	374.79	7.08	-63.94
COCC(C)(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002012405	1	47	0.0	-61.85	353.86	8.23	-53.62
COCC(C)(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002012405	1	47	0.0	-61.82	353.85	8.23	-53.59
COCC(C)(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002012422	0	50	0.0	-75.53	383.85	8.93	-66.60
COCC(C)(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002012422	1	50	0.0	-75.58	384.28	8.96	-66.62
COCC(C)(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002012439	0	50	0.0	-65.86	377.24	9.04	-56.82
COCC(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002012439	1	50	0.0	-71.20	386.33	8.99	-62.21
COCC(C)(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002012441	0	51	0.0	-71.10	389.35	6.50	-64.60
COCC(C)(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002012465	1	50	0.0	-82.14	376.36	7.17	-74.97
COCC(C)(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002012466	0	50	0.0	-67.61	364.30	7.64	-59.97
COCC(C)(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002012466	1	50	0.0	-68.80	363.46	7.60	-61.20
COCC(C)(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300002012484	0	52	0.0	-74.89	395.65	6.68	-68.21
COCC(C)(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002012485	0	52	0.0	-84.35	394.70	6.50	-77.85
COCC(C)(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300002012485	1	52	0.0	-86.60	395.05	6.56	-80.04
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300002012486	0	53	0.0	-84.08	398.13	8.12	-75.96
COCC(C)(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002012541	0	54	0.0	-89.50	410.20	6.42	-83.08
COCC(C)(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002012543	0	50	0.0	-66.19	379.93	8.93	-57.26
COCC(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002012543	1	50	0.0	-67.47	379.91	8.93	-58.54
CC[NH+]1CCN(CCC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300002012580	0	48	0.0	-75.24	356.26	4.25	-70.99
CCN1CC[NH+](CCC(=O)NC(C)(COC)C(=O)[O-])CC1	REAL300002012580	1	48	0.0	-67.51	357.42	4.40	-63.11
COCC(C)(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002012624	1	48	0.0	-84.89	371.76	7.70	-77.19
COCC(C)(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002012624	1	48	0.0	-85.09	371.96	7.66	-77.43
CC[NH+](CC)CC1=CC=C(C(=O)NC(C)(COC)C(=O)[O-])O1	REAL300002012663	0	46	0.0	-80.46	359.16	6.96	-73.50
COCC(C)(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300002012664	1	49	0.0	-74.23	372.85	6.83	-67.40
COCC(C)(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300002012667	0	55	0.0	-87.84	404.97	7.61	-80.23
COCC(C)(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002012674	1	38	0.0	-80.94	318.10	5.22	-75.72
COCC(C)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002012698	0	50	0.0	-71.82	379.93	8.68	-63.14
COCC(C)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002012698	1	50	0.0	-72.35	383.56	8.77	-63.58
COCC(C)(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002012713	0	51	0.0	-87.50	401.30	8.24	-79.26
COCC(C)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002012726	0	47	0.0	-81.57	363.90	7.37	-74.20
COCC(C)(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002012980	0	40	0.0	-77.16	308.18	4.99	-72.17
COCC(C)(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002012980	1	40	0.0	-66.95	309.81	5.83	-61.12
COCC(C)(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300002013273	0	46	0.0	-80.13	359.46	8.08	-72.05
COCC(C)(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002013276	0	47	0.0	-86.79	366.74	7.05	-79.74
COCC(C)(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002013337	0	53	0.0	-71.39	398.52	9.61	-61.78
COCC(C)(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002013339	1	51	0.0	-87.82	384.33	7.43	-80.39
COCC(C)(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002013339	1	51	0.0	-88.90	384.31	7.43	-81.47
COCC(C)(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300002013387	0	49	0.0	-56.07	350.91	7.48	-48.59
COCC(C)(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300002013387	1	49	0.0	-66.00	359.97	7.46	-58.54
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1Cl	REAL300002014780	0	48	0.0	-76.77	401.70	10.98	-65.79
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1Cl	REAL300002014780	1	48	0.0	-76.44	394.17	10.41	-66.03
O=C([O-])COC1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C1Cl	REAL300002015560	0	45	0.0	-77.75	369.85	9.36	-68.39
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=C1Cl	REAL300002015585	1	42	0.0	-70.85	348.82	8.61	-62.24
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@H+]2C2CC2)C=C1Cl	REAL300002015585	1	42	0.0	-75.15	347.06	8.16	-66.99
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(OCC(=O)[O-])C(Cl)=C3)CN12	REAL300002015591	1	43	0.0	-70.35	364.36	9.04	-61.31
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300002015667	1	41	0.0	-73.17	338.39	7.89	-65.28
C[N@H+]1CCCCC1C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300002015667	1	41	0.0	-75.82	328.93	7.68	-68.14
CC(C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1)N1CC[NH+](C)CC1	REAL300002015668	1	46	0.0	-75.37	369.43	6.13	-69.24
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300002015707	1	41	0.0	-72.79	338.13	7.90	-64.89
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300002015707	1	41	0.0	-75.77	328.91	7.68	-68.09
C[NH+]1CCC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)CC1	REAL300002015786	0	41	0.0	-80.67	340.82	7.94	-72.73
O=C([O-])COC1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1Cl	REAL300002015816	0	36	0.0	-78.08	326.67	9.79	-68.29
C[NH+](C)CC1(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)CCCCC1	REAL300002015849	0	50	0.0	-79.72	379.20	9.88	-69.84
C[N@H+](CCC(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1)C1CCCCC1	REAL300002015854	0	50	0.0	-79.45	394.62	9.89	-69.56
C[N@@H+](CCC(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1)C1CCCCC1	REAL300002015854	1	50	0.0	-79.40	394.61	9.89	-69.51
C[N@@H+]1CCCC1C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300002015870	1	38	0.0	-72.84	322.03	7.24	-65.60
C[N@H+]1CCCC1C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300002015870	1	38	0.0	-73.86	322.98	7.28	-66.58
C[NH+]1CCC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)CC1	REAL300002015920	0	41	0.0	-80.67	340.82	7.94	-72.73
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C1Cl	REAL300002015924	0	44	0.0	-83.47	384.90	8.92	-74.55
O=C([O-])COC1=CC=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1Cl	REAL300002015942	0	51	0.0	-70.89	393.09	10.05	-60.84
O=C([O-])COC1=CC=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1Cl	REAL300002015942	1	51	0.0	-72.26	393.67	10.11	-62.15
O=C([O-])COC1=CC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C1Cl	REAL300002015943	0	52	0.0	-72.39	401.46	8.40	-63.99
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300002015978	1	42	0.0	-73.42	367.17	9.21	-64.21
O=C([O-])COC1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C=C1Cl	REAL300002015979	1	48	0.0	-80.20	394.46	7.90	-72.30
C[C@@H](C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1)[NH+](C)C	REAL300002015984	0	37	0.0	-76.49	314.42	6.72	-69.77
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CC[N@H+](CC(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1)C1CC1	REAL300002016741	0	41	0.0	-73.79	345.38	8.34	-65.45
CC[N@@H+](CC(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1)C1CC1	REAL300002016741	1	41	0.0	-74.81	341.88	8.32	-66.49
CC(C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1)[NH+]1CCCCCC1	REAL300002016767	0	47	0.0	-72.95	365.93	8.73	-64.22
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300002016770	1	38	0.0	-73.66	322.44	7.30	-66.36
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300002016770	1	38	0.0	-77.69	316.56	6.83	-70.86
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300002016849	0	40	0.0	-77.60	335.15	6.03	-71.57
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)O1	REAL300002016851	0	47	0.0	-81.74	395.87	9.46	-72.28
O=C([O-])COC1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C=C1Cl	REAL300002016852	0	47	0.0	-76.69	387.53	9.61	-67.08
C[N@H+](CC(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1)CC1=CC=CC=C1	REAL300002016854	1	44	0.0	-82.61	372.86	9.90	-72.71
C[N@@H+](CC(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1)CC1=CC=CC=C1	REAL300002016854	1	44	0.0	-83.85	372.94	9.89	-73.96
CC(C)[C@@H](C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1)[NH+](C)C	REAL300002016864	0	43	0.0	-76.81	344.88	8.46	-68.35
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)=NO1	REAL300002016906	1	40	0.0	-83.18	354.27	7.27	-75.91
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300002016920	0	44	0.0	-71.40	358.53	8.48	-62.92
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300002016920	1	44	0.0	-76.17	348.40	8.28	-67.89
C[NH+]1CCC(OCC(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)CC1	REAL300002016941	0	45	0.0	-83.77	376.43	8.30	-75.47
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1Cl	REAL300002016945	0	48	0.0	-83.38	401.55	9.87	-73.51
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300002017115	0	47	0.0	-77.31	380.49	9.29	-68.02
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300002017115	1	47	0.0	-76.04	380.16	9.31	-66.73
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300002017143	0	47	0.0	-76.35	375.39	8.94	-67.41
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(OCC(=O)[O-])C(Cl)=C1	REAL300002017143	1	47	0.0	-72.79	380.80	9.36	-63.43
O=C([O-])COC1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1Cl	REAL300002017144	1	45	0.0	-79.49	370.18	5.46	-74.03
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300002017351	0	47	0.0	-70.49	369.06	9.30	-61.19
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300002017351	1	47	0.0	-70.52	368.90	9.26	-61.26
C[N@@H+]1CC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C(C(F)(F)F)C1	REAL300002017352	0	41	0.0	-86.47	360.42	8.03	-78.44
C[N@H+]1CC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C(C(F)(F)F)C1	REAL300002017352	1	41	0.0	-82.69	352.92	7.94	-74.75
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)N1	REAL300002017375	1	42	0.0	-71.99	366.44	7.58	-64.41
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)=C1	REAL300002017822	0	47	0.0	-80.08	397.12	10.59	-69.49
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C=C1	REAL300002017828	0	48	0.0	-83.41	404.37	9.55	-73.86
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300002017960	0	41	0.0	-76.88	346.03	8.02	-68.86
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)CC1	REAL300002017964	0	47	0.0	-70.53	368.71	8.98	-61.55
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(OCC(=O)[O-])C(Cl)=C3)=CN12	REAL300002017968	0	39	0.0	-74.44	348.09	9.57	-64.87
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300002018029	0	50	0.0	-75.39	397.62	10.01	-65.38
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300002018029	1	50	0.0	-76.34	397.77	9.99	-66.35
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300002018030	0	44	0.0	-76.62	358.22	8.56	-68.06
CC[N@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300002018030	1	44	0.0	-70.98	352.26	8.74	-62.24
C[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300002018035	0	41	0.0	-78.36	340.58	7.91	-70.45
C[N@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300002018035	1	41	0.0	-78.24	340.83	7.89	-70.35
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)O1	REAL300002018037	1	41	0.0	-84.54	359.96	8.00	-76.54
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300002018043	0	50	0.0	-79.40	386.23	9.40	-70.00
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(OCC(=O)[O-])C(Cl)=C2)C1	REAL300002018043	1	50	0.0	-77.89	386.23	9.42	-68.47
O=C([O-])COC1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1Cl	REAL300002018046	1	43	0.0	-73.76	354.84	9.00	-64.76
O=C([O-])COC1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1Cl	REAL300002018046	1	43	0.0	-78.98	353.10	9.28	-69.70
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2CC[NH+](C3CC3)CC2)C(OC)=C1	REAL300002019210	0	55	0.0	-71.66	420.80	8.81	-62.85
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2CCC3=C[NH+]=C(C)N3C2)C(OC)=C1	REAL300002019232	1	53	0.0	-62.66	418.54	8.66	-54.00
COC1=CC=C(C(CC(=O)[O-])NC(=O)C[NH+](C)C)C(OC)=C1	REAL300002019275	0	44	0.0	-59.97	351.40	5.83	-54.14
COC1=CC=C(C(CC(=O)[O-])NC(=O)C(C)N2CC[NH+](C)CC2)C(OC)=C1	REAL300002019276	1	56	0.0	-63.18	414.29	5.40	-57.78
COC1=CC=C(C(CC(=O)[O-])NC(=O)[C@@H]2CCCC[N@@H+]2C)C(OC)=C1	REAL300002019301	0	51	0.0	-56.12	381.64	7.29	-48.83
COC1=CC=C(C(CC(=O)[O-])NC(=O)[C@@H]2CCCC[N@H+]2C)C(OC)=C1	REAL300002019301	1	51	0.0	-51.80	383.05	7.14	-44.66
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2CC[NH+](C)CC2)C(OC)=C1	REAL300002019335	0	51	0.0	-73.78	395.52	7.63	-66.15
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(OC)=C1	REAL300002019362	0	46	0.0	-62.94	371.07	8.98	-53.96
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2(C[NH+](C)C)CCCCC2)C(OC)=C1	REAL300002019382	0	60	0.0	-80.41	422.55	10.35	-70.06
COC1=CC=C(C(CC(=O)[O-])NC(=O)CC[N@H+](C)C2CCCCC2)C(OC)=C1	REAL300002019385	0	60	0.0	-57.74	439.14	9.04	-48.70
COC1=CC=C(C(CC(=O)[O-])NC(=O)CC[N@@H+](C)C2CCCCC2)C(OC)=C1	REAL300002019385	1	60	0.0	-65.01	449.58	9.56	-55.45
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2CCC[N@@H+]2C)C(OC)=C1	REAL300002019395	0	48	0.0	-61.06	377.26	7.00	-54.06
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2CCC[N@H+]2C)C(OC)=C1	REAL300002019395	1	48	0.0	-56.01	376.95	6.77	-49.24
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2CC[NH+](C)CC2)C(OC)=C1	REAL300002019432	0	51	0.0	-73.78	395.52	7.63	-66.15
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCCN2C=C[NH+]=C2C)C(OC)=C1	REAL300002019463	1	52	0.0	-57.92	411.85	8.39	-49.53
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC[NH+]2CCOCC2)C(OC)=C1	REAL300002019464	1	58	0.0	-66.10	439.15	7.08	-59.02
COC1=CC=C(C(CC(=O)[O-])NC(=O)[C@H](C)[NH+](C)C)C(OC)=C1	REAL300002019468	0	47	0.0	-58.21	369.15	6.41	-51.80
COC1=CC=C(C(CC(=O)[O-])NC(=O)[C@H]2CCC[N@@H+]2C)C(OC)=C1	REAL300002019469	0	48	0.0	-50.77	366.01	6.54	-44.23
COC1=CC=C(C(CC(=O)[O-])NC(=O)[C@H]2CCC[N@H+]2C)C(OC)=C1	REAL300002019469	1	48	0.0	-64.06	370.02	6.51	-57.55
COC1=CC=C(C(CC(=O)[O-])NC(=O)[C@@H](C)[NH+](C)C)C(OC)=C1	REAL300002019472	0	47	0.0	-61.02	369.55	6.30	-54.72
CCC(C(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC)[NH+](CC)CC	REAL300002019523	0	56	0.0	-55.92	417.57	8.16	-47.76
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(OC)=C1	REAL300002019537	0	53	0.0	-74.58	425.15	7.61	-66.97
CCC[NH+](CCC)CCCC(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300002019539	0	62	0.0	-67.89	473.55	10.04	-57.85
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2C[N@H+](C)CCO2)C(OC)=C1	REAL300002019540	1	49	0.0	-51.24	381.05	6.23	-45.01
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2C[N@@H+](C)CCO2)C(OC)=C1	REAL300002019540	1	49	0.0	-72.33	381.31	6.12	-66.21
COC1=CC=C(C(CC(=O)[O-])NC(=O)CN2C=C[NH+]=C2C(C)C)C(OC)=C1	REAL300002019548	1	52	0.0	-56.97	418.38	8.60	-48.37
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2(C[NH+](C)C)CC2)C(OC)=C1	REAL300002019556	0	51	0.0	-51.67	403.07	7.72	-43.95
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCCC[NH+](C)C)C(OC)=C1	REAL300002019560	0	53	0.0	-72.05	416.76	7.95	-64.10
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300002019582	1	50	0.0	-58.94	400.44	6.97	-51.97
CCC[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300002019586	0	50	0.0	-60.33	390.34	7.37	-52.96
CCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300002019586	1	50	0.0	-60.13	390.34	7.35	-52.78
COC1=CC=C(C(CC(=O)[O-])NC(=O)C[N@H+](C)C2CCC2)C(OC)=C1	REAL300002019598	0	51	0.0	-57.75	397.22	7.91	-49.84
COC1=CC=C(C(CC(=O)[O-])NC(=O)C[N@@H+](C)C2CCC2)C(OC)=C1	REAL300002019598	1	51	0.0	-58.60	397.32	7.93	-50.67
COC1=CC=C(C(CC(=O)[O-])NC(=O)C(C)[NH+]2CCSCC2)C(OC)=C1	REAL300002019610	1	52	0.0	-56.37	406.30	7.72	-48.65
COC1=CC=C(C(CC(=O)[O-])NC(=O)C[N@H+](C)CC(C)(C)C)C(OC)=C1	REAL300002019612	0	56	0.0	-56.67	420.74	8.46	-48.21
COC1=CC=C(C(CC(=O)[O-])NC(=O)C[N@@H+](C)CC(C)(C)C)C(OC)=C1	REAL300002019612	1	56	0.0	-57.87	419.25	8.38	-49.49
CC[C@@H](C(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC)[NH+](C)C	REAL300002019615	0	50	0.0	-57.92	380.73	6.99	-50.93
COC1=CC=C(C(CC(=O)[O-])NC(=O)CC2(O)CCC[N@H+](C)C2)C(OC)=C1	REAL300002019617	0	55	0.0	-68.63	408.89	6.13	-62.50
COC1=CC=C(C(CC(=O)[O-])NC(=O)CC2(O)CCC[N@@H+](C)C2)C(OC)=C1	REAL300002019617	1	55	0.0	-68.14	418.55	6.40	-61.74
CCCCCC[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300002019628	0	59	0.0	-51.90	444.87	9.33	-42.57
CCCCCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300002019628	1	59	0.0	-61.12	454.82	9.72	-51.40
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(OC)=C1	REAL300002019640	1	46	0.0	-67.48	371.34	8.98	-58.50
COC1=CC=C(C(CC(=O)[O-])NC(=O)C[N@H+](C)C2CCSC2)C(OC)=C1	REAL300002019646	0	52	0.0	-55.56	400.47	7.80	-47.76
COC1=CC=C(C(CC(=O)[O-])NC(=O)C[N@@H+](C)C2CCSC2)C(OC)=C1	REAL300002019646	1	52	0.0	-63.71	410.46	8.19	-55.52
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2CCCC3CCC[N@@H+]32)C(OC)=C1	REAL300002019660	0	55	0.0	-55.30	403.28	8.34	-46.96
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2CCCC3CCC[N@H+]32)C(OC)=C1	REAL300002019660	1	55	0.0	-58.86	403.58	8.33	-50.53
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CN(CC[NH+](C)C)N=C2)C(OC)=C1	REAL300002019661	0	54	0.0	-78.62	435.51	7.49	-71.13
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=NN(CC[NH+](C)C)C=C2)C(OC)=C1	REAL300002019685	0	54	0.0	-81.54	435.88	7.49	-74.05
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2=CC=NN2CC[NH+](C)C)C(OC)=C1	REAL300002019686	0	54	0.0	-61.98	424.60	7.68	-54.30
COC1=CC=C(C(CC(=O)[O-])NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(OC)=C1	REAL300002019688	0	51	0.0	-61.81	378.32	6.82	-54.99
COC1=CC=C(C(CC(=O)[O-])NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(OC)=C1	REAL300002019688	1	51	0.0	-71.89	389.64	7.05	-64.84
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300002019689	1	55	0.0	-60.68	437.14	9.19	-51.49
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)CC[N@@H+]1C	REAL300002019692	0	54	0.0	-71.69	408.21	7.58	-64.11
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)CC[N@H+]1C	REAL300002019692	1	54	0.0	-58.66	401.74	7.68	-50.98
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2C[N@H+](C)CC(C)O2)C(OC)=C1	REAL300002019697	1	52	0.0	-51.57	402.29	6.97	-44.60
COC1=CC=C(C(CC(=O)[O-])NC(=O)C2C[N@@H+](C)CC(C)O2)C(OC)=C1	REAL300002019697	1	52	0.0	-47.26	403.02	6.98	-40.28
COC1=CC=C(C(CC(=O)[O-])NC(=O)C[NH+]2CCCC2)C(OC)=C1	REAL300002019702	0	48	0.0	-57.97	375.93	7.06	-50.91
COC1=CC=C(C(CC(=O)[O-])NC(=O)CN2C=C[NH+]=C2C)C(OC)=C1	REAL300002019704	1	46	0.0	-59.73	380.86	7.44	-52.29
COC1=CC=C(C(CC(=O)[O-])NC(=O)C(C)C[NH+]2CCOCC2)C(OC)=C1	REAL300002019706	0	55	0.0	-66.04	422.95	6.56	-59.48
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COCC(C)(CC(=O)[O-])NC(=O)C(C)[NH+]1CCSCC1	REAL300002032575	1	44	0.0	-54.41	329.34	5.40	-49.01
COCC(C)(CC(=O)[O-])NC(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300002032582	0	49	0.0	-55.84	374.24	7.96	-47.88
COCC(C)(CC(=O)[O-])NC(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300002032582	1	49	0.0	-56.04	374.24	7.96	-48.08
COCCOCC[N@H+](C)CCC(=O)NC(C)(COC)CC(=O)[O-]	REAL300002032583	0	53	0.0	-58.30	403.23	4.14	-54.16
COCCOCC[N@@H+](C)CCC(=O)NC(C)(COC)CC(=O)[O-]	REAL300002032583	1	53	0.0	-58.35	403.45	4.31	-54.04
COCC(C)(CC(=O)[O-])NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300002032586	0	47	0.0	-61.51	332.83	3.64	-57.87
COCC(C)(CC(=O)[O-])NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300002032586	1	47	0.0	-59.36	335.71	3.53	-55.83
COCC(C)(CC(=O)[O-])NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002032591	0	58	0.0	-65.42	429.57	7.83	-57.59
CCCCCC[N@H+](C)CC(=O)NC(C)(COC)CC(=O)[O-]	REAL300002032592	0	51	0.0	-53.82	378.82	7.27	-46.55
CCCCCC[N@@H+](C)CC(=O)NC(C)(COC)CC(=O)[O-]	REAL300002032592	1	51	0.0	-53.79	378.82	7.27	-46.52
COCC(C)(CC(=O)[O-])NC(=O)C[N@H+](C)C1CCSC1	REAL300002032614	0	44	0.0	-55.52	334.44	5.75	-49.77
COCC(C)(CC(=O)[O-])NC(=O)C[N@@H+](C)C1CCSC1	REAL300002032614	1	44	0.0	-54.63	335.99	5.92	-48.71
COCC(C)(CC(=O)[O-])NC(=O)CCN1CC[NH+](C(C)C)CC1	REAL300002032624	0	54	0.0	-61.83	390.61	4.86	-56.97
COCC(C)(CC(=O)[O-])NC(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300002032625	0	57	0.0	-64.67	412.11	5.66	-59.01
COCC(C)(CC(=O)[O-])NC(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300002032625	1	57	0.0	-61.13	408.42	5.45	-55.68
COCC(C)(CC(=O)[O-])NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300002032627	0	46	0.0	-72.51	359.56	5.19	-67.32
COCC(C)(CC(=O)[O-])NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300002032630	0	58	0.0	-61.47	429.47	7.69	-53.78
COCC(C)(CC(=O)[O-])NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002032632	0	55	0.0	-60.92	408.07	7.02	-53.90
COCC(C)(CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002032635	0	52	0.0	-62.37	391.32	7.11	-55.26
COCC(C)(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002032635	1	52	0.0	-59.98	383.90	7.27	-52.71
COCC(C)(CC(=O)[O-])NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002032640	1	50	0.0	-50.69	370.55	8.04	-42.65
COCC(C)(CC(=O)[O-])NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300002032640	1	50	0.0	-52.57	370.56	8.05	-44.52
COCC(C)(CC(=O)[O-])NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002032660	0	53	0.0	-64.70	400.29	8.92	-55.78
COCC(C)(CC(=O)[O-])NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002032660	1	53	0.0	-65.28	400.57	8.77	-56.51
COCC(C)(CC(=O)[O-])NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300002032671	0	46	0.0	-79.33	359.77	5.04	-74.29
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300002032672	0	46	0.0	-58.30	354.86	4.99	-53.31
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)(COC)CC(=O)[O-]	REAL300002032673	1	47	0.0	-54.82	361.21	6.89	-47.93
COCC(C)(CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002032684	0	53	0.0	-60.90	396.54	9.14	-51.76
COCC(C)(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002032684	1	53	0.0	-56.97	396.36	8.99	-47.98
COCC(C)(CC(=O)[O-])NC(=O)C(C)C[NH+]1CCOCC1	REAL300002032688	1	47	0.0	-55.61	345.96	4.54	-51.07
COCC(C)(CC(=O)[O-])NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002032689	0	54	0.0	-60.42	405.79	6.44	-53.98
COCC(C)(CC(=O)[O-])NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1	REAL300002032726	1	53	0.0	-69.16	392.80	7.12	-62.04
COCC(C)(CC(=O)[O-])NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002032727	0	53	0.0	-58.55	380.58	7.46	-51.09
COCC(C)(CC(=O)[O-])NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002032727	1	53	0.0	-55.93	379.74	7.41	-48.52
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300002032753	0	55	0.0	-65.46	411.93	6.44	-59.02
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300002032754	0	55	0.0	-70.39	411.14	6.41	-63.98
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300002032754	1	55	0.0	-74.62	411.32	6.32	-68.30
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C)(COC)CC(=O)[O-])C=C1	REAL300002032755	0	56	0.0	-71.94	418.23	8.15	-63.79
COCC(C)(CC(=O)[O-])NC(=O)C1CC[NH+](C(C)C)CC1	REAL300002032761	0	49	0.0	-59.39	354.15	6.54	-52.85
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002032835	0	57	0.0	-74.71	426.48	6.18	-68.53
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300002032839	0	46	0.0	-67.45	353.46	7.17	-60.28
COCC(C)(CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002032840	0	53	0.0	-55.52	389.85	8.92	-46.60
COCC(C)(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002032840	1	53	0.0	-54.44	388.99	9.04	-45.40
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CCN1CC[NH+](CCC(=O)NC(C)(COC)CC(=O)[O-])CC1	REAL300002032882	1	51	0.0	-57.13	373.87	4.34	-52.79
COCC(C)(CC(=O)[O-])NC(=O)CCN1C=C[NH+]=C1C(C)C	REAL300002032889	1	47	0.0	-54.27	360.53	6.68	-47.59
COCC(C)(CC(=O)[O-])NC(=O)C(C)[NH+]1CCCCCC1	REAL300002032913	0	49	0.0	-51.20	346.36	6.46	-44.74
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300002032940	1	51	0.0	-75.96	388.20	7.61	-68.35
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300002032940	1	51	0.0	-75.55	388.24	7.42	-68.13
CC[NH+](CC)CC1=CC=C(C(=O)NC(C)(COC)CC(=O)[O-])O1	REAL300002032980	0	49	0.0	-69.67	370.91	6.44	-63.23
COCC(C)(CC(=O)[O-])NC(=O)CCCC[NH+]1CCCC1	REAL300002032981	0	49	0.0	-63.84	366.60	7.00	-56.84
COCC(C)(CC(=O)[O-])NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300002032982	1	52	0.0	-63.73	389.14	6.61	-57.12
COCC(C)(CC(=O)[O-])NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300002032983	1	46	0.0	-55.04	351.93	7.27	-47.77
COCC(C)(CC(=O)[O-])NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300002032983	1	46	0.0	-56.04	351.76	7.11	-48.93
COCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300002032986	0	58	0.0	-73.33	421.25	7.39	-65.94
COCC(C)(CC(=O)[O-])NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300002032995	1	41	0.0	-72.17	334.55	5.14	-67.03
COCC(C)(CC(=O)[O-])NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300002033021	0	53	0.0	-61.16	391.10	8.42	-52.74
COCC(C)(CC(=O)[O-])NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300002033021	1	53	0.0	-62.45	396.80	8.59	-53.86
COCC(C)(CC(=O)[O-])NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002033038	0	54	0.0	-75.58	417.56	8.02	-67.56
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COCC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002033053	0	50	0.0	-69.88	381.23	7.22	-62.66
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CCC(CC)(CC(=O)[O-])NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002036534	0	52	0.0	-68.55	378.59	10.05	-58.50
CCC(CC)(CC(=O)[O-])NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002036534	1	52	0.0	-68.08	376.67	9.96	-58.12
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CCC(CC)(CC(=O)[O-])NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300002036561	1	51	0.0	-65.41	368.34	9.55	-55.86
CCC(CC)(CC(=O)[O-])NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002036569	0	58	0.0	-62.99	407.62	11.72	-51.27
CCC(CC)(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002036569	1	58	0.0	-63.09	406.34	11.67	-51.42
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CCC(CC)(CC(=O)[O-])NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002036616	0	55	0.0	-69.11	393.27	10.92	-58.19
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CCC(CC)(CC(=O)[O-])NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1	REAL300002036652	1	46	0.0	-74.78	347.72	7.42	-67.36
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CC(C)[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300002040602	0	49	0.0	-68.59	357.43	3.82	-64.77
CC(C)N1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300002040602	1	49	0.0	-63.31	354.25	3.65	-59.66
CC(C)[NH+]1CCN(CCCC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300002040603	0	52	0.0	-69.54	378.93	4.62	-64.92
CC(C)N1CC[NH+](CCCC(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300002040603	1	52	0.0	-66.81	375.43	4.42	-62.39
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3(C(=O)[O-])CCOC3)CC2)=C1	REAL300002040607	0	53	0.0	-66.59	396.16	6.64	-59.95
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NC1(C(=O)[O-])CCOC1	REAL300002040608	0	50	0.0	-66.61	374.88	5.97	-60.64
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCOC1	REAL300002040611	0	47	0.0	-64.51	351.85	6.17	-58.34
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCOC1	REAL300002040611	1	47	0.0	-59.68	351.75	6.11	-53.57
CC(C(=O)NC1(C(=O)[O-])CCOC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002040615	1	45	0.0	-54.61	337.48	7.08	-47.53
CC(C(=O)NC1(C(=O)[O-])CCOC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002040615	1	45	0.0	-57.69	337.12	7.11	-50.58
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NC1(C(=O)[O-])CCOC1	REAL300002040632	0	48	0.0	-70.59	364.94	7.78	-62.81
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NC1(C(=O)[O-])CCOC1	REAL300002040632	1	48	0.0	-71.01	367.60	7.87	-63.14
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCOC1	REAL300002040649	0	48	0.0	-65.81	369.56	7.91	-57.90
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCOC1	REAL300002040649	1	48	0.0	-64.29	369.59	7.89	-56.40
O=C([O-])C1(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CCOC1	REAL300002040651	0	49	0.0	-66.97	372.51	5.39	-61.58
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCOC2)CC1	REAL300002040673	1	48	0.0	-77.59	359.64	6.06	-71.53
O=C([O-])C1(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)CCOC1	REAL300002040674	0	48	0.0	-62.75	348.10	6.53	-56.22
O=C([O-])C1(NC(=O)C2CC[N@H+](C3CCCCC3)C2)CCOC1	REAL300002040674	1	48	0.0	-65.17	347.30	6.44	-58.73
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3(C(=O)[O-])CCOC3)=C2)CC1	REAL300002040692	0	50	0.0	-74.16	378.94	5.56	-68.60
C[NH+]1CCN(CC2=CC=C(C(=O)NC3(C(=O)[O-])CCOC3)C=C2)CC1	REAL300002040693	0	50	0.0	-80.07	377.97	5.39	-74.68
CN1CC[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCOC3)C=C2)CC1	REAL300002040693	1	50	0.0	-82.15	378.31	5.45	-76.70
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300002040694	0	51	0.0	-79.43	381.40	6.99	-72.44
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCOC1	REAL300002040747	0	52	0.0	-85.62	393.47	5.31	-80.31
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCOC1	REAL300002040749	0	48	0.0	-62.83	363.25	7.78	-55.05
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCOC1	REAL300002040749	1	48	0.0	-58.77	356.93	7.93	-50.84
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCOC3)=CC=C1N2	REAL300002040829	1	46	0.0	-80.54	355.02	6.57	-73.97
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCOC3)=CC=C1N2	REAL300002040829	1	46	0.0	-80.59	355.28	6.49	-74.10
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCOC2)O1	REAL300002040867	0	44	0.0	-74.03	342.30	5.81	-68.22
CC1=CC=C(N2CCC(C(=O)NC3(C(=O)[O-])CCOC3)CC2)[NH+]=C1	REAL300002040869	1	47	0.0	-70.50	356.12	5.72	-64.78
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3(C(=O)[O-])CCOC3)C=C2)CC1	REAL300002040872	0	53	0.0	-83.19	388.24	6.51	-76.68
O=C([O-])C1(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCOC1	REAL300002040879	1	36	0.0	-76.59	301.36	4.12	-72.47
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCOC1	REAL300002040903	0	48	0.0	-67.13	363.78	7.64	-59.49
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCOC1	REAL300002040903	1	48	0.0	-73.95	365.80	7.56	-66.39
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300002040918	0	49	0.0	-82.67	384.43	7.11	-75.56
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCOC1	REAL300002040930	0	45	0.0	-75.86	347.21	6.20	-69.66
C[N@@H+]1CC(C(=O)NC2(C(=O)[O-])CCOC2)C(C(F)(F)F)C1	REAL300002041174	0	38	0.0	-58.54	296.81	4.03	-54.51
C[N@H+]1CC(C(=O)NC2(C(=O)[O-])CCOC2)C(C(F)(F)F)C1	REAL300002041174	1	38	0.0	-80.20	289.18	5.02	-75.18
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300002041461	0	44	0.0	-75.94	342.81	6.98	-68.96
C[NH+](C)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300002041464	0	45	0.0	-81.63	350.01	5.94	-75.69
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1(C(=O)[O-])CCOC1	REAL300002041524	0	51	0.0	-63.84	381.78	8.50	-55.34
CC1C[N@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCOC3)C=C2)CCO1	REAL300002041526	1	49	0.0	-84.07	367.58	6.30	-77.77
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCOC3)C=C2)CCO1	REAL300002041526	1	49	0.0	-84.40	367.51	6.34	-78.06
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300002042521	0	47	0.0	-64.36	397.44	10.84	-53.52
CC1=[NH+]C=C2CCC(C(=O)NC(CC3=CC(Cl)=CC(Cl)=C3)C(=O)[O-])CN12	REAL300002042539	1	45	0.0	-58.37	396.42	10.73	-47.64
C[NH+](C)CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042573	0	36	0.0	-57.77	328.27	7.93	-49.84
CC(C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300002042574	1	48	0.0	-65.69	400.69	7.79	-57.90
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042597	0	43	0.0	-56.07	370.24	9.53	-46.54
C[N@H+]1CCCC[C@H]1C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042597	1	43	0.0	-54.81	361.01	9.34	-45.47
C[NH+]1CCC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300002042623	0	43	0.0	-68.70	372.85	9.57	-59.13
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002042642	0	38	0.0	-66.69	358.43	11.42	-55.27
C[N@@H+]1CCCC1C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042667	0	40	0.0	-59.18	348.26	8.48	-50.70
C[N@H+]1CCCC1C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042667	1	40	0.0	-59.26	348.27	8.47	-50.79
C[NH+]1CCC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300002042697	0	43	0.0	-68.70	372.85	9.57	-59.13
CC1=[NH+]C=CN1CCCC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042719	1	44	0.0	-63.26	399.05	10.88	-52.38
C[C@@H](C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])[NH+](C)C	REAL300002042722	0	39	0.0	-53.69	346.19	8.38	-45.31
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042723	0	40	0.0	-53.37	348.22	8.48	-44.89
C[N@H+]1CCC[C@@H]1C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042723	1	40	0.0	-56.44	353.35	9.00	-47.44
C[C@H](C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])[NH+](C)C	REAL300002042726	0	39	0.0	-54.72	346.39	8.35	-46.37
CCC(C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])[NH+](CC)CC	REAL300002042775	0	48	0.0	-51.14	394.52	10.29	-40.85
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300002042787	0	45	0.0	-72.66	401.38	9.58	-63.08
C[N@@H+]1CCOC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300002042789	1	41	0.0	-70.14	365.63	8.37	-61.77
C[N@H+]1CCOC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300002042789	1	41	0.0	-65.39	356.33	8.10	-57.29
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042797	1	44	0.0	-53.64	393.74	10.72	-42.92
C[NH+](C)CC1(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300002042804	0	43	0.0	-69.10	371.24	9.51	-59.59
C[NH+](C)CCCCC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042808	0	45	0.0	-69.82	393.63	10.05	-59.77
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042829	1	42	0.0	-55.48	377.63	8.99	-46.49
CCC[N@H+](C)CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042833	0	42	0.0	-55.31	367.31	9.40	-45.91
CCC[N@@H+](C)CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042833	1	42	0.0	-56.08	367.49	9.32	-46.76
C[N@H+](CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])C1CCC1	REAL300002042844	0	43	0.0	-52.68	374.12	9.97	-42.71
C[N@@H+](CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])C1CCC1	REAL300002042844	1	43	0.0	-53.54	374.26	9.98	-43.56
C[N@H+](CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])CC(C)(C)C	REAL300002042856	0	48	0.0	-55.70	397.95	10.39	-45.31
C[N@@H+](CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])CC(C)(C)C	REAL300002042856	1	48	0.0	-54.51	397.86	10.53	-43.98
CC[C@@H](C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])[NH+](C)C	REAL300002042858	0	42	0.0	-58.02	360.06	9.11	-48.91
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300002042860	0	47	0.0	-62.98	394.88	8.37	-54.61
C[N@H+]1CCCC(O)(CC(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300002042860	1	47	0.0	-64.76	386.05	8.16	-56.60
CCCCCC[N@H+](C)CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042871	0	51	0.0	-56.32	431.81	11.74	-44.58
CCCCCC[N@@H+](C)CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042871	1	51	0.0	-57.08	431.99	11.67	-45.41
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300002042880	1	38	0.0	-73.11	357.88	11.47	-61.64
C[N@H+](CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])C1CCSC1	REAL300002042884	0	44	0.0	-58.68	387.75	10.15	-48.53
C[N@@H+](CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])C1CCSC1	REAL300002042884	1	44	0.0	-58.06	389.08	10.13	-47.93
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300002042896	0	47	0.0	-50.04	392.82	10.75	-39.29
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300002042896	1	47	0.0	-53.80	384.19	10.52	-43.28
C[NH+](C)CCN1C=C(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300002042897	0	46	0.0	-75.51	412.34	9.47	-66.04
C[NH+](C)CCN1C=CC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=N1	REAL300002042915	0	46	0.0	-81.24	412.12	9.46	-71.78
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042916	0	46	0.0	-56.25	407.78	9.46	-46.79
C[C@@H]1[C@H](C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300002042918	0	43	0.0	-68.31	364.04	8.93	-59.38
C[C@@H]1[C@H](C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC[N@H+]1C	REAL300002042918	1	43	0.0	-59.73	365.99	9.25	-50.48
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042919	1	47	0.0	-57.50	413.39	11.16	-46.34
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC[N@@H+]1C	REAL300002042921	0	46	0.0	-63.14	384.79	9.67	-53.47
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC[N@H+]1C	REAL300002042921	1	46	0.0	-63.53	389.28	10.12	-53.41
CC1C[N@H+](C)CC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])O1	REAL300002042925	1	44	0.0	-68.18	379.91	9.14	-59.04
CC1C[N@@H+](C)CC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])O1	REAL300002042925	1	44	0.0	-75.78	386.64	9.16	-66.62
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C[NH+]1CCCC1	REAL300002042930	0	40	0.0	-54.88	351.38	8.97	-45.91
CC1=[NH+]C=CN1CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042932	1	38	0.0	-54.40	357.69	9.53	-44.87
CC(C[NH+]1CCOCC1)C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042934	0	47	0.0	-62.21	399.32	8.71	-53.50
CC1CC[NH+](CC(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300002042951	0	46	0.0	-56.29	391.22	10.42	-45.87
CC[N@@H+]1CCOC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300002042957	1	44	0.0	-49.95	376.01	8.92	-41.03
CC[N@H+]1CCOC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300002042957	1	44	0.0	-72.47	383.19	9.09	-63.38
C[N@@H+]1CCCC1CCC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042977	0	46	0.0	-64.25	391.65	10.32	-53.93
C[N@H+]1CCCC1CCC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042977	1	46	0.0	-63.03	390.02	10.01	-53.02
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300002042985	0	47	0.0	-56.11	389.11	10.40	-45.71
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300002042985	1	47	0.0	-55.19	388.78	10.45	-44.74
CC[NH+](CC)CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002042995	0	42	0.0	-53.71	364.12	9.34	-44.37
CC(C)[NH+]1CCC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300002042997	0	49	0.0	-67.78	403.54	10.54	-57.24
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C12CC[NH+](CC1)C2	REAL300002043039	0	41	0.0	-67.16	359.89	8.44	-58.72
CCC(C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])[NH+](C)C	REAL300002043042	0	42	0.0	-55.85	358.68	8.92	-46.93
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300002043047	0	44	0.0	-67.22	369.89	9.12	-58.10
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300002043047	1	44	0.0	-73.63	369.12	9.26	-64.37
CC1CCC(C)[NH+]1CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002043071	0	46	0.0	-52.74	385.30	9.81	-42.93
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300002043072	0	46	0.0	-71.10	406.42	11.42	-59.68
C#CC[NH+]1CCC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300002043101	0	45	0.0	-72.45	397.84	10.85	-61.60
CC(C)[N@H+](C)CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002043102	0	42	0.0	-53.43	362.51	9.18	-44.25
CC(C)[N@@H+](C)CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002043102	1	42	0.0	-53.46	362.44	9.18	-44.28
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002043106	1	47	0.0	-56.87	412.87	11.10	-45.77
CC[N@H+](CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])C1CC1	REAL300002043111	0	43	0.0	-53.42	368.52	9.52	-43.90
CC[N@@H+](CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])C1CC1	REAL300002043111	1	43	0.0	-53.40	374.39	9.97	-43.43
CC(C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300002043124	0	49	0.0	-54.16	399.36	10.69	-43.47
C[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002043127	0	40	0.0	-56.08	354.21	8.94	-47.14
C[N@H+]1CCC[C@H]1C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002043127	1	40	0.0	-58.77	348.02	8.54	-50.23
CC(C)(C)[NH2+]CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002043163	0	42	0.0	-53.75	366.98	7.71	-46.04
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)CCCC[NH+]1CCCC1	REAL300002043164	0	49	0.0	-68.00	419.65	11.23	-56.77
C[N@H+](CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300002043166	1	46	0.0	-59.38	404.98	11.51	-47.87
C[N@@H+](CC(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300002043166	1	46	0.0	-59.20	404.99	11.50	-47.70
C[NH+](C)CC1=CC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=NO1	REAL300002043191	1	42	0.0	-73.87	386.55	8.99	-64.88
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002043200	0	46	0.0	-54.28	387.15	10.06	-44.22
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300002043200	1	46	0.0	-53.57	386.97	10.10	-43.47
C[NH+]1CCC(OCC(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300002043210	0	47	0.0	-74.87	408.27	10.00	-64.87
CCC[N@@H+]1CCCC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300002043286	0	49	0.0	-51.41	404.81	11.18	-40.23
CCC[N@H+]1CCCC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300002043286	1	49	0.0	-60.85	411.83	11.00	-49.85
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300002043297	1	47	0.0	-55.38	401.22	7.12	-48.26
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300002043386	0	49	0.0	-60.64	406.97	10.77	-49.87
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300002043386	1	49	0.0	-61.31	407.17	10.71	-50.60
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])N1	REAL300002043399	1	44	0.0	-57.23	398.32	9.26	-47.97
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300002043676	0	43	0.0	-62.13	377.59	9.70	-52.43
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300002043680	0	49	0.0	-65.09	400.56	10.62	-54.47
CC1=[NH+]C=C2C=CC(C(=O)NC(CC3=CC(Cl)=CC(Cl)=C3)C(=O)[O-])=CN12	REAL300002043682	0	41	0.0	-62.31	379.02	11.24	-51.07
CC[N@@H+]1CCCC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300002043712	0	46	0.0	-61.14	390.49	10.19	-50.95
CC[N@H+]1CCCC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300002043712	1	46	0.0	-62.41	390.49	10.19	-52.22
C[N@@H+]1CCCC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300002043717	0	43	0.0	-52.54	366.58	9.74	-42.80
C[N@H+]1CCCC(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300002043717	1	43	0.0	-64.39	372.60	9.59	-54.80
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])O1	REAL300002043719	1	43	0.0	-73.83	391.75	9.63	-64.20
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002043726	0	45	0.0	-57.41	384.98	10.61	-46.80
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300002043726	1	45	0.0	-57.70	370.54	11.38	-46.32
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002044980	0	57	0.0	-54.81	436.71	11.35	-43.46
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002044980	1	57	0.0	-53.99	448.56	11.16	-42.83
COC1=CC=CC=C1CC(CNC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300002045681	0	54	0.0	-64.75	414.12	9.37	-55.38
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@@H+]1C1CC1)C(=O)[O-]	REAL300002045705	0	51	0.0	-51.59	395.87	8.54	-43.05
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@H+]1C1CC1)C(=O)[O-]	REAL300002045705	1	51	0.0	-51.38	391.84	9.00	-42.38
COC1=CC=CC=C1CC(CNC(=O)C1CCC2=C[NH+]=C(C)N2C1)C(=O)[O-]	REAL300002045711	1	52	0.0	-58.46	407.16	10.00	-48.46
COC1=CC=CC=C1CC(CNC(=O)C1CCCC[N@@H+]1C)C(=O)[O-]	REAL300002045783	0	50	0.0	-56.28	386.64	8.09	-48.19
COC1=CC=CC=C1CC(CNC(=O)C1CCCC[N@H+]1C)C(=O)[O-]	REAL300002045783	1	50	0.0	-55.86	371.50	8.66	-47.20
COC1=CC=CC=C1CC(CNC(=O)C(C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300002045784	1	55	0.0	-67.91	417.96	6.34	-61.57
COC1=CC=CC=C1CC(CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[O-]	REAL300002045819	0	50	0.0	-59.22	371.51	8.66	-50.56
COC1=CC=CC=C1CC(CNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[O-]	REAL300002045819	1	50	0.0	-52.35	386.65	8.09	-44.26
COC1=CC=CC=C1CC(CNC(=O)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300002045892	0	50	0.0	-65.18	383.25	8.21	-56.97
COC1=CC=CC=C1CC(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)[O-]	REAL300002045922	0	45	0.0	-65.75	369.72	10.18	-55.57
COC1=CC=CC=C1CC(CNC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300002045952	0	59	0.0	-66.18	433.20	9.87	-56.31
COC1=CC=CC=C1CC(CNC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002045957	0	59	0.0	-61.97	437.23	10.83	-51.14
COC1=CC=CC=C1CC(CNC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002045957	1	59	0.0	-62.49	437.22	10.82	-51.67
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@@H+]1C)C(=O)[O-]	REAL300002045973	0	47	0.0	-53.42	364.69	7.04	-46.38
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@H+]1C)C(=O)[O-]	REAL300002045973	1	47	0.0	-51.30	359.23	7.20	-44.10
COC1=CC=CC=C1CC(CNC(=O)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300002046026	0	50	0.0	-65.18	383.25	8.21	-56.97
COC1=CC=CC=C1CC(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300002046044	0	60	0.0	-52.89	441.59	10.27	-42.62
COC1=CC=CC=C1CC(CNC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300002046044	1	60	0.0	-48.09	427.87	10.52	-37.57
COC1=CC=CC=C1CC(CNC(=O)CCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300002046079	1	51	0.0	-63.41	415.66	9.41	-54.00
COC1=CC=CC=C1CC(CNC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300002046080	1	57	0.0	-70.55	437.12	8.83	-61.72
COC1=CC=CC=C1CC(CNC(=O)[C@H](C)[NH+](C)C)C(=O)[O-]	REAL300002046086	0	46	0.0	-50.98	356.55	6.95	-44.03
COC1=CC=CC=C1CC(CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[O-]	REAL300002046087	0	47	0.0	-55.26	363.83	8.31	-46.95
COC1=CC=CC=C1CC(CNC(=O)[C@H]1CCC[N@H+]1C)C(=O)[O-]	REAL300002046087	1	47	0.0	-58.15	364.64	7.04	-51.11
COC1=CC=CC=C1CC(CNC(=O)[C@@H](C)[NH+](C)C)C(=O)[O-]	REAL300002046091	0	46	0.0	-51.63	353.38	7.00	-44.63
COC1=CC=CC=C1CC(CNC(=O)C1([NH+](C)C)CC1)C(=O)[O-]	REAL300002046099	0	47	0.0	-55.86	362.42	7.56	-48.30
COC1=CC=CC=C1CC(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002046140	0	57	0.0	-62.91	441.89	11.61	-51.30
COC1=CC=CC=C1CC(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002046140	1	57	0.0	-61.05	443.81	11.18	-49.87
CCC(C(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-])[NH+](CC)CC	REAL300002046165	0	55	0.0	-49.13	405.60	8.85	-40.28
COC1=CC=CC=C1CC(CNC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002046167	0	56	0.0	-50.82	433.63	10.51	-40.31
COC1=CC=CC=C1CC(CNC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002046167	1	56	0.0	-57.05	438.39	10.39	-46.66
COC1=CC=CC=C1CC(CNC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300002046190	0	52	0.0	-73.39	418.65	8.14	-65.25
CCC[NH+](CCC)CCCC(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300002046195	0	61	0.0	-63.41	461.66	10.81	-52.60
CC[N@H+](C)C(C(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-])C1=CC=CC=C1	REAL300002046196	0	56	0.0	-54.29	437.86	10.62	-43.67
CC[N@@H+](C)C(C(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-])C1=CC=CC=C1	REAL300002046196	1	56	0.0	-53.28	426.17	10.54	-42.74
COC1=CC=CC=C1CC(CNC(=O)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300002046197	1	48	0.0	-50.33	374.99	6.81	-43.52
COC1=CC=CC=C1CC(CNC(=O)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300002046197	1	48	0.0	-56.94	372.63	7.03	-49.91
CC[NH+](CC)C(C(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-])C1=CC=CC=C1	REAL300002046199	0	59	0.0	-49.52	434.64	11.08	-38.44
COC1=CC=CC=C1CC(CNC(=O)CN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300002046209	1	51	0.0	-51.13	404.27	9.27	-41.86
COC1=CC=CC=C1CC(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002046220	0	57	0.0	-74.48	441.82	11.87	-62.61
COC1=CC=CC=C1CC(CNC(=O)C1(C[NH+](C)C)CC1)C(=O)[O-]	REAL300002046229	0	50	0.0	-58.10	387.05	8.35	-49.75
COC1=CC=CC=C1CC(CNC(=O)CCCC[NH+](C)C)C(=O)[O-]	REAL300002046235	0	52	0.0	-69.36	404.22	9.37	-59.99
COC1=CC=CC=C1CC(CNC(=O)C(C(C)C)[NH+](C)C)C(=O)[O-]	REAL300002046243	0	52	0.0	-54.95	382.11	8.47	-46.48
COC1=CC=CC=C1CC(CNC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002046253	1	51	0.0	-76.57	415.22	8.58	-67.99
COC1=CC=CC=C1CC(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300002046268	1	53	0.0	-77.06	426.66	8.52	-68.54
COC1=CC=CC=C1CC(CNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002046269	0	56	0.0	-78.58	439.50	11.56	-67.02
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300002046279	1	49	0.0	-48.33	384.57	7.65	-40.68
CCC[N@H+](C)CC(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300002046287	0	49	0.0	-52.54	377.88	7.96	-44.58
CCC[N@@H+](C)CC(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300002046287	1	49	0.0	-56.90	378.09	8.64	-48.26
COC1=CC=CC=C1CC(CNC(=O)C[N@H+](C)C1CCC1)C(=O)[O-]	REAL300002046308	0	50	0.0	-50.31	384.76	8.52	-41.79
COC1=CC=CC=C1CC(CNC(=O)C[N@@H+](C)C1CCC1)C(=O)[O-]	REAL300002046308	1	50	0.0	-54.70	390.92	8.48	-46.22
COC1=CC=CC=C1CC(CNC(=O)C(C)[NH+]1CCSCC1)C(=O)[O-]	REAL300002046330	1	51	0.0	-55.21	400.06	8.34	-46.87
COC1=CC=CC=C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300002046332	0	55	0.0	-51.22	408.43	9.09	-42.13
COC1=CC=CC=C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300002046332	1	55	0.0	-51.73	408.27	9.03	-42.70
COC1=CC=CC=C1CC(CNC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002046334	0	56	0.0	-55.64	437.78	10.98	-44.66
COC1=CC=CC=C1CC(CNC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002046334	1	56	0.0	-55.78	437.79	10.98	-44.80
COCCOCC[N@H+](C)CCC(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300002046335	0	60	0.0	-63.53	466.97	7.85	-55.68
COCCOCC[N@@H+](C)CCC(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300002046335	1	60	0.0	-63.93	471.37	7.03	-56.90
CC[C@@H](C(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-])[NH+](C)C	REAL300002046338	0	49	0.0	-53.73	375.35	7.50	-46.23
COC1=CC=CC=C1CC(CNC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300002046340	0	54	0.0	-56.78	409.47	7.04	-49.74
COC1=CC=CC=C1CC(CNC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300002046340	1	54	0.0	-62.51	405.34	6.67	-55.84
CCCCCC[N@H+](C)CC(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300002046362	0	58	0.0	-57.76	442.59	10.98	-46.78
CCCCCC[N@@H+](C)CC(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300002046362	1	58	0.0	-57.84	442.59	10.98	-46.86
COC1=CC=CC=C1CC(CNC(=O)C12CCC[NH+]1CCC2)C(=O)[O-]	REAL300002046373	0	51	0.0	-56.14	389.43	8.49	-47.65
COC1=CC=CC=C1CC(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300002046381	1	45	0.0	-69.30	370.00	10.20	-59.10
COC1=CC=CC=C1CC(CNC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300002046392	0	51	0.0	-52.96	394.58	8.80	-44.16
COC1=CC=CC=C1CC(CNC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300002046392	1	51	0.0	-59.66	399.54	9.47	-50.19
COC1=CC=CC=C1CC(CNC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002046409	0	61	0.0	-65.35	454.21	8.41	-56.94
COC1=CC=CC=C1CC(CNC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002046409	1	61	0.0	-62.56	454.89	7.38	-55.18
COC1=CC=CC=C1CC(CNC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300002046410	0	54	0.0	-45.40	399.65	9.41	-35.99
COC1=CC=CC=C1CC(CNC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300002046410	1	54	0.0	-50.17	391.99	9.15	-41.02
COC1=CC=CC=C1CC(CNC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300002046412	0	53	0.0	-72.37	419.57	8.07	-64.30
COC1=CC=CC=C1CC(CNC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002046427	1	57	0.0	-54.08	440.14	11.01	-43.07
COC1=CC=CC=C1CC(CNC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002046427	1	57	0.0	-56.23	439.66	11.07	-45.16
CCCC(C(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-])[NH+](C)C	REAL300002046444	0	52	0.0	-52.04	390.53	8.41	-43.63
COC1=CC=CC=C1CC(CNC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002046458	0	53	0.0	-75.46	423.87	8.07	-67.39
COC1=CC=CC=C1CC(CNC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300002046459	0	53	0.0	-61.59	421.31	8.01	-53.58
COC1=CC=CC=C1CC(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[O-]	REAL300002046462	0	50	0.0	-56.54	371.77	7.55	-48.99
COC1=CC=CC=C1CC(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[O-]	REAL300002046462	1	50	0.0	-60.72	386.78	8.00	-52.72
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300002046464	1	54	0.0	-58.19	429.20	9.62	-48.57
CC[C@@H]1[C@@H](C(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])CC[N@@H+]1C	REAL300002046467	0	53	0.0	-62.90	402.12	8.19	-54.71
CC[C@@H]1[C@@H](C(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])CC[N@H+]1C	REAL300002046467	1	53	0.0	-65.11	400.69	9.27	-55.84
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300002046470	1	49	0.0	-47.07	385.33	8.31	-38.76
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300002046470	1	49	0.0	-55.00	391.39	9.52	-45.48
COC1=CC=CC=C1CC(CNC(=O)C1C[N@H+](C)CC(C)O1)C(=O)[O-]	REAL300002046476	1	51	0.0	-63.33	396.25	7.53	-55.80
COC1=CC=CC=C1CC(CNC(=O)C1C[N@@H+](C)CC(C)O1)C(=O)[O-]	REAL300002046476	1	51	0.0	-47.87	391.01	7.73	-40.14
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300002046482	1	56	0.0	-48.88	439.52	9.61	-39.27
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300002046482	1	56	0.0	-53.20	438.55	8.86	-44.34
COC1=CC=CC=C1CC(CNC(=O)C[NH+]1CCCC1)C(=O)[O-]	REAL300002046484	0	47	0.0	-51.46	362.59	7.57	-43.89
COC1=CC=CC=C1CC(CNC(=O)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300002046486	1	45	0.0	-55.86	372.63	8.01	-47.85
COC1=CC=CC=C1CC(CNC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300002046488	0	54	0.0	-63.46	416.00	7.23	-56.23
COC1=CC=CC=C1CC(CNC(=O)C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300002046507	0	53	0.0	-53.53	402.34	9.07	-44.46
CC[N@@H+]1CCOC(C(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C1	REAL300002046518	1	51	0.0	-43.07	383.28	7.52	-35.55
CC[N@H+]1CCOC(C(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C1	REAL300002046518	1	51	0.0	-58.28	386.72	7.49	-50.79
COC1=CC=CC=C1CC(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002046552	0	60	0.0	-58.88	444.30	11.16	-47.72
COC1=CC=CC=C1CC(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002046552	1	60	0.0	-62.36	448.59	10.31	-52.05
COC1=CC=CC=C1CC(CNC(=O)CCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300002046557	0	53	0.0	-64.14	406.66	8.53	-55.61
COC1=CC=CC=C1CC(CNC(=O)CCC1CCC[N@H+]1C)C(=O)[O-]	REAL300002046557	1	53	0.0	-62.29	412.06	9.00	-53.29
COC1=CC=CC=C1CC(CNC(=O)C12CCC[NH+](CCC1)C2)C(=O)[O-]	REAL300002046569	0	54	0.0	-67.92	396.21	9.44	-58.48
COC1=CC=CC=C1CC(CNC(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)[O-]	REAL300002046571	0	51	0.0	-62.78	386.50	5.68	-57.10
COC1=CC=CC=C1CC(CNC(=O)C1(C)CC(O)C[N@H+]1C)C(=O)[O-]	REAL300002046571	1	51	0.0	-61.26	393.06	4.59	-56.67
COC1=CC=CC=C1CC(CNC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300002046572	0	54	0.0	-55.02	399.66	9.70	-45.32
COC1=CC=CC=C1CC(CNC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300002046572	1	54	0.0	-52.53	403.92	8.89	-43.64
COC1=CC=CC=C1CC(CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300002046579	0	57	0.0	-57.27	419.67	8.32	-48.95
CC[NH+](CC)CC(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300002046594	0	49	0.0	-55.80	370.45	8.31	-47.49
COC1=CC=CC=C1CC(CNC(=O)C1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002046596	0	56	0.0	-63.14	418.45	9.01	-54.13
COC1=CC=CC=C1CC(CNC(=O)C12CC[NH+](CC1)C2)C(=O)[O-]	REAL300002046675	0	48	0.0	-59.25	366.87	7.09	-52.16
CCC(C(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-])[NH+](C)C	REAL300002046678	0	49	0.0	-51.64	370.05	7.50	-44.14
COC1=CC=CC=C1CC(CNC(=O)C12CC[N@H+](C1)CCC2)C(=O)[O-]	REAL300002046686	0	51	0.0	-68.07	384.96	7.62	-60.45
COC1=CC=CC=C1CC(CNC(=O)C12CC[N@@H+](C1)CCC2)C(=O)[O-]	REAL300002046686	1	51	0.0	-61.28	380.18	7.76	-53.52
COC1=CC=CC=C1CC(CNC(=O)C[NH+]1C(C)CCC1C)C(=O)[O-]	REAL300002046730	0	53	0.0	-50.51	396.24	8.54	-41.97
COC1=CC=CC=C1CC(CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300002046731	0	53	0.0	-74.29	422.90	9.99	-64.30
COC1=CC=CC=C1CC(CNC(=O)C1([NH+](C)C)CCC1)C(=O)[O-]	REAL300002046765	0	50	0.0	-56.65	377.99	8.24	-48.41
C#CC[NH+]1CCC(C(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])CC1	REAL300002046788	0	52	0.0	-67.41	414.47	9.36	-58.05
CCC[N@@H+]1CCCCC1C(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300002046790	0	56	0.0	-56.83	416.53	9.33	-47.50
CCC[N@H+]1CCCCC1C(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300002046790	1	56	0.0	-57.19	410.75	10.06	-47.13
COC1=CC=CC=C1CC(CNC(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300002046791	0	53	0.0	-58.05	410.54	10.42	-47.63
CC[NH+]1CCN(CCC(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])CC1	REAL300002046793	0	58	0.0	-65.32	436.75	7.17	-58.15
CCN1CC[NH+](CCC(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])CC1	REAL300002046793	1	58	0.0	-61.62	443.30	7.16	-54.46
COC1=CC=CC=C1CC(CNC(=O)C[N@H+](C)C(C)C)C(=O)[O-]	REAL300002046794	0	49	0.0	-55.04	373.28	8.43	-46.61
COC1=CC=CC=C1CC(CNC(=O)C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300002046794	1	49	0.0	-54.67	379.12	7.70	-46.97
COC1=CC=CC=C1CC(CNC(=O)C(C(C)C)[NH+]1CCCCC1)C(=O)[O-]	REAL300002046795	0	59	0.0	-47.64	418.85	9.71	-37.93
COC1=CC=CC=C1CC(CNC(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300002046796	1	53	0.0	-52.56	413.51	10.72	-41.84
COC1=CC=CC=C1CC(CNC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300002046803	1	54	0.0	-58.23	428.60	9.55	-48.68
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300002046809	0	57	0.0	-54.46	415.14	10.01	-44.45
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300002046809	1	57	0.0	-48.40	421.17	9.96	-38.44
CC[N@H+](CC(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-])C1CC1	REAL300002046811	0	50	0.0	-54.64	385.15	9.22	-45.42
CC[N@@H+](CC(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-])C1CC1	REAL300002046811	1	50	0.0	-54.63	385.18	9.22	-45.41
COC1=CC=CC=C1CC(CNC(=O)C(C)[NH+]1CCCCCC1)C(=O)[O-]	REAL300002046834	0	56	0.0	-51.57	403.13	9.22	-42.35
COC1=CC=CC=C1CC(CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[O-]	REAL300002046837	0	47	0.0	-49.46	358.71	7.10	-42.36
COC1=CC=CC=C1CC(CNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[O-]	REAL300002046837	1	47	0.0	-55.12	370.48	7.54	-47.58
COC1=CC=CC=C1CC(CNC(=O)C[NH2+]C(C)(C)C)C(=O)[O-]	REAL300002046903	0	49	0.0	-55.93	382.14	6.12	-49.81
CC[NH+](CC)CC1=CC=C(C(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])O1	REAL300002046905	0	56	0.0	-65.20	431.09	9.48	-55.72
COC1=CC=CC=C1CC(CNC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300002046906	0	56	0.0	-67.59	430.13	10.55	-57.04
COC1=CC=CC=C1CC(CNC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002046908	1	53	0.0	-59.63	419.90	9.99	-49.64
COC1=CC=CC=C1CC(CNC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002046908	1	53	0.0	-59.10	421.36	10.09	-49.01
COC1=CC=CC=C1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)[O-]	REAL300002046918	0	52	0.0	-56.86	384.49	8.65	-48.21
COC1=CC=CC=C1CC(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002046937	1	48	0.0	-70.44	394.56	8.02	-62.42
COC1=CC=CC=C1CC(CNC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300002046959	1	49	0.0	-79.18	403.82	7.53	-71.65
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@@H+]1C(C)C)C(=O)[O-]	REAL300002046972	0	53	0.0	-48.45	394.20	8.69	-39.76
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@H+]1C(C)C)C(=O)[O-]	REAL300002046972	1	53	0.0	-51.86	391.66	9.51	-42.35
COC1=CC=CC=C1CC(CNC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300002046991	0	54	0.0	-72.72	424.64	8.59	-64.13
CCC[N@@H+]1CCCC(C(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C1	REAL300002047146	0	56	0.0	-61.78	422.62	10.27	-51.51
CCC[N@H+]1CCCC(C(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C1	REAL300002047146	1	56	0.0	-57.82	422.43	9.57	-48.25
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@@H+]1CC(C)C)C(=O)[O-]	REAL300002047173	0	56	0.0	-52.88	423.66	9.15	-43.73
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@H+]1CC(C)C)C(=O)[O-]	REAL300002047173	1	56	0.0	-53.83	429.59	9.68	-44.15
COC1=CC=CC=C1CC(CNC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300002047174	0	54	0.0	-57.29	412.61	6.42	-50.87
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300002047368	0	56	0.0	-52.78	411.33	9.53	-43.25
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300002047368	1	56	0.0	-61.26	417.77	10.03	-51.23
COC1=CC=CC=C1CC(CNC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002047369	0	50	0.0	-57.39	396.24	8.74	-48.65
COC1=CC=CC=C1CC(CNC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002047369	1	50	0.0	-72.21	390.95	8.27	-63.94
COC1=CC=CC=C1CC(CNC(=O)CCC1=[NH+]C(C)=C(C)N1)C(=O)[O-]	REAL300002047392	1	51	0.0	-58.10	409.05	8.52	-49.58
COC1=CC=CC=C1CC(CNC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300002047809	0	56	0.0	-75.71	445.45	10.83	-64.88
COC1=CC=CC=C1CC(CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)[O-]	REAL300002047939	0	50	0.0	-67.36	388.37	8.96	-58.40
COC1=CC=CC=C1CC(CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)[O-]	REAL300002047943	0	56	0.0	-66.57	411.16	9.91	-56.66
COC1=CC=CC=C1CC(CNC(=O)C1=CN2C(=C[NH+]=C2C)C=C1)C(=O)[O-]	REAL300002047946	0	48	0.0	-61.20	391.14	9.95	-51.25
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300002048002	0	59	0.0	-56.48	439.61	10.42	-46.06
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300002048002	1	59	0.0	-54.80	434.57	10.59	-44.21
CC[N@@H+]1CCCC(C(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C1	REAL300002048003	0	53	0.0	-53.37	394.66	9.02	-44.35
CC[N@H+]1CCCC(C(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C1	REAL300002048003	1	53	0.0	-56.05	400.69	8.98	-47.07
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300002048008	0	50	0.0	-58.09	383.12	8.33	-49.76
COC1=CC=CC=C1CC(CNC(=O)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300002048008	1	50	0.0	-56.77	377.19	9.06	-47.71
COC1=CC=CC=C1CC(CNC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)[O-]	REAL300002048010	1	50	0.0	-66.83	398.76	8.29	-58.54
COC1=CC=CC=C1CC(CNC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300002048016	0	59	0.0	-71.05	434.68	9.64	-61.41
COC1=CC=CC=C1CC(CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300002048016	1	59	0.0	-64.77	425.23	9.69	-55.08
COC1=CC=CC=C1CC(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300002048019	0	52	0.0	-53.76	394.35	8.91	-44.85
COC1=CC=CC=C1CC(CNC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300002048019	1	52	0.0	-52.29	396.68	9.86	-42.43
CCC(CC)(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002049340	0	55	0.0	-65.17	404.16	10.42	-54.75
CCC(CC)(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002050117	0	52	0.0	-50.48	383.61	10.03	-40.45
CCC(CC)(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002050117	1	52	0.0	-53.14	387.44	9.82	-43.32
CCC(CC)(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300002050919	1	52	0.0	-57.02	404.67	10.38	-46.64
CCC(CC)(CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300002050919	1	52	0.0	-53.27	396.63	10.03	-43.24
CCC(CC)(CNC(=O)C1CCC2=C[NH+]=C(C)N2C1)C(=O)[O-]	REAL300002051011	1	47	0.0	-53.61	349.20	8.25	-45.36
CCC(CC)(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300002051012	0	55	0.0	-57.66	398.67	9.85	-47.81
CCC(CC)(CNC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300002051077	1	54	0.0	-61.33	406.86	8.32	-53.01
CCC(CC)(CNC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002051155	0	58	0.0	-68.06	432.93	10.22	-57.84
CCC(CC)(CNC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002051169	0	58	0.0	-74.10	437.89	12.24	-61.86
CCC(CC)(CNC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002051169	1	58	0.0	-72.95	437.90	12.25	-60.70
CCC(CC)(CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002051170	0	58	0.0	-48.58	414.61	11.13	-37.45
CCC(CC)(CNC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300002051253	0	54	0.0	-45.55	367.72	8.82	-36.73
CCC(CC)(CNC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002051256	0	54	0.0	-58.14	381.45	8.77	-49.37
CCC(CC)(CNC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002051256	1	54	0.0	-55.01	376.74	8.91	-46.10
CCC(CC)(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002051280	1	55	0.0	-52.46	398.70	10.23	-42.23
CCC(CC)(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002051280	1	55	0.0	-49.51	395.66	10.54	-38.97
CCC(CC)(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002051281	1	52	0.0	-54.97	394.35	9.93	-45.04
CCC(CC)(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002051281	1	52	0.0	-48.51	385.43	9.31	-39.20
CCC(CC)(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002051335	0	48	0.0	-69.66	371.87	8.16	-61.50
CCC(CC)(CNC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300002051340	0	58	0.0	-71.09	431.61	10.09	-61.00
CCC(CC)(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300002051366	0	55	0.0	-47.47	378.98	9.15	-38.32
CCC(CC)(CNC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300002051366	1	55	0.0	-48.35	379.08	9.33	-39.02
CCC(CC)(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002051367	0	56	0.0	-63.53	392.11	7.77	-55.76
CCC(CC)(CNC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300002051395	1	52	0.0	-64.46	378.64	7.09	-57.37
CC[N@H+](CC1=CC=C(C(=O)NCC(CC)(CC)C(=O)[O-])C=C1)C(C)C	REAL300002051397	0	57	0.0	-66.99	409.73	10.27	-56.72
CC[N@@H+](CC1=CC=C(C(=O)NCC(CC)(CC)C(=O)[O-])C=C1)C(C)C	REAL300002051397	1	57	0.0	-65.63	398.37	10.14	-55.49
CCC(CC)(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002051421	0	52	0.0	-58.69	386.05	9.99	-48.70
CCC(CC)(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002051421	1	52	0.0	-57.67	385.38	10.00	-47.67
CCC(CC)(CNC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002051422	0	53	0.0	-66.22	380.19	9.13	-57.09
CCC(CC)(CNC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300002051445	1	57	0.0	-61.61	411.74	8.62	-52.99
CCC(CC)(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002051446	0	56	0.0	-57.18	375.64	7.23	-49.95
CCC(CC)(CNC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002051449	0	51	0.0	-48.53	377.01	9.47	-39.06
CCC(CC)(CNC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002051449	1	51	0.0	-51.35	377.82	9.14	-42.21
CCC(CC)(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002051459	0	58	0.0	-51.50	415.73	11.58	-39.92
CCC(CC)(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002051459	1	58	0.0	-55.01	420.42	11.43	-43.58
CCC(CC)(CNC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300002051490	0	47	0.0	-67.22	354.79	7.50	-59.72
CCC[NH+](CCC)CCCC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300002051501	0	56	0.0	-61.56	405.59	9.38	-52.18
CCC(CC)(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300002051502	1	56	0.0	-51.58	410.36	7.33	-44.25
CC[N@H+](C)C(C(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=CC=C1	REAL300002051503	0	51	0.0	-54.21	370.37	9.11	-45.10
CC[N@@H+](C)C(C(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=CC=C1	REAL300002051503	1	51	0.0	-47.27	375.55	9.31	-37.96
CC[NH+](CC)C(C(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=CC=C1	REAL300002051508	0	54	0.0	-42.18	380.00	9.61	-32.57
CCC(CC)(CNC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300002051514	1	48	0.0	-50.78	374.43	9.18	-41.60
CCC(CC)(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002051528	0	52	0.0	-70.16	385.11	9.73	-60.43
CCC(CC)(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002051535	0	55	0.0	-67.79	400.58	10.83	-56.96
CCN1CCC([NH+]2CCC(C(=O)NCC(CC)(CC)C(=O)[O-])CC2)CC1	REAL300002051541	0	63	0.0	-63.09	437.90	8.13	-54.96
CCC(CC)(CNC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300002051548	1	59	0.0	-73.89	436.02	9.54	-64.35
CCC(CC)(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002051557	1	56	0.0	-65.86	405.88	9.81	-56.05
CCC(CC)(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002051557	1	56	0.0	-68.61	410.65	9.66	-58.95
CCC(CC)(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002051571	0	55	0.0	-49.07	392.27	10.16	-38.91
CCC(CC)(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002051571	1	55	0.0	-49.13	392.22	10.16	-38.97
CCC(CC)(CNC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002051573	1	46	0.0	-71.31	352.49	7.18	-64.13
CCC(CC)(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002051581	0	55	0.0	-69.55	397.73	10.63	-58.92
CCC(CC)(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300002051593	1	48	0.0	-71.21	361.74	7.42	-63.79
CCC(CC)(CNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002051594	0	51	0.0	-74.42	383.68	9.50	-64.92
CCC(CC)(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002051602	1	53	0.0	-44.90	385.29	9.20	-35.70
CCC(CC)(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002051602	1	53	0.0	-61.89	390.05	9.05	-52.84
CCC(CC)(CNC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300002051608	0	62	0.0	-61.08	440.03	11.72	-49.36
CCC(CC)(CNC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300002051608	1	62	0.0	-64.08	447.22	12.00	-52.08
CCC(CC)(CNC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002051616	0	61	0.0	-52.86	435.88	11.51	-41.35
CCC(CC)(CNC(=O)C(C)[NH+]1CCSCC1)C(=O)[O-]	REAL300002051648	1	46	0.0	-49.66	332.61	7.10	-42.56
CCC(CC)(CNC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002051655	0	51	0.0	-56.60	382.17	9.61	-46.99
CCC(CC)(CNC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002051655	1	51	0.0	-53.40	377.46	9.77	-43.63
CCC(CC)(CNC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300002051656	0	55	0.0	-61.19	411.21	5.80	-55.39
CCC(CC)(CNC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300002051656	1	55	0.0	-59.77	411.16	5.79	-53.98
CCC(CC)(CNC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300002051659	0	49	0.0	-59.10	353.34	5.52	-53.58
CCC(CC)(CNC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300002051659	1	49	0.0	-55.01	343.64	5.32	-49.69
CCC(CC)(CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002051667	0	60	0.0	-63.83	434.68	9.64	-54.19
CCC(CC)(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300002051668	1	54	0.0	-49.22	382.57	8.59	-40.63
CCC(CC)(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300002051668	1	54	0.0	-46.75	391.96	8.73	-38.02
CCCCCC[N@H+](C)CC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300002051670	0	53	0.0	-54.30	386.76	8.92	-45.38
CCCCCC[N@@H+](C)CC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300002051670	1	53	0.0	-54.27	386.76	8.92	-45.35
CCC(CC)(CNC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300002051694	0	46	0.0	-56.08	342.37	7.39	-48.69
CCC(CC)(CNC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300002051694	1	46	0.0	-53.61	339.05	7.56	-46.05
CCC(CC)(CNC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002051705	0	56	0.0	-62.97	398.38	6.35	-56.62
CCC(CC)(CNC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002051705	1	56	0.0	-58.06	394.69	6.14	-51.92
CCC(CC)(CNC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002051706	0	59	0.0	-62.15	417.23	7.48	-54.67
CCC(CC)(CNC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002051706	1	59	0.0	-59.71	413.54	7.27	-52.44
CCC(CC)(CNC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300002051708	0	48	0.0	-74.27	367.34	6.68	-67.59
CCC(CC)(CNC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300002051713	0	60	0.0	-59.07	432.53	9.33	-49.74
CCC(CC)(CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002051715	0	57	0.0	-59.45	413.17	8.84	-50.61
CCC(CC)(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002051719	0	54	0.0	-63.70	399.11	8.61	-55.09
CCC(CC)(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002051719	1	54	0.0	-59.62	396.32	8.84	-50.78
CCC(CC)(CNC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002051724	1	52	0.0	-53.04	378.07	9.74	-43.30
CCC(CC)(CNC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002051724	1	52	0.0	-50.18	381.39	9.54	-40.64
CCC(CC)(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002051752	0	55	0.0	-62.20	401.40	10.47	-51.73
CCC(CC)(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002051752	1	55	0.0	-64.71	407.85	10.40	-54.31
CCC(CC)(CNC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002051764	0	48	0.0	-73.33	363.01	6.84	-66.49
CCC(CC)(CNC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300002051765	0	48	0.0	-60.36	362.69	6.67	-53.69
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300002051770	1	49	0.0	-51.65	364.28	8.53	-43.12
CCC(CC)(CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002051784	0	55	0.0	-63.43	410.58	10.44	-52.99
CCC(CC)(CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002051784	1	55	0.0	-58.65	404.28	10.63	-48.02
CCC(CC)(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300002051785	1	51	0.0	-51.55	377.64	7.68	-43.87
CCC(CC)(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300002051785	1	51	0.0	-50.11	376.59	7.47	-42.64
CCC(CC)(CNC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300002051789	0	49	0.0	-51.74	353.73	6.04	-45.70
CCC(CC)(CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002051790	0	56	0.0	-61.44	413.56	7.92	-53.52
CCC(CC)(CNC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002051836	1	55	0.0	-65.38	397.92	8.94	-56.44
CCC(CC)(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002051837	0	55	0.0	-56.17	387.70	9.04	-47.13
CCC(CC)(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002051837	1	55	0.0	-52.84	383.00	9.20	-43.64
CCC(CC)(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002051857	0	60	0.0	-63.87	436.97	9.15	-54.72
CCC(CC)(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002051857	1	60	0.0	-63.08	435.42	9.31	-53.77
CCC(CC)(CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300002051864	0	52	0.0	-53.61	363.83	6.27	-47.34
CCC(CC)(CNC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002051867	0	61	0.0	-68.87	434.11	8.67	-60.20
CCC(CC)(CNC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002051867	1	61	0.0	-51.01	421.04	8.57	-42.44
CCC(CC)(CNC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002051868	0	55	0.0	-62.50	393.77	7.64	-54.86
CCC(CC)(CNC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002051868	1	55	0.0	-56.81	388.70	7.63	-49.18
CCC(CC)(CNC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300002051874	0	57	0.0	-70.21	419.87	8.08	-62.13
CCC(CC)(CNC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002051875	0	57	0.0	-67.60	418.93	7.90	-59.70
CCC(CC)(CNC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300002051875	1	57	0.0	-71.36	419.26	7.96	-63.40
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300002051876	0	58	0.0	-70.84	422.36	9.52	-61.32
CCC(CC)(CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002051978	0	59	0.0	-74.13	434.42	7.82	-66.31
CCC(CC)(CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300002051982	0	48	0.0	-69.50	361.19	8.66	-60.84
CCC(CC)(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002051983	0	55	0.0	-59.94	404.17	10.37	-49.57
CCC(CC)(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002051983	1	55	0.0	-56.48	401.45	10.68	-45.80
CCC(CC)(CNC(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300002052039	0	48	0.0	-53.29	349.15	9.05	-44.24
CC[NH+]1CCN(CCC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300002052041	0	53	0.0	-62.89	377.82	6.00	-56.89
CCN1CC[NH+](CCC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300002052041	1	53	0.0	-55.53	378.99	6.15	-49.38
CCC(CC)(CNC(=O)C(C(C)C)[NH+]1CCCCC1)C(=O)[O-]	REAL300002052044	0	54	0.0	-44.99	364.69	9.41	-35.58
CCC(CC)(CNC(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300002052045	1	48	0.0	-45.57	353.01	8.83	-36.74
CCC(CC)(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002052049	0	53	0.0	-56.02	396.08	6.60	-49.42
CCC(CC)(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002052049	1	53	0.0	-54.25	393.21	6.57	-47.68
CCC(CC)(CNC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300002052054	1	49	0.0	-53.79	368.47	8.33	-45.46
CCC(CC)(CNC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300002052055	0	51	0.0	-59.77	383.65	9.17	-50.60
CCC(CC)(CNC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300002052059	0	52	0.0	-49.87	358.99	8.50	-41.37
CCC(CC)(CNC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300002052059	1	52	0.0	-50.65	352.80	8.63	-42.02
CCC(CC)(CNC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300002052083	1	58	0.0	-54.72	408.37	8.19	-46.53
CCC(CC)(CNC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002052110	1	53	0.0	-74.35	391.27	9.26	-65.09
CCC(CC)(CNC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002052110	1	53	0.0	-75.60	395.11	9.27	-66.33
CC[NH+](CC)CC1=CC=C(C(=O)NCC(CC)(CC)C(=O)[O-])O1	REAL300002052163	0	51	0.0	-64.64	383.23	8.36	-56.28
CCC(CC)(CNC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300002052164	1	54	0.0	-60.59	397.06	8.26	-52.33
CCC(CC)(CNC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002052165	1	48	0.0	-55.92	359.70	8.76	-47.16
CCC(CC)(CNC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002052165	1	48	0.0	-55.91	359.69	8.76	-47.15
CCC(CC)(CNC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300002052168	0	60	0.0	-68.94	424.49	9.18	-59.76
CCC(CC)(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002052179	1	43	0.0	-71.09	340.16	6.92	-64.17
CCC(CC)(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002052213	0	55	0.0	-65.26	408.79	10.24	-55.02
CCC(CC)(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002052213	1	55	0.0	-63.10	405.08	10.48	-52.62
CCC(CC)(CNC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002052231	0	56	0.0	-71.12	420.81	9.81	-61.31
CCC(CC)(CNC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300002052246	0	49	0.0	-66.53	358.28	7.42	-59.11
CCC(CC)(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002052250	0	52	0.0	-66.49	389.18	8.86	-57.63
CCC(CC)(CNC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002052281	0	54	0.0	-60.75	397.00	8.39	-52.36
CCC(CC)(CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002052281	1	54	0.0	-58.06	394.50	8.71	-49.35
CCC(CC)(CNC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300002052441	1	49	0.0	-50.70	352.12	4.51	-46.19
CCC(CC)(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002052526	0	56	0.0	-55.69	411.80	10.63	-45.06
CCC(CC)(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002052526	1	56	0.0	-64.36	412.79	10.64	-53.72
CCC(CC)(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300002052558	1	55	0.0	-56.77	396.81	10.17	-46.60
CCC(CC)(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300002052558	1	55	0.0	-50.60	405.98	10.70	-39.90
CCC(CC)(CNC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002052641	0	45	0.0	-53.33	340.55	6.68	-46.65
CCC(CC)(CNC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002052641	1	45	0.0	-65.11	346.41	7.01	-58.10
CCC(CC)(CNC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300002053074	0	51	0.0	-72.09	383.68	9.49	-62.60
CCC(CC)(CNC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002053080	0	52	0.0	-72.04	390.98	8.45	-63.59
CCC(CC)(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002053159	0	58	0.0	-61.80	418.03	11.26	-50.54
CCC(CC)(CNC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002053161	1	56	0.0	-72.97	407.44	9.04	-63.93
CCC(CC)(CNC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002053161	1	56	0.0	-71.48	403.88	8.99	-62.49
CCC(CC)(CNC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300002053245	0	54	0.0	-53.21	377.97	9.08	-44.13
CCC(CC)(CNC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300002053245	1	54	0.0	-53.21	377.97	9.08	-44.13
CCC(CC)(CNC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300002053253	0	54	0.0	-67.53	373.01	8.29	-59.24
CCC(CC)(CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300002053253	1	54	0.0	-67.53	373.01	8.29	-59.24
C=CC(C)C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002054258	0	50	0.0	-75.22	382.81	9.94	-65.28
C=CC(C)C(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300002055488	1	49	0.0	-71.68	393.79	7.99	-63.69
C=CC(C)C(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002055533	0	53	0.0	-79.12	415.02	9.48	-69.64
C=CC(C)C(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002055538	0	53	0.0	-77.56	422.82	12.10	-65.46
C=CC(C)C(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002055538	1	53	0.0	-76.59	422.83	12.11	-64.48
C=CC(C)C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002055649	0	43	0.0	-75.77	355.60	7.68	-68.09
C=CC(C)C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002055667	0	51	0.0	-73.40	376.97	7.27	-66.13
C=CC(C)C(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002055685	0	52	0.0	-80.04	387.27	9.97	-70.07
C=CC(C)C(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002055685	1	52	0.0	-76.74	383.94	9.71	-67.03
C=CC(C)C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002055700	0	47	0.0	-67.54	365.20	9.14	-58.40
C=CC(C)C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002055700	1	47	0.0	-63.52	368.40	9.38	-54.14
C=CC(C)C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002055701	0	48	0.0	-72.85	361.05	8.43	-64.42
C=CC(C)C(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002055722	0	51	0.0	-66.18	363.76	6.94	-59.24
C=CC(C)C(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002055725	0	46	0.0	-62.00	356.18	8.80	-53.20
C=CC(C)C(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002055725	1	46	0.0	-60.05	361.21	9.03	-51.02
C=CC(C)C(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002055731	0	53	0.0	-70.09	411.61	11.08	-59.01
C=CC(C)C(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002055731	1	53	0.0	-59.22	403.84	11.31	-47.91
C=CC(C)C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002055766	0	47	0.0	-79.67	368.52	9.61	-70.06
C=CC(C)C(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002055770	0	50	0.0	-71.17	386.16	10.38	-60.79
C=CC(C)C(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300002055776	0	58	0.0	-71.40	416.87	7.71	-63.69
C=CC(C)C(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300002055782	1	54	0.0	-81.56	419.43	9.41	-72.15
C=CC(C)C(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002055792	1	51	0.0	-76.62	393.99	9.52	-67.10
C=CC(C)C(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002055792	1	51	0.0	-79.77	390.21	9.22	-70.55
C=CC(C)C(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002055806	1	41	0.0	-77.28	339.42	6.85	-70.43
C=CC(C)C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002055809	0	50	0.0	-81.00	387.37	10.33	-70.67
C=CC(C)C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300002055819	1	43	0.0	-78.61	345.41	6.87	-71.74
C=CC(C)C(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002055820	0	46	0.0	-82.34	367.08	9.37	-72.97
C=CC(C)C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002055823	1	48	0.0	-55.01	373.41	8.91	-46.10
C=CC(C)C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002055823	1	48	0.0	-57.09	374.98	8.90	-48.19
C=CC(C)C(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002055831	0	56	0.0	-55.91	420.81	11.37	-44.54
C=CC(C)C(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002055857	0	46	0.0	-62.98	361.13	9.21	-53.77
C=CC(C)C(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002055857	1	46	0.0	-61.84	360.35	9.24	-52.60
C=CC(C)C(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300002055858	0	50	0.0	-67.30	390.79	5.36	-61.94
C=CC(C)C(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300002055858	1	50	0.0	-66.18	394.62	5.66	-60.52
C=CC(C)C(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002055864	0	55	0.0	-73.73	416.29	8.90	-64.83
C=CC(C)C(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002055888	0	51	0.0	-69.12	381.79	6.21	-62.91
C=CC(C)C(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002055888	1	51	0.0	-63.93	379.63	5.99	-57.94
C=CC(C)C(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002055889	0	54	0.0	-70.60	397.79	6.72	-63.88
C=CC(C)C(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002055889	1	54	0.0	-70.07	395.16	6.53	-63.54
C=CC(C)C(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300002055893	0	55	0.0	-67.91	422.16	9.03	-58.88
C=CC(C)C(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002055894	0	52	0.0	-68.21	400.76	8.36	-59.85
C=CC(C)C(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002055897	0	49	0.0	-68.22	377.28	8.22	-60.00
C=CC(C)C(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002055897	1	49	0.0	-67.67	372.42	8.39	-59.28
C=CC(C)C(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002055901	1	47	0.0	-59.13	355.97	9.31	-49.82
C=CC(C)C(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002055901	1	47	0.0	-58.24	356.68	9.31	-48.93
C=CC(C)C(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002055917	0	50	0.0	-73.77	387.69	9.98	-63.79
C=CC(C)C(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002055917	1	50	0.0	-72.21	393.42	10.26	-61.95
C=CC(C)C(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002055934	0	50	0.0	-67.51	383.28	10.22	-57.29
C=CC(C)C(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002055934	1	50	0.0	-61.63	382.52	10.26	-51.37
C=CC(C)C(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002055936	0	51	0.0	-68.33	398.49	7.77	-60.56
C=CC(C)C(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002055956	1	50	0.0	-75.75	382.79	8.43	-67.32
C=CC(C)C(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002055957	0	50	0.0	-62.15	372.42	8.98	-53.17
C=CC(C)C(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002055957	1	50	0.0	-65.92	367.16	8.77	-57.15
C=CC(C)C(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300002055973	0	52	0.0	-75.43	397.77	7.66	-67.77
C=CC(C)C(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002055974	0	52	0.0	-78.68	396.83	7.48	-71.20
C=CC(C)C(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300002055974	1	52	0.0	-80.88	402.67	7.83	-73.05
C=CC(C)C(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300002055975	0	53	0.0	-78.19	411.10	9.66	-68.53
C=CC(C)C(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002056025	0	54	0.0	-81.42	417.83	7.69	-73.73
C=CC(C)C(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002056027	0	50	0.0	-61.52	376.74	10.18	-51.34
C=CC(C)C(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002056027	1	50	0.0	-64.87	383.75	9.93	-54.94
C=CC(C)C(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002056105	1	48	0.0	-81.50	373.88	8.68	-72.82
C=CC(C)C(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002056105	1	48	0.0	-81.70	374.09	8.65	-73.05
C=CC(C)C(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300002056143	0	46	0.0	-72.36	361.07	7.92	-64.44
C=CC(C)C(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300002056145	1	49	0.0	-69.87	374.98	7.83	-62.04
C=CC(C)C(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300002056148	0	55	0.0	-82.93	407.10	8.61	-74.32
C=CC(C)C(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002056155	1	38	0.0	-77.98	320.53	6.24	-71.74
C=CC(C)C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002056179	0	50	0.0	-74.30	391.59	10.00	-64.30
C=CC(C)C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002056179	1	50	0.0	-68.61	392.70	10.09	-58.52
C=CC(C)C(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002056194	0	51	0.0	-81.84	403.42	9.24	-72.60
C=CC(C)C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002056206	0	47	0.0	-77.99	367.08	8.36	-69.63
C=CC(C)C(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002056440	0	40	0.0	-66.96	321.45	6.63	-60.33
C=CC(C)C(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002056440	1	40	0.0	-64.15	324.87	6.48	-57.67
C=CC(C)C(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300002056716	0	46	0.0	-77.88	363.30	9.09	-68.79
C=CC(C)C(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002056719	0	47	0.0	-80.49	374.38	8.33	-72.16
C=CC(C)C(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002056777	0	53	0.0	-68.36	407.66	10.96	-57.40
C=CC(C)C(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002056779	1	51	0.0	-84.24	388.17	8.42	-75.82
C=CC(C)C(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002056779	1	51	0.0	-85.40	387.55	8.44	-76.96
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)OC1=CC=C(F)C=C1	REAL300002058266	0	51	0.0	-58.49	408.79	10.09	-48.40
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)OC1=CC=C(F)C=C1	REAL300002058266	1	51	0.0	-58.25	407.84	10.11	-48.14
O=C([O-])C(CNC(=O)C1CC[NH+](C2CC2)CC1)OC1=CC=C(F)C=C1	REAL300002059060	0	48	0.0	-68.05	384.05	8.99	-59.06
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CC1)OC1=CC=C(F)C=C1	REAL300002059085	0	45	0.0	-57.90	367.67	8.44	-49.46
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CC1)OC1=CC=C(F)C=C1	REAL300002059085	1	45	0.0	-61.03	360.57	7.75	-53.28
CC1=[NH+]C=C2CCC(C(=O)NCC(OC3=CC=C(F)C=C3)C(=O)[O-])CN12	REAL300002059091	1	46	0.0	-60.73	378.33	8.74	-51.99
C[N@@H+]1CCCCC1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059168	0	44	0.0	-58.77	352.15	7.50	-51.27
C[N@H+]1CCCCC1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059168	1	44	0.0	-58.88	351.91	7.57	-51.31
CC(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300002059169	1	49	0.0	-67.94	383.16	5.80	-62.14
C[N@@H+]1CCCC[C@H]1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059208	0	44	0.0	-58.98	351.90	7.58	-51.40
C[N@H+]1CCCC[C@H]1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059208	1	44	0.0	-61.36	342.80	7.35	-54.01
C[NH+]1CCC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300002059288	0	44	0.0	-70.94	354.26	7.63	-63.31
O=C([O-])C(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)OC1=CC=C(F)C=C1	REAL300002059318	0	39	0.0	-67.67	340.15	9.47	-58.20
C[NH+](C)CC1(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CCCCC1	REAL300002059351	0	53	0.0	-63.79	395.17	9.18	-54.61
C[N@H+](CCC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1CCCCC1	REAL300002059356	0	53	0.0	-67.20	408.60	9.52	-57.68
C[N@@H+](CCC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1CCCCC1	REAL300002059356	1	53	0.0	-67.18	408.60	9.53	-57.65
C[N@@H+]1CCCC1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059372	0	41	0.0	-61.51	330.11	6.46	-55.05
C[N@H+]1CCCC1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059372	1	41	0.0	-61.03	330.23	6.52	-54.51
C[NH+]1CCC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300002059425	0	44	0.0	-70.94	354.26	7.63	-63.31
O=C([O-])C(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)OC1=CC=C(F)C=C1	REAL300002059429	0	47	0.0	-72.79	398.86	8.58	-64.21
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)OC1=CC=C(F)C=C1	REAL300002059447	0	54	0.0	-56.73	406.96	9.67	-47.06
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1C1CCCC1)OC1=CC=C(F)C=C1	REAL300002059447	1	54	0.0	-58.48	402.59	9.92	-48.56
O=C([O-])C(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)OC1=CC=C(F)C=C1	REAL300002059448	0	55	0.0	-63.11	415.40	8.05	-55.06
CC1=[NH+]C=CN1CCCC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059481	1	45	0.0	-65.01	380.65	8.88	-56.13
O=C([O-])C(CNC(=O)CCCC[NH+]1CCOCC1)OC1=CC=C(F)C=C1	REAL300002059482	1	51	0.0	-72.34	408.44	7.52	-64.82
C[N@@H+]1CCC[C@@H]1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059487	0	41	0.0	-61.47	330.36	6.50	-54.97
C[N@H+]1CCC[C@@H]1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059487	1	41	0.0	-59.94	335.28	7.00	-52.94
C[NH+](C)C1(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300002059496	0	41	0.0	-65.40	331.56	7.24	-58.16
O=C([O-])C(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)OC1=CC=C(F)C=C1	REAL300002059539	0	51	0.0	-67.33	415.16	10.36	-56.97
O=C([O-])C(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)OC1=CC=C(F)C=C1	REAL300002059539	1	51	0.0	-66.45	415.17	10.43	-56.02
O=C([O-])C(CNC(=O)C1CC[NH+](C2CCSC2)CC1)OC1=CC=C(F)C=C1	REAL300002059540	0	52	0.0	-75.62	414.00	9.81	-65.81
O=C([O-])C(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)OC1=CC=C(F)C=C1	REAL300002059562	0	55	0.0	-67.25	406.71	7.83	-59.42
CCC(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])[NH+](CC)CC	REAL300002059566	0	49	0.0	-56.16	376.51	8.22	-47.94
CC(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002059568	0	50	0.0	-62.88	405.30	9.93	-52.95
CC(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002059568	1	50	0.0	-63.01	405.00	9.90	-53.11
C[NH+](C)CC1=CC=C(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300002059597	0	46	0.0	-73.20	383.93	7.61	-65.59
CCC[NH+](CCC)CCCC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059602	0	55	0.0	-68.18	428.48	9.85	-58.33
CC[N@H+](C)C(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300002059603	0	50	0.0	-59.92	398.31	9.90	-50.02
CC[N@@H+](C)C(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300002059603	1	50	0.0	-57.25	403.57	10.03	-47.22
C[N@@H+]1CCOC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002059605	1	42	0.0	-64.72	340.27	6.27	-58.45
C[N@H+]1CCOC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002059605	1	42	0.0	-73.73	347.55	6.38	-67.35
CC[NH+](CC)C(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300002059607	0	53	0.0	-58.95	409.48	10.26	-48.69
CC(C)C1=[NH+]C=CN1CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059616	1	45	0.0	-59.05	375.84	8.64	-50.41
C[NH+](C)C(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002059621	1	47	0.0	-62.62	401.65	9.94	-52.68
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)OC1=CC=C(F)C=C1	REAL300002059632	0	51	0.0	-76.27	412.94	10.61	-65.66
C[NH+](C)CC1(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300002059641	0	44	0.0	-63.24	362.35	7.67	-55.57
C[NH+](C)CCCCC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059649	0	46	0.0	-70.78	375.54	8.06	-62.72
CC(C)C(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])[NH+](C)C	REAL300002059657	0	46	0.0	-61.87	358.57	8.13	-53.74
CC1=C(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002059667	1	45	0.0	-75.93	385.26	7.84	-68.09
O=C([O-])C(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)OC1=CC=C(F)C=C1	REAL300002059685	1	47	0.0	-74.41	393.39	8.07	-66.34
C[NH+](C)CCC1=CC=C(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300002059686	0	50	0.0	-78.96	410.32	10.30	-68.66
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059696	1	43	0.0	-57.54	359.33	7.04	-50.50
CCC[N@H+](C)CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059706	0	43	0.0	-62.49	348.91	7.38	-55.11
CCC[N@@H+](C)CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059706	1	43	0.0	-62.60	349.42	7.32	-55.28
C[N@H+](CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1CCC1	REAL300002059728	0	44	0.0	-60.13	356.41	7.90	-52.23
C[N@@H+](CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1CCC1	REAL300002059728	1	44	0.0	-60.47	356.31	7.89	-52.58
CC(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCSCC1	REAL300002059751	1	45	0.0	-62.12	364.90	7.96	-54.16
C[N@H+](CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])CC(C)(C)C	REAL300002059754	0	49	0.0	-62.07	377.47	8.30	-53.77
C[N@@H+](CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])CC(C)(C)C	REAL300002059754	1	49	0.0	-61.74	379.86	8.45	-53.29
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059756	0	50	0.0	-66.02	409.33	10.36	-55.66
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059756	1	50	0.0	-66.08	409.32	10.35	-55.73
COCCOCC[N@H+](C)CCC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059757	0	54	0.0	-66.67	438.33	6.56	-60.11
COCCOCC[N@@H+](C)CCC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059757	1	54	0.0	-68.47	438.37	6.56	-61.91
CC[C@@H](C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])[NH+](C)C	REAL300002059761	0	43	0.0	-59.23	340.14	7.04	-52.19
C[N@@H+]1CCCC(O)(CC(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002059763	0	48	0.0	-61.77	370.81	6.15	-55.62
C[N@H+]1CCCC(O)(CC(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002059763	1	48	0.0	-61.48	380.15	6.35	-55.13
CCCCCC[N@H+](C)CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059785	0	52	0.0	-63.69	413.71	9.74	-53.95
CCCCCC[N@@H+](C)CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059785	1	52	0.0	-63.58	413.40	9.72	-53.86
O=C([O-])C(CNC(=O)C12CCC[NH+]1CCC2)OC1=CC=C(F)C=C1	REAL300002059795	0	45	0.0	-62.26	354.91	7.91	-54.35
O=C([O-])C(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)OC1=CC=C(F)C=C1	REAL300002059803	1	39	0.0	-72.83	340.42	9.49	-63.34
C[N@H+](CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1CCSC1	REAL300002059815	0	45	0.0	-66.89	369.17	8.20	-58.69
C[N@@H+](CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1CCSC1	REAL300002059815	1	45	0.0	-66.25	368.95	8.22	-58.03
CC(C)[NH+]1CCN(CCC(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300002059832	0	55	0.0	-67.86	425.54	7.10	-60.76
CC(C)N1CC[NH+](CCC(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300002059832	1	55	0.0	-66.96	421.86	6.90	-60.06
CC(C)[NH+]1CCN(CCCC(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300002059833	0	58	0.0	-67.03	447.04	7.91	-59.12
CC(C)N1CC[NH+](CCCC(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300002059833	1	58	0.0	-68.93	443.35	7.69	-61.24
O=C([O-])C(CNC(=O)C1CCCC2CCC[N@@H+]21)OC1=CC=C(F)C=C1	REAL300002059834	0	48	0.0	-55.40	374.60	8.76	-46.64
O=C([O-])C(CNC(=O)C1CCCC2CCC[N@H+]21)OC1=CC=C(F)C=C1	REAL300002059834	1	48	0.0	-60.23	366.73	8.56	-51.67
C[NH+](C)CCN1C=C(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300002059836	0	47	0.0	-76.23	394.29	7.47	-68.76
CC(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002059850	1	51	0.0	-61.46	408.23	10.42	-51.04
CC(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002059850	1	51	0.0	-62.44	405.04	10.54	-51.90
CCCC(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])[NH+](C)C	REAL300002059869	0	46	0.0	-59.99	362.88	7.79	-52.20
C[NH+](C)CCN1C=CC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300002059884	0	47	0.0	-79.95	394.67	7.48	-72.47
C[NH+](C)CCN1N=CC=C1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059885	0	47	0.0	-58.94	389.75	7.41	-51.53
C[C@@H]1[C@H](C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300002059888	0	44	0.0	-67.31	347.80	7.15	-60.16
C[C@@H]1[C@H](C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300002059888	1	44	0.0	-68.45	352.75	7.21	-61.24
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059890	1	48	0.0	-60.91	396.14	9.13	-51.78
CC[C@@H]1[C@@H](C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300002059893	0	47	0.0	-67.47	367.52	7.59	-59.88
CC[C@@H]1[C@@H](C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300002059893	1	47	0.0	-66.10	376.10	8.17	-57.93
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059896	1	43	0.0	-58.57	356.78	7.69	-50.88
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059896	1	43	0.0	-59.97	362.56	8.23	-51.74
CC1C[N@H+](C)CC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300002059902	1	45	0.0	-73.52	361.85	7.15	-66.37
CC1C[N@@H+](C)CC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300002059902	1	45	0.0	-64.96	361.15	7.00	-57.96
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)OC1=CC=C(F)C=C1	REAL300002059908	1	50	0.0	-58.61	405.57	8.47	-50.14
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)OC1=CC=C(F)C=C1	REAL300002059908	1	50	0.0	-57.72	403.84	8.24	-49.48
O=C([O-])C(CNC(=O)C[NH+]1CCCC1)OC1=CC=C(F)C=C1	REAL300002059910	0	41	0.0	-61.76	334.14	6.94	-54.82
CC1=[NH+]C=CN1CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059912	1	39	0.0	-60.01	339.11	7.58	-52.43
CC(C[NH+]1CCOCC1)C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059914	0	48	0.0	-67.17	381.48	6.65	-60.52
CC1CC[NH+](CC(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300002059932	0	47	0.0	-62.64	373.02	8.39	-54.25
CC[N@@H+]1CCOC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002059943	1	45	0.0	-62.80	358.23	6.86	-55.94
CC[N@H+]1CCOC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002059943	1	45	0.0	-63.90	358.23	6.87	-57.03
O=C([O-])C(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)OC1=CC=C(F)C=C1	REAL300002059979	0	54	0.0	-64.18	415.47	9.89	-54.29
O=C([O-])C(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)OC1=CC=C(F)C=C1	REAL300002059979	1	54	0.0	-66.76	415.44	9.78	-56.98
C[N@@H+]1CCCC1CCC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059985	0	47	0.0	-68.85	377.57	8.41	-60.44
C[N@H+]1CCCC1CCC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059985	1	47	0.0	-66.83	371.81	8.01	-58.82
O=C([O-])C(CNC(=O)C12CCC[NH+](CCC1)C2)OC1=CC=C(F)C=C1	REAL300002059997	0	48	0.0	-67.76	367.56	8.13	-59.63
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059999	0	45	0.0	-65.61	358.55	4.02	-61.59
C[N@H+]1CC(O)CC1(C)C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002059999	1	45	0.0	-63.77	357.51	4.34	-59.43
O=C([O-])C(CNC(=O)C1CCC2CCCC[N@@H+]21)OC1=CC=C(F)C=C1	REAL300002060000	0	48	0.0	-57.19	377.91	8.92	-48.27
O=C([O-])C(CNC(=O)C1CCC2CCCC[N@H+]21)OC1=CC=C(F)C=C1	REAL300002060000	1	48	0.0	-57.11	377.26	8.87	-48.24
CC(C)(C[NH+]1CCOCC1)C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060007	0	51	0.0	-62.69	391.25	7.06	-55.63
CC[NH+](CC)CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060022	0	43	0.0	-61.02	345.99	7.25	-53.77
CC(C)[NH+]1CCC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300002060024	0	50	0.0	-68.07	385.45	8.54	-59.53
O=C([O-])C(CNC(=O)C12CC[NH+](CC1)C2)OC1=CC=C(F)C=C1	REAL300002060105	0	42	0.0	-68.42	341.60	6.49	-61.93
CCC(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])[NH+](C)C	REAL300002060108	0	43	0.0	-59.18	339.64	7.07	-52.11
O=C([O-])C(CNC(=O)C12CC[N@H+](C1)CCC2)OC1=CC=C(F)C=C1	REAL300002060116	0	45	0.0	-70.23	352.10	7.15	-63.08
O=C([O-])C(CNC(=O)C12CC[N@@H+](C1)CCC2)OC1=CC=C(F)C=C1	REAL300002060116	1	45	0.0	-67.67	351.73	7.14	-60.53
CC1CCC(C)[NH+]1CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060160	0	47	0.0	-58.48	366.76	7.78	-50.70
C[NH+](C)CC1=CC=CC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300002060161	0	47	0.0	-71.89	388.19	9.46	-62.43
C[NH+](C)C1(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CCC1	REAL300002060197	0	44	0.0	-64.54	341.00	7.48	-57.06
C#CC[NH+]1CCC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300002060223	0	46	0.0	-71.84	379.48	8.73	-63.11
CCC[N@@H+]1CCCCC1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060225	0	50	0.0	-59.79	382.02	8.81	-50.98
CCC[N@H+]1CCCCC1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060225	1	50	0.0	-58.11	391.61	8.98	-49.13
C[NH+](C)CC1=CC=CC=C1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060226	0	47	0.0	-54.44	380.82	9.69	-44.75
CC[NH+]1CCN(CCC(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300002060228	0	52	0.0	-69.73	407.63	6.43	-63.30
CCN1CC[NH+](CCC(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300002060228	1	52	0.0	-66.92	408.78	6.57	-60.35
CC(C)[N@H+](C)CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060229	0	43	0.0	-60.09	344.61	7.12	-52.97
CC(C)[N@@H+](C)CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060229	1	43	0.0	-60.11	344.40	7.18	-52.93
CC(C)C(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300002060230	0	53	0.0	-57.39	396.61	9.82	-47.57
C[NH+](C)C(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300002060231	1	47	0.0	-59.37	384.88	9.41	-49.96
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060239	1	48	0.0	-60.31	395.60	9.08	-51.23
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CCCC1)OC1=CC=C(F)C=C1	REAL300002060246	0	51	0.0	-58.93	397.22	9.60	-49.33
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CCCC1)OC1=CC=C(F)C=C1	REAL300002060246	1	51	0.0	-61.33	387.71	9.40	-51.93
CC[N@H+](CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1CC1	REAL300002060248	0	44	0.0	-58.95	360.23	8.00	-50.95
CC[N@@H+](CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1CC1	REAL300002060248	1	44	0.0	-61.35	352.19	7.85	-53.50
CC(C)C(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300002060273	1	57	0.0	-56.76	431.66	8.28	-48.48
CC(C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300002060274	0	50	0.0	-58.64	381.18	8.69	-49.95
C[N@@H+]1CCC[C@H]1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060277	0	41	0.0	-60.13	335.99	6.96	-53.17
C[N@H+]1CCC[C@H]1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060277	1	41	0.0	-61.06	330.20	6.52	-54.54
CC(C)(C)[NH2+]CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060358	0	43	0.0	-61.19	349.12	5.65	-55.54
CC[NH+](CC)CC1=CC=C(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300002060360	0	50	0.0	-70.45	410.25	9.14	-61.31
O=C([O-])C(CNC(=O)CCCC[NH+]1CCCC1)OC1=CC=C(F)C=C1	REAL300002060361	0	50	0.0	-69.22	401.51	9.23	-59.99
C[N@H+](CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300002060363	1	47	0.0	-66.35	386.84	9.52	-56.83
C[N@@H+](CC(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300002060363	1	47	0.0	-66.36	386.90	9.51	-56.85
CC(C)[C@@H](C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])[NH+](C)C	REAL300002060373	0	46	0.0	-62.09	359.72	8.11	-53.98
O=C([O-])C(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)OC1=CC=C(F)C=C1	REAL300002060391	1	42	0.0	-74.72	369.28	7.41	-67.31
C[NH+](C)CC1=CC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=NO1	REAL300002060416	1	43	0.0	-76.10	369.10	7.01	-69.09
CC(C)[N@@H+]1CCCC1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060430	0	47	0.0	-57.59	368.18	7.99	-49.60
CC(C)[N@H+]1CCCC1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060430	1	47	0.0	-58.52	369.12	8.04	-50.48
C[NH+]1CCC(OCC(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300002060452	0	48	0.0	-74.22	389.63	8.06	-66.16
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)OC1=CC=C(F)C=C1	REAL300002060456	0	51	0.0	-72.47	416.13	9.67	-62.80
CCC[N@@H+]1CCCC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002060630	0	50	0.0	-65.36	393.74	8.99	-56.37
CCC[N@H+]1CCCC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002060630	1	50	0.0	-65.20	393.73	9.00	-56.20
CC(C)C[N@@H+]1CCCC1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060658	0	50	0.0	-58.96	395.28	9.11	-49.85
CC(C)C[N@H+]1CCCC1C(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002060658	1	50	0.0	-59.92	389.13	8.58	-51.34
O=C([O-])C(CNC(=O)C[NH+]1CCC(CO)CC1)OC1=CC=C(F)C=C1	REAL300002060659	1	48	0.0	-63.47	383.85	5.08	-58.39
CC(C)[N@@H+]1CCCC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002060871	0	50	0.0	-57.98	382.84	8.92	-49.06
CC(C)[N@H+]1CCCC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002060871	1	50	0.0	-63.60	389.07	8.72	-54.88
C[N@@H+]1CC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300002060872	0	44	0.0	-73.82	364.47	7.72	-66.10
C[N@H+]1CC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300002060872	1	44	0.0	-69.55	367.54	7.43	-62.12
CC1=C(C)[NH+]=C(CCC(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])N1	REAL300002060895	1	45	0.0	-61.26	380.41	7.21	-54.05
C[NH+](C)CCC1=CC=CC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300002061358	0	50	0.0	-73.80	410.82	10.24	-63.56
C[NH+](C)CCOC1=CC=C(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300002061364	0	51	0.0	-76.38	417.90	9.27	-67.11
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002061499	0	44	0.0	-67.58	359.25	7.70	-59.88
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300002061503	0	50	0.0	-62.67	382.27	8.65	-54.02
CC1=[NH+]C=C2C=CC(C(=O)NCC(OC3=CC=C(F)C=C3)C(=O)[O-])=CN12	REAL300002061507	0	42	0.0	-63.60	361.56	9.24	-54.36
CC(C)C[N@@H+]1CCCC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002061568	0	53	0.0	-59.09	405.01	9.85	-49.24
CC(C)C[N@H+]1CCCC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002061568	1	53	0.0	-58.94	405.12	9.83	-49.11
CC[N@@H+]1CCCC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002061569	0	47	0.0	-64.86	372.22	8.25	-56.61
CC[N@H+]1CCCC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002061569	1	47	0.0	-58.49	365.96	8.45	-50.04
C[N@@H+]1CCCC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002061574	0	44	0.0	-58.37	348.04	7.78	-50.59
C[N@H+]1CCCC(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002061574	1	44	0.0	-58.51	348.47	7.75	-50.76
C[NH+](C)CC1=CC=C(C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300002061576	1	44	0.0	-73.91	374.56	7.79	-66.12
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002061582	0	53	0.0	-72.31	392.33	8.67	-63.64
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300002061582	1	53	0.0	-71.30	400.00	9.11	-62.19
O=C([O-])C(CNC(=O)C12CC(C1)C[N@H+]2C1CC1)OC1=CC=C(F)C=C1	REAL300002061585	1	46	0.0	-61.99	367.84	9.39	-52.60
C[NH+](C)CC(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-]	REAL300002061725	0	40	0.0	-68.27	343.71	7.32	-60.95
C[N@H+]1CCCC1C(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-]	REAL300002061741	1	44	0.0	-65.85	370.13	8.29	-57.56
C[C@@H](C(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-])[NH+](C)C	REAL300002061756	0	43	0.0	-68.25	359.57	7.70	-60.55
C[N@H+]1CCC[C@@H]1C(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-]	REAL300002061757	1	44	0.0	-64.86	367.74	8.36	-56.50
C[C@H](C(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-])[NH+](C)C	REAL300002061760	0	43	0.0	-64.52	360.65	7.69	-56.83
CCC[N@H+](C)CC(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-]	REAL300002061775	0	46	0.0	-66.66	382.87	8.72	-57.94
CCC[N@@H+](C)CC(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-]	REAL300002061775	1	46	0.0	-66.55	382.88	8.72	-57.83
CC[C@@H](C(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-])[NH+](C)C	REAL300002061779	0	46	0.0	-71.44	376.14	8.37	-63.07
O=C([O-])C(CC1=CNC2=CC=CC(Br)=C12)NC(=O)C[NH+]1CCCC1	REAL300002061789	0	44	0.0	-67.56	369.36	8.37	-59.19
CC[NH+](CC)CC(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-]	REAL300002061797	0	46	0.0	-66.97	375.04	8.32	-58.65
CCC(C(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-])[NH+](C)C	REAL300002061799	0	46	0.0	-61.79	373.90	8.32	-53.47
CC(C)[N@H+](C)CC(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-]	REAL300002061806	0	46	0.0	-64.77	378.04	8.50	-56.27
CC(C)[N@@H+](C)CC(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-]	REAL300002061806	1	46	0.0	-64.95	378.31	8.43	-56.52
C[N@H+]1CCC[C@H]1C(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-]	REAL300002061809	1	44	0.0	-71.92	363.85	7.79	-64.13
CC(C)(C)[NH2+]CC(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-]	REAL300002061815	0	46	0.0	-65.82	382.90	6.96	-58.86
O=C([O-])C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(F)C(F)=C1	REAL300002062774	0	50	0.0	-68.49	406.16	11.39	-57.10
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=C(F)C(F)=C1	REAL300002063975	0	44	0.0	-65.21	354.72	8.94	-56.27
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)CN12	REAL300002064000	1	42	0.0	-58.75	352.70	8.89	-49.86
CC(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)N1CC[NH+](C)CC1	REAL300002064066	1	45	0.0	-65.54	358.32	6.00	-59.54
C[N@@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064098	1	40	0.0	-52.10	327.04	7.76	-44.34
C[N@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064098	1	40	0.0	-59.86	317.90	7.51	-52.35
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300002064167	0	40	0.0	-65.70	329.25	7.79	-57.91
O=C([O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=C(F)C(F)=C1	REAL300002064191	0	35	0.0	-64.70	314.82	9.65	-55.05
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CCCCC1	REAL300002064222	0	49	0.0	-68.62	364.86	10.58	-58.04
C[N@H+](CCC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CCCCC1	REAL300002064226	0	49	0.0	-61.21	383.43	9.74	-51.47
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CCCCC1	REAL300002064226	1	49	0.0	-61.13	383.48	9.74	-51.39
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300002064282	0	40	0.0	-65.70	329.25	7.79	-57.91
O=C([O-])C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=C(F)C(F)=C1	REAL300002064285	0	43	0.0	-74.07	374.41	8.73	-65.34
O=C([O-])C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=CC=C(F)C(F)=C1	REAL300002064297	0	51	0.0	-49.91	387.73	8.21	-41.70
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064326	1	41	0.0	-60.59	355.64	9.04	-51.55
O=C([O-])C(NC(=O)CCCC[NH+]1CCOCC1)C1=CC=C(F)C(F)=C1	REAL300002064327	1	47	0.0	-69.21	383.57	7.66	-61.55
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1)C(C)C	REAL300002064329	0	52	0.0	-74.60	403.96	11.09	-63.51
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1)C(C)C	REAL300002064329	1	52	0.0	-75.16	403.56	10.93	-64.23
O=C([O-])C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(F)C(F)=C1	REAL300002064367	0	47	0.0	-64.56	388.63	10.55	-54.01
O=C([O-])C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(F)C(F)=C1	REAL300002064367	1	47	0.0	-64.61	388.25	10.53	-54.08
O=C([O-])C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=CC=C(F)C(F)=C1	REAL300002064368	0	48	0.0	-72.52	389.05	9.97	-62.55
O=C([O-])C(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=CC=C(F)C(F)=C1	REAL300002064392	0	51	0.0	-63.01	382.63	7.98	-55.03
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[NH+](CC)CC	REAL300002064396	0	45	0.0	-48.99	351.57	8.45	-40.54
CC(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002064398	0	46	0.0	-54.09	380.41	10.08	-44.01
CC(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002064398	1	46	0.0	-56.98	380.15	10.10	-46.88
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300002064418	0	42	0.0	-72.51	359.02	7.79	-64.72
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064424	0	51	0.0	-63.32	403.15	10.08	-53.24
C[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002064426	1	38	0.0	-65.62	315.27	6.45	-59.17
C[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002064426	1	38	0.0	-65.66	315.59	6.36	-59.30
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064434	1	41	0.0	-53.47	350.92	8.82	-44.65
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=CC=C(F)C(F)=C1	REAL300002064449	0	47	0.0	-75.03	387.61	10.78	-64.25
O=C([O-])C(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=CC=C(F)C(F)=C1	REAL300002064454	0	50	0.0	-69.46	404.37	11.48	-57.98
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300002064459	0	40	0.0	-66.90	335.79	7.84	-59.06
C[NH+](C)CCCCC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064467	0	42	0.0	-68.31	350.67	8.21	-60.10
CC1=C(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002064488	1	41	0.0	-75.07	361.03	7.98	-67.09
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=C(F)C(F)=C1	REAL300002064491	0	50	0.0	-75.94	404.97	11.44	-64.50
O=C([O-])C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=CC=C(F)C(F)=C1	REAL300002064503	1	43	0.0	-73.60	368.48	8.25	-65.35
C[NH+](C)CCC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300002064504	0	46	0.0	-79.27	385.91	10.41	-68.86
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064510	1	39	0.0	-53.60	334.57	7.16	-46.44
O=C([O-])C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1=CC=C(F)C(F)=C1	REAL300002064511	1	48	0.0	-70.42	399.39	10.11	-60.31
O=C([O-])C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=CC=C(F)C(F)=C1	REAL300002064511	1	48	0.0	-70.42	399.43	10.10	-60.32
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064518	0	39	0.0	-55.24	324.50	7.50	-47.74
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064518	1	39	0.0	-55.21	324.54	7.50	-47.71
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CCC1	REAL300002064532	0	40	0.0	-51.61	330.89	8.12	-43.49
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CCC1	REAL300002064532	1	40	0.0	-52.55	330.79	8.11	-44.44
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)CC(C)(C)C	REAL300002064559	0	45	0.0	-53.67	352.50	8.54	-45.13
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)CC(C)(C)C	REAL300002064559	1	45	0.0	-53.98	355.45	8.66	-45.32
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064561	0	46	0.0	-57.11	383.80	10.58	-46.53
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064561	1	46	0.0	-58.16	384.40	10.52	-47.64
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064562	0	50	0.0	-61.07	413.44	6.70	-54.37
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064562	1	50	0.0	-61.50	413.20	6.77	-54.73
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[NH+](C)C	REAL300002064565	0	39	0.0	-54.58	315.69	7.11	-47.47
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002064567	0	44	0.0	-64.14	352.11	6.55	-57.59
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002064567	1	44	0.0	-54.26	355.57	6.43	-47.83
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064579	0	48	0.0	-55.24	388.38	9.89	-45.35
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064579	1	48	0.0	-56.17	388.99	9.84	-46.33
O=C([O-])C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC=C(F)C(F)=C1	REAL300002064593	1	35	0.0	-71.43	315.70	9.60	-61.83
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CCSC1	REAL300002064604	0	41	0.0	-59.91	344.55	8.39	-51.52
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CCSC1	REAL300002064604	1	41	0.0	-58.54	344.55	8.34	-50.20
CC(C)[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300002064618	0	51	0.0	-64.02	400.01	7.30	-56.72
CC(C)N1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300002064618	1	51	0.0	-60.18	396.83	7.13	-53.05
CC(C)[NH+]1CCN(CCCC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300002064619	0	54	0.0	-64.49	421.92	8.13	-56.36
CC(C)N1CC[NH+](CCCC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300002064619	1	54	0.0	-64.48	418.42	7.84	-56.64
O=C([O-])C(NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC=C(F)C(F)=C1	REAL300002064620	0	44	0.0	-51.81	349.49	9.01	-42.80
O=C([O-])C(NC(=O)C1CCCC2CCC[N@H+]21)C1=CC=C(F)C(F)=C1	REAL300002064620	1	44	0.0	-49.60	349.42	9.01	-40.59
C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300002064622	0	43	0.0	-76.26	369.35	7.65	-68.61
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=CC=C(F)C(F)=C1	REAL300002064627	0	49	0.0	-64.48	395.05	9.71	-54.77
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=CC=C(F)C(F)=C1	REAL300002064627	1	49	0.0	-64.21	400.97	9.49	-54.72
CC(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002064632	1	47	0.0	-57.33	380.07	10.72	-46.61
CC(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002064632	1	47	0.0	-57.16	379.70	10.70	-46.46
O=C([O-])C(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(F)C(F)=C1	REAL300002064650	0	50	0.0	-70.16	407.59	11.25	-58.91
O=C([O-])C(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(F)C(F)=C1	REAL300002064650	1	50	0.0	-67.72	408.84	11.24	-56.48
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300002064663	0	43	0.0	-80.62	369.76	7.68	-72.94
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064664	0	43	0.0	-55.22	365.11	7.56	-47.66
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC[N@@H+]1C	REAL300002064666	0	40	0.0	-64.21	322.17	7.33	-56.88
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC[N@H+]1C	REAL300002064666	1	40	0.0	-65.08	326.34	7.28	-57.80
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064667	1	44	0.0	-56.61	371.26	9.29	-47.32
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC[N@@H+]1C	REAL300002064670	0	43	0.0	-61.30	342.08	7.84	-53.46
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC[N@H+]1C	REAL300002064670	1	43	0.0	-66.94	347.77	8.07	-58.87
CC1C[N@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)O1	REAL300002064677	1	41	0.0	-71.45	337.09	7.24	-64.21
CC1C[N@@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)O1	REAL300002064677	1	41	0.0	-71.44	337.19	7.24	-64.20
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064684	1	35	0.0	-53.44	314.70	7.70	-45.74
CC(C[NH+]1CCOCC1)C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064686	0	44	0.0	-61.52	356.55	6.81	-54.71
CC1CC[NH+](CC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300002064701	0	43	0.0	-54.19	347.64	8.64	-45.55
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002064712	1	41	0.0	-68.84	340.21	7.26	-61.58
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002064712	1	41	0.0	-47.86	332.77	7.07	-40.79
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300002064741	1	50	0.0	-69.18	406.45	9.69	-59.49
O=C([O-])C(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=CC=C(F)C(F)=C1	REAL300002064742	0	50	0.0	-56.58	390.13	10.07	-46.51
O=C([O-])C(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=CC=C(F)C(F)=C1	REAL300002064742	1	50	0.0	-61.91	390.57	9.95	-51.96
C[N@@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064748	0	43	0.0	-65.46	348.64	8.50	-56.96
C[N@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064748	1	43	0.0	-61.85	346.97	8.17	-53.68
O=C([O-])C(NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC=C(F)C(F)=C1	REAL300002064759	0	44	0.0	-54.43	353.10	9.07	-45.36
O=C([O-])C(NC(=O)C1CCC2CCCC[N@H+]21)C1=CC=C(F)C(F)=C1	REAL300002064759	1	44	0.0	-54.11	345.77	8.64	-45.47
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064778	0	39	0.0	-53.76	321.17	7.51	-46.25
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300002064780	0	46	0.0	-62.78	360.52	8.68	-54.10
O=C([O-])C(NC(=O)C12CC[NH+](CC1)C2)C1=CC=C(F)C(F)=C1	REAL300002064846	0	38	0.0	-67.54	316.89	6.59	-60.95
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[NH+](C)C	REAL300002064849	0	39	0.0	-55.10	315.79	7.09	-48.01
O=C([O-])C(NC(=O)C12CC[N@H+](C1)CCC2)C1=CC=C(F)C(F)=C1	REAL300002064856	0	41	0.0	-67.21	327.09	7.27	-59.94
O=C([O-])C(NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC=C(F)C(F)=C1	REAL300002064856	1	41	0.0	-65.88	327.03	7.31	-58.57
CC1CCC(C)[NH+]1CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064895	0	43	0.0	-51.50	342.30	7.97	-43.53
C[NH+](C)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300002064896	0	43	0.0	-70.20	363.42	9.57	-60.63
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(F)C(F)=C1	REAL300002064897	0	50	0.0	-62.68	406.20	11.34	-51.34
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(F)C(F)=C1	REAL300002064897	1	50	0.0	-58.97	400.07	11.47	-47.50
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300002064951	0	42	0.0	-66.71	353.94	8.94	-57.77
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300002064953	0	48	0.0	-68.54	382.71	6.59	-61.95
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300002064953	1	48	0.0	-59.95	383.67	6.81	-53.14
CC(C)[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064954	0	39	0.0	-51.64	319.08	7.34	-44.30
CC(C)[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064954	1	39	0.0	-52.54	319.73	7.28	-45.26
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002064959	1	44	0.0	-55.99	370.75	9.24	-46.75
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CC1	REAL300002064966	0	40	0.0	-53.07	331.62	8.07	-45.00
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CC1	REAL300002064966	1	40	0.0	-53.08	326.46	8.07	-45.01
CC(C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)[NH+]1CCCCCC1	REAL300002064993	0	46	0.0	-52.66	349.16	8.82	-43.84
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CC=C1N2	REAL300002065030	1	48	0.0	-78.40	398.21	10.01	-68.39
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CC=C1N2	REAL300002065030	1	48	0.0	-78.22	398.44	10.00	-68.22
CC(C)(C)[NH2+]CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002065066	0	39	0.0	-53.58	324.26	5.81	-47.77
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)O1	REAL300002065068	0	46	0.0	-69.81	385.17	9.27	-60.54
O=C([O-])C(NC(=O)CCCC[NH+]1CCCC1)C1=CC=C(F)C(F)=C1	REAL300002065069	0	46	0.0	-66.51	376.59	9.40	-57.11
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)CC2)[NH+]=C1	REAL300002065071	1	49	0.0	-64.68	399.30	9.15	-55.53
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)CC1=CC=CC=C1	REAL300002065072	1	43	0.0	-57.75	361.73	9.75	-48.00
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1)CC1=CC=CC=C1	REAL300002065072	1	43	0.0	-58.46	361.98	9.67	-48.79
O=C([O-])C(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=CC=C(F)C(F)=C1	REAL300002065097	1	38	0.0	-73.58	344.56	7.52	-66.06
C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=NO1	REAL300002065119	1	39	0.0	-75.57	344.19	7.19	-68.38
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002065123	0	50	0.0	-69.16	409.76	11.13	-58.03
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002065123	1	50	0.0	-63.72	406.73	11.17	-52.55
CC(C)[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002065136	0	43	0.0	-58.07	337.53	8.41	-49.66
CC(C)[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300002065136	1	43	0.0	-56.58	336.02	8.74	-47.84
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300002065154	0	44	0.0	-71.61	364.62	8.22	-63.39
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=CC=C(F)C(F)=C1	REAL300002065159	0	47	0.0	-71.73	391.46	9.77	-61.96
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002065307	0	46	0.0	-55.24	362.81	9.31	-45.93
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002065307	1	46	0.0	-55.28	362.75	9.30	-45.98
O=C([O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C1=CC=C(F)C(F)=C1	REAL300002065332	1	44	0.0	-55.94	359.10	5.27	-50.67
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002065508	0	46	0.0	-62.00	364.19	8.88	-53.12
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002065508	1	46	0.0	-60.49	363.96	8.95	-51.54
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C(F)(F)F)C1	REAL300002065509	0	40	0.0	-69.53	348.41	7.98	-61.55
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C(F)(F)F)C1	REAL300002065509	1	40	0.0	-58.33	342.04	7.65	-50.68
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)N1	REAL300002065533	1	41	0.0	-55.76	354.90	7.41	-48.35
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300002065924	0	46	0.0	-72.45	385.31	10.47	-61.98
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300002065931	0	47	0.0	-75.93	392.61	9.43	-66.50
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002066046	0	40	0.0	-61.58	334.82	7.80	-53.78
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300002066050	0	46	0.0	-50.67	354.83	8.78	-41.89
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CN12	REAL300002066054	0	38	0.0	-60.92	336.66	9.44	-51.48
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002066104	0	49	0.0	-62.05	386.23	9.85	-52.20
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002066104	1	49	0.0	-54.26	377.49	9.97	-44.29
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002066105	0	43	0.0	-63.20	347.57	8.36	-54.84
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002066105	1	43	0.0	-61.20	347.30	8.43	-52.77
C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002066109	0	40	0.0	-50.51	321.57	7.92	-42.59
C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300002066109	1	40	0.0	-63.42	329.62	7.77	-55.65
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)O1	REAL300002066111	1	40	0.0	-72.85	348.56	7.87	-64.98
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=C(F)C(F)=C1	REAL300002066119	1	42	0.0	-59.39	335.94	8.46	-50.93
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=C(F)C(F)=C1	REAL300002066119	1	42	0.0	-57.16	349.33	8.79	-48.37
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=C(Cl)C(F)=C1	REAL300002067878	0	44	0.0	-65.02	364.61	9.39	-55.63
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CC=C(Cl)C(F)=C3)CN12	REAL300002067902	1	42	0.0	-58.45	362.59	9.34	-49.11
CC(C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)N1CC[NH+](C)CC1	REAL300002067963	1	45	0.0	-65.37	368.21	6.44	-58.93
C[N@@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002067993	1	40	0.0	-52.27	337.17	8.13	-44.14
C[N@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002067993	1	40	0.0	-59.48	327.79	7.96	-51.52
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300002068052	0	40	0.0	-66.34	339.74	8.19	-58.15
O=C([O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=C(Cl)C(F)=C1	REAL300002068079	0	35	0.0	-64.58	324.71	10.10	-54.48
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CCCCC1	REAL300002068105	0	49	0.0	-49.00	380.45	9.89	-39.11
C[N@H+](CCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CCCCC1	REAL300002068109	0	49	0.0	-61.57	393.57	10.10	-51.47
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CCCCC1	REAL300002068109	1	49	0.0	-60.92	393.37	10.19	-50.73
C[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068121	0	37	0.0	-51.50	320.63	7.55	-43.95
C[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068121	1	37	0.0	-52.23	321.64	7.53	-44.70
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300002068165	0	40	0.0	-66.34	339.74	8.19	-58.15
O=C([O-])C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=C(Cl)C(F)=C1	REAL300002068168	0	43	0.0	-74.09	384.31	9.18	-64.91
O=C([O-])C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=CC=C(Cl)C(F)=C1	REAL300002068178	0	51	0.0	-49.82	397.61	8.66	-41.16
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068208	1	41	0.0	-61.22	366.13	9.43	-51.79
O=C([O-])C(NC(=O)CCCC[NH+]1CCOCC1)C1=CC=C(Cl)C(F)=C1	REAL300002068209	1	47	0.0	-68.63	393.22	8.19	-60.44
C[C@@H](C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[NH+](C)C	REAL300002068213	0	36	0.0	-55.45	312.45	6.99	-48.46
C[N@@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068214	0	37	0.0	-59.65	315.20	7.08	-52.57
C[N@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068214	1	37	0.0	-57.02	321.49	7.60	-49.42
C[C@H](C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[NH+](C)C	REAL300002068216	0	36	0.0	-55.67	313.13	7.01	-48.66
O=C([O-])C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(Cl)C(F)=C1	REAL300002068247	0	47	0.0	-64.13	398.52	11.00	-53.13
O=C([O-])C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(Cl)C(F)=C1	REAL300002068247	1	47	0.0	-64.14	398.14	10.98	-53.16
O=C([O-])C(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=CC=C(Cl)C(F)=C1	REAL300002068267	0	51	0.0	-62.83	392.51	8.43	-54.40
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[NH+](CC)CC	REAL300002068271	0	45	0.0	-48.11	361.22	8.97	-39.14
CC(C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002068273	0	46	0.0	-53.79	390.29	10.53	-43.26
CC(C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002068273	1	46	0.0	-55.81	389.43	10.59	-45.22
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=N1	REAL300002068292	0	42	0.0	-73.43	369.15	8.53	-64.90
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068295	0	51	0.0	-63.20	413.04	10.52	-52.68
C[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002068297	1	38	0.0	-65.15	325.16	6.89	-58.26
C[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002068297	1	38	0.0	-64.99	325.24	6.88	-58.11
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068304	1	41	0.0	-52.13	360.21	9.32	-42.81
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=CC=C(Cl)C(F)=C1	REAL300002068316	0	47	0.0	-75.71	398.11	11.18	-64.53
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300002068322	0	40	0.0	-54.47	347.38	8.27	-46.20
C[NH+](C)CCCCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068327	0	42	0.0	-67.75	360.32	8.74	-59.01
CC1=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002068344	1	41	0.0	-75.00	370.92	8.42	-66.58
O=C([O-])C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=CC=C(Cl)C(F)=C1	REAL300002068354	1	43	0.0	-73.89	378.61	8.63	-65.26
C[NH+](C)CCC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300002068355	0	46	0.0	-79.35	395.80	10.86	-68.49
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068360	1	39	0.0	-53.45	344.46	7.61	-45.84
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068367	0	39	0.0	-53.98	333.79	8.00	-45.98
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068367	1	39	0.0	-54.19	334.19	8.01	-46.18
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CCC1	REAL300002068381	0	40	0.0	-52.16	341.37	8.51	-43.65
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CCC1	REAL300002068381	1	40	0.0	-53.14	341.28	8.51	-44.63
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)CC(C)(C)C	REAL300002068404	0	45	0.0	-53.30	362.38	8.99	-44.31
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)CC(C)(C)C	REAL300002068404	1	45	0.0	-53.76	365.34	9.11	-44.65
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068406	0	46	0.0	-56.82	393.69	11.02	-45.80
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068406	1	46	0.0	-57.87	394.29	10.97	-46.90
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068407	0	50	0.0	-60.23	423.09	7.23	-53.00
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068407	1	50	0.0	-61.29	423.09	7.22	-54.07
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[NH+](C)C	REAL300002068410	0	39	0.0	-54.31	325.58	7.56	-46.75
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002068412	0	44	0.0	-64.42	362.60	6.95	-57.47
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002068412	1	44	0.0	-52.99	364.85	6.93	-46.06
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068424	0	48	0.0	-54.88	398.27	10.34	-44.54
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068424	1	48	0.0	-54.95	398.28	10.34	-44.61
O=C([O-])C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC=C(Cl)C(F)=C1	REAL300002068439	1	35	0.0	-70.82	324.99	10.10	-60.72
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CCSC1	REAL300002068447	0	41	0.0	-60.18	354.68	8.77	-51.41
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CCSC1	REAL300002068447	1	41	0.0	-58.24	354.44	8.78	-49.46
CC(C)[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300002068461	0	51	0.0	-63.92	409.90	7.75	-56.17
CC(C)N1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300002068461	1	51	0.0	-60.74	407.32	7.53	-53.21
CC(C)[NH+]1CCN(CCCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300002068462	0	54	0.0	-64.86	432.05	8.50	-56.36
CC(C)N1CC[NH+](CCCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300002068462	1	54	0.0	-63.47	427.71	8.34	-55.13
O=C([O-])C(NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC=C(Cl)C(F)=C1	REAL300002068463	0	44	0.0	-51.35	359.38	9.46	-41.89
O=C([O-])C(NC(=O)C1CCCC2CCC[N@H+]21)C1=CC=C(Cl)C(F)=C1	REAL300002068463	1	44	0.0	-49.86	359.55	9.38	-40.48
C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=N1	REAL300002068465	0	43	0.0	-75.94	379.24	8.10	-67.84
CC(C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002068474	1	47	0.0	-57.26	390.20	11.10	-46.16
CC(C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002068474	1	47	0.0	-56.59	389.59	11.14	-45.45
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=N1	REAL300002068499	0	43	0.0	-80.58	379.65	8.12	-72.46
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068500	0	43	0.0	-55.47	375.84	7.98	-47.49
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC[N@@H+]1C	REAL300002068502	0	40	0.0	-64.73	332.66	7.74	-56.99
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC[N@H+]1C	REAL300002068502	1	40	0.0	-64.71	336.23	7.73	-56.98
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068503	1	44	0.0	-55.93	380.91	9.81	-46.12
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC[N@@H+]1C	REAL300002068506	0	43	0.0	-61.08	351.97	8.28	-52.80
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC[N@H+]1C	REAL300002068506	1	43	0.0	-65.90	357.07	8.56	-57.34
CC1C[N@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)O1	REAL300002068513	1	41	0.0	-70.77	346.38	7.74	-63.03
CC1C[N@@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)O1	REAL300002068513	1	41	0.0	-70.87	346.84	7.76	-63.11
O=C([O-])C(NC(=O)C[NH+]1CCCC1)C1=CC=C(Cl)C(F)=C1	REAL300002068519	0	37	0.0	-54.17	320.63	7.67	-46.50
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068521	1	35	0.0	-53.15	324.58	8.14	-45.01
CC(C[NH+]1CCOCC1)C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068523	0	44	0.0	-61.32	366.44	7.26	-54.06
CC1CC[NH+](CC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300002068542	0	43	0.0	-54.56	357.77	9.03	-45.53
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002068553	1	41	0.0	-68.59	350.10	7.71	-60.88
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002068553	1	41	0.0	-49.26	343.27	7.45	-41.81
O=C([O-])C(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=CC=C(Cl)C(F)=C1	REAL300002068582	0	50	0.0	-56.29	400.02	10.50	-45.79
O=C([O-])C(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=CC=C(Cl)C(F)=C1	REAL300002068582	1	50	0.0	-61.75	400.46	10.40	-51.35
C[N@@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068588	0	43	0.0	-65.04	358.53	8.94	-56.10
C[N@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068588	1	43	0.0	-62.25	357.10	8.54	-53.71
O=C([O-])C(NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC=C(Cl)C(F)=C1	REAL300002068599	0	44	0.0	-53.94	362.99	9.52	-44.42
O=C([O-])C(NC(=O)C1CCC2CCCC[N@H+]21)C1=CC=C(Cl)C(F)=C1	REAL300002068599	1	44	0.0	-53.80	355.66	9.09	-44.71
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068618	0	39	0.0	-53.02	326.78	7.61	-45.41
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300002068620	0	46	0.0	-61.90	369.80	9.18	-52.72
O=C([O-])C(NC(=O)C12CC[NH+](CC1)C2)C1=CC=C(Cl)C(F)=C1	REAL300002068686	0	38	0.0	-66.71	326.18	7.08	-59.63
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[NH+](C)C	REAL300002068689	0	39	0.0	-55.29	325.92	7.47	-47.82
O=C([O-])C(NC(=O)C12CC[N@H+](C1)CCC2)C1=CC=C(Cl)C(F)=C1	REAL300002068696	0	41	0.0	-66.54	336.74	7.80	-58.74
O=C([O-])C(NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC=C(Cl)C(F)=C1	REAL300002068696	1	41	0.0	-65.20	336.68	7.83	-57.37
CC1CCC(C)[NH+]1CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068731	0	43	0.0	-51.22	352.19	8.42	-42.80
C[NH+](C)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300002068732	0	43	0.0	-69.54	372.71	10.07	-59.47
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300002068775	0	42	0.0	-66.57	363.83	9.39	-57.18
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300002068777	0	48	0.0	-68.45	392.60	7.04	-61.41
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300002068777	1	48	0.0	-59.75	393.56	7.25	-52.50
CC(C)[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068778	0	39	0.0	-51.26	328.97	7.78	-43.48
CC(C)[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068778	1	39	0.0	-52.24	329.62	7.72	-44.52
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068782	1	44	0.0	-55.33	380.40	9.76	-45.57
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CC1	REAL300002068789	0	40	0.0	-52.76	341.51	8.52	-44.24
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)C1CC1	REAL300002068789	1	40	0.0	-52.77	336.36	8.51	-44.26
CC(C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)[NH+]1CCCCCC1	REAL300002068811	0	46	0.0	-52.30	359.05	9.27	-43.03
C[N@@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068814	0	37	0.0	-54.20	320.85	7.50	-46.70
C[N@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068814	1	37	0.0	-59.62	315.14	7.09	-52.53
CC(C)(C)[NH2+]CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068875	0	39	0.0	-52.52	333.91	6.31	-46.21
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)O1	REAL300002068877	0	46	0.0	-69.93	395.40	9.71	-60.22
O=C([O-])C(NC(=O)CCCC[NH+]1CCCC1)C1=CC=C(Cl)C(F)=C1	REAL300002068878	0	46	0.0	-65.76	385.89	9.89	-55.87
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)CC1=CC=CC=C1	REAL300002068880	1	43	0.0	-57.38	371.62	10.20	-47.18
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1)CC1=CC=CC=C1	REAL300002068880	1	43	0.0	-58.07	371.87	10.12	-47.95
O=C([O-])C(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=CC=C(Cl)C(F)=C1	REAL300002068904	1	38	0.0	-72.91	353.86	8.02	-64.89
C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=NO1	REAL300002068923	1	39	0.0	-75.94	354.32	7.57	-68.37
CC(C)[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068936	0	43	0.0	-57.83	347.66	8.78	-49.05
CC(C)[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=C(Cl)C(F)=C1	REAL300002068936	1	43	0.0	-56.40	345.91	9.19	-47.21
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300002068951	0	44	0.0	-72.16	375.11	8.62	-63.54
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=CC=C(Cl)C(F)=C1	REAL300002068955	0	47	0.0	-71.34	401.11	10.29	-61.05
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002069086	0	46	0.0	-54.95	372.70	9.76	-45.19
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002069086	1	46	0.0	-54.50	372.04	9.81	-44.69
O=C([O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C1=CC=C(Cl)C(F)=C1	REAL300002069108	1	44	0.0	-55.62	368.99	5.71	-49.91
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002069265	0	46	0.0	-61.33	373.84	9.39	-51.94
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002069265	1	46	0.0	-60.14	373.85	9.39	-50.75
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C(C(F)(F)F)C1	REAL300002069266	0	40	0.0	-69.20	358.54	8.35	-60.85
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C(C(F)(F)F)C1	REAL300002069266	1	40	0.0	-59.15	352.53	8.04	-51.11
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)N1	REAL300002069287	1	41	0.0	-55.55	364.79	7.86	-47.69
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)=C1	REAL300002069637	0	46	0.0	-72.50	395.20	10.92	-61.58
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C=C1	REAL300002069643	0	47	0.0	-75.96	402.50	9.87	-66.09
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002069754	0	40	0.0	-61.44	344.71	8.25	-53.19
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)CC1	REAL300002069758	0	46	0.0	-52.61	367.44	9.23	-43.38
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3=CC=C(Cl)C(F)=C3)=CN12	REAL300002069762	0	38	0.0	-60.82	346.55	9.89	-50.93
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002069810	0	49	0.0	-63.25	396.32	10.32	-52.93
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002069810	1	49	0.0	-54.66	390.12	10.45	-44.21
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002069811	0	43	0.0	-62.92	357.46	8.81	-54.11
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002069811	1	43	0.0	-60.86	357.19	8.88	-51.98
C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002069816	0	40	0.0	-51.93	333.49	8.36	-43.57
C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)C1	REAL300002069816	1	40	0.0	-63.03	339.51	8.22	-54.81
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(Cl)C(F)=C2)O1	REAL300002069818	1	40	0.0	-73.17	358.69	8.25	-64.92
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=C(Cl)C(F)=C1	REAL300002069826	1	42	0.0	-58.78	345.59	8.98	-49.80
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=C(Cl)C(F)=C1	REAL300002069826	1	42	0.0	-56.49	358.98	9.32	-47.17
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300002069910	0	44	0.0	-47.04	351.81	8.35	-38.69
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300002069910	1	44	0.0	-49.32	352.60	8.82	-40.50
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2CC2=CC=C(F)C=C2)C1	REAL300002070031	0	53	0.0	-49.82	394.04	11.77	-38.05
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2CC2=CC=C(F)C=C2)C1	REAL300002070031	1	53	0.0	-48.62	387.46	11.74	-36.88
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2Cl)C2CCCC2)C1	REAL300002070136	0	53	0.0	-47.11	385.47	12.05	-35.06
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2Cl)C2CCCC2)C1	REAL300002070136	1	53	0.0	-45.00	387.19	11.92	-33.08
CC1CC2=CC=CC=C2N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002070212	0	47	0.0	-48.75	348.10	10.53	-38.22
CC1CC2=CC=CC=C2N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002070212	1	47	0.0	-49.47	348.79	10.55	-38.92
CCOC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300002070320	0	50	0.0	-48.11	381.93	8.37	-39.74
CCOC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300002070320	1	50	0.0	-49.52	388.14	8.39	-41.13
COCCSC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002070443	0	54	0.0	-49.56	428.86	9.20	-40.36
COCCSC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002070443	1	54	0.0	-49.56	423.39	9.23	-40.33
COC1=CC=C(C(C)(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300002070565	0	57	0.0	-53.77	425.21	8.44	-45.33
COC1=CC=C(C(C)(C)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300002070565	1	57	0.0	-50.80	416.98	7.99	-42.81
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2SC2=CC=CC=C2)C1	REAL300002070686	0	51	0.0	-48.24	412.54	11.30	-36.94
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2SC2=CC=CC=C2)C1	REAL300002070686	1	51	0.0	-48.07	408.57	11.37	-36.70
CC1=CC=C(OC2=CC=CC=C2CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002070805	0	54	0.0	-48.35	418.67	10.85	-37.50
CC1=CC=C(OC2=CC=CC=C2CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002070805	1	54	0.0	-48.05	424.88	10.87	-37.18
CC1=CC=CC(OC2=CC=CC=C2CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002070924	0	54	0.0	-48.46	419.53	10.92	-37.54
CC1=CC=CC(OC2=CC=CC=C2CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002070924	1	54	0.0	-47.84	425.79	10.95	-36.89
COCCN(CC1=CC=C(F)C=C1Cl)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002071031	0	50	0.0	-43.39	397.27	9.97	-33.42
COCCN(CC1=CC=C(F)C=C1Cl)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002071031	1	50	0.0	-45.46	389.38	10.31	-35.15
CC1=CC=C(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300002071124	0	43	0.0	-49.01	347.58	10.08	-38.93
CC1=CC=C(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300002071124	1	43	0.0	-50.24	348.76	10.12	-40.12
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(Cl)C=CC=C3C2)C1	REAL300002071290	0	44	0.0	-50.99	347.09	10.09	-40.90
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(Cl)C=CC=C3C2)C1	REAL300002071290	1	44	0.0	-49.81	347.16	10.08	-39.73
COC1=CC(Cl)=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002071414	0	44	0.0	-47.87	355.68	7.25	-40.62
COC1=CC(Cl)=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002071414	1	44	0.0	-48.65	361.87	7.27	-41.38
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(Br)C=C2F)C1	REAL300002071536	0	43	0.0	-51.30	365.08	8.85	-42.45
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(Br)C=C2F)C1	REAL300002071536	1	43	0.0	-52.19	358.87	8.83	-43.36
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC3=CC=CC=C32)C1	REAL300002071647	0	46	0.0	-48.82	359.54	9.52	-39.30
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC3=CC=CC=C32)C1	REAL300002071647	1	46	0.0	-47.21	353.35	9.50	-37.71
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC2=CC=CC(F)=C2)C1	REAL300002071756	0	46	0.0	-50.66	366.11	9.04	-41.62
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC2=CC=CC(F)=C2)C1	REAL300002071756	1	46	0.0	-50.25	365.47	9.02	-41.23
CC1=CC(Br)=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002071876	0	43	0.0	-47.26	349.11	8.52	-38.74
CC1=CC(Br)=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002071876	1	43	0.0	-49.69	355.29	8.54	-41.15
CS(=O)(=O)CC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002072001	0	46	0.0	-59.54	361.72	4.15	-55.39
CS(=O)(=O)CC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002072001	1	46	0.0	-60.15	365.90	4.30	-55.85
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2CCC(F)(F)F)C1	REAL300002072118	0	46	0.0	-49.96	362.84	10.16	-39.80
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2CCC(F)(F)F)C1	REAL300002072118	1	46	0.0	-48.61	362.02	9.71	-38.90
CCCOC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300002072236	0	56	0.0	-45.09	398.77	8.55	-36.54
CCCOC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300002072236	1	56	0.0	-46.68	404.89	8.57	-38.11
CC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300002072361	0	48	0.0	-57.31	380.47	9.56	-47.75
CC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300002072361	1	48	0.0	-58.14	378.94	9.47	-48.67
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2CCC2)CC(F)(F)F)C1	REAL300002072478	1	46	0.0	-44.46	348.76	9.72	-34.74
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2CCC2)CC(F)(F)F)C1	REAL300002072478	1	46	0.0	-45.30	349.91	9.32	-35.98
CCOC1CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1(CC)CC	REAL300002072592	0	56	0.0	-46.77	405.40	8.58	-38.19
CCOC1CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1(CC)CC	REAL300002072592	1	56	0.0	-49.87	402.57	8.33	-41.54
CC1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC(Cl)=C21	REAL300002072713	0	47	0.0	-46.82	355.77	10.53	-36.29
CC1(C)CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC(Cl)=C21	REAL300002072713	1	47	0.0	-42.81	354.61	10.08	-32.73
CCC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC(C)=C1	REAL300002072841	0	53	0.0	-48.00	394.97	8.85	-39.15
CCC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC(C)=C1	REAL300002072841	1	53	0.0	-45.92	393.43	8.40	-37.52
CCC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC=C1C	REAL300002072970	0	53	0.0	-47.96	393.25	8.91	-39.05
CCC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC=C1C	REAL300002072970	1	53	0.0	-48.24	399.60	9.03	-39.21
CCOC1CC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1(CC)CC	REAL300002073088	0	59	0.0	-46.17	404.30	10.28	-35.89
CCOC1CC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1(CC)CC	REAL300002073088	1	59	0.0	-47.22	411.18	10.13	-37.09
COCCC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC1	REAL300002073221	0	50	0.0	-46.66	367.51	6.71	-39.95
COCCC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC1	REAL300002073221	1	50	0.0	-48.30	373.52	6.74	-41.56
O=C([O-])C1CCC[N@H+](CC(=O)N(CCC(F)(F)F)CC2CC2)C1	REAL300002073329	0	46	0.0	-47.07	359.39	10.10	-36.97
O=C([O-])C1CCC[N@@H+](CC(=O)N(CCC(F)(F)F)CC2CC2)C1	REAL300002073329	1	46	0.0	-48.86	367.19	10.16	-38.70
O=C([O-])C1CCC[N@H+](CC(=O)N(CCC2=CC=CC=C2)C2CCOC2)C1	REAL300002073446	0	54	0.0	-50.34	403.46	10.20	-40.14
O=C([O-])C1CCC[N@@H+](CC(=O)N(CCC2=CC=CC=C2)C2CCOC2)C1	REAL300002073446	1	54	0.0	-49.90	405.47	10.65	-39.25
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCCC2C=CC2=CC=CC=C2)C1	REAL300002073644	0	57	0.0	-47.22	416.83	13.35	-33.87
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCCC2C=CC2=CC=CC=C2)C1	REAL300002073644	1	57	0.0	-47.71	408.74	13.00	-34.71
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002073802	0	47	0.0	-49.61	375.05	11.07	-38.54
CC1C2=CC(Cl)=CC(Cl)=C2CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002073802	1	47	0.0	-46.06	375.28	10.85	-35.21
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=CC=C2OC(F)(F)F)C1	REAL300002073914	0	47	0.0	-47.23	374.91	7.58	-39.65
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=CC=C2OC(F)(F)F)C1	REAL300002073914	1	47	0.0	-49.51	376.81	8.02	-41.49
CN(CCOCC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002074088	0	50	0.0	-47.21	387.90	10.00	-37.21
CN(CCOCC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002074088	1	50	0.0	-47.11	389.23	9.61	-37.50
O=C([O-])C1CCC[N@H+](CC(=O)N(CCC2=CC=CC(F)=C2)C2CCCC2)C1	REAL300002074201	0	56	0.0	-50.85	406.81	12.67	-38.18
O=C([O-])C1CCC[N@@H+](CC(=O)N(CCC2=CC=CC(F)=C2)C2CCCC2)C1	REAL300002074201	1	56	0.0	-50.96	414.87	12.99	-37.97
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(CC3=CC=CC=C3)CCC2)C1	REAL300002074315	0	53	0.0	-49.63	396.91	10.44	-39.19
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(CC3=CC=CC=C3)CCC2)C1	REAL300002074315	1	53	0.0	-50.00	392.82	10.53	-39.47
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3CCCCC32C2=CC=CC=C2)C1	REAL300002074485	0	54	0.0	-42.93	390.67	11.52	-31.41
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3CCCCC32C2=CC=CC=C2)C1	REAL300002074485	1	54	0.0	-45.53	397.98	11.98	-33.55
CC(C)COC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002074569	0	50	0.0	-49.15	371.42	8.23	-40.92
CC(C)COC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002074569	1	50	0.0	-48.62	377.26	8.24	-40.38
CN(CC1=CC=CC(OC(F)(F)F)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002074679	0	47	0.0	-48.85	379.26	9.28	-39.57
CN(CC1=CC=CC(OC(F)(F)F)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002074679	1	47	0.0	-49.18	380.41	9.31	-39.87
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCCC2OCCC21	REAL300002074769	0	48	0.0	-48.88	347.66	6.37	-42.51
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCCC2OCCC21	REAL300002074769	1	48	0.0	-48.35	346.98	6.97	-41.38
CC(C)CCC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002074869	0	55	0.0	-45.90	394.16	10.84	-35.06
CC(C)CCC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002074869	1	55	0.0	-42.69	386.68	10.37	-32.32
COC1=CC=C(Br)C=C1CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002074973	0	47	0.0	-46.52	372.78	9.62	-36.90
COC1=CC=C(Br)C=C1CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002074973	1	47	0.0	-47.32	377.70	10.62	-36.70
CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002075083	0	48	0.0	-49.89	365.44	3.65	-46.24
CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002075083	1	48	0.0	-52.37	372.38	3.99	-48.38
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1C2CCOC2C12CCC2	REAL300002075202	0	49	0.0	-49.37	357.22	7.10	-42.27
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1C2CCOC2C12CCC2	REAL300002075202	1	49	0.0	-49.81	363.07	7.08	-42.73
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC=CC=C3C2CC2=CC=CC=C2)C1	REAL300002075303	0	57	0.0	-50.89	416.88	13.25	-37.64
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=CC=C3C2CC2=CC=CC=C2)C1	REAL300002075303	1	57	0.0	-51.99	424.06	14.27	-37.72
CC(CC1=C(Cl)C=CC=C1Cl)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002075428	0	46	0.0	-44.69	378.69	10.16	-34.53
CC(CC1=C(Cl)C=CC=C1Cl)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002075428	1	46	0.0	-44.99	373.21	10.19	-34.80
CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(=O)OC(C)(C)C	REAL300002075544	0	57	0.0	-47.19	416.51	9.47	-37.72
CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(=O)OC(C)(C)C	REAL300002075544	1	57	0.0	-47.47	418.04	9.52	-37.95
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=C(F)C=C3)C2)C1	REAL300002075662	0	47	0.0	-50.48	363.81	10.29	-40.19
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=C(F)C=C3)C2)C1	REAL300002075662	1	47	0.0	-49.62	363.93	10.27	-39.35
CC1=CC(C)=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300002075833	0	52	0.0	-49.93	392.06	9.85	-40.08
CC1=CC(C)=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300002075833	1	52	0.0	-50.58	392.71	9.87	-40.71
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=C(F)C=CC=C2Cl)C1	REAL300002075957	0	43	0.0	-45.83	349.45	8.18	-37.65
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=C(F)C=CC=C2Cl)C1	REAL300002075957	1	43	0.0	-48.67	351.36	8.63	-40.04
C#CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002076041	0	45	0.0	-47.55	347.70	9.40	-38.15
C#CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002076041	1	45	0.0	-47.88	353.36	9.38	-38.50
CC1(C2=CC=CC=C2)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300002076202	0	51	0.0	-49.41	377.72	9.55	-39.86
CC1(C2=CC=CC=C2)CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300002076202	1	51	0.0	-50.13	377.58	9.55	-40.58
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300002076302	0	45	0.0	-52.30	333.95	8.74	-43.56
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300002076302	1	45	0.0	-52.00	340.61	8.87	-43.13
CC(C)C1=CC=CC=C1OCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002076413	0	53	0.0	-48.29	404.57	9.03	-39.26
CC(C)C1=CC=CC=C1OCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002076413	1	53	0.0	-48.57	405.21	9.05	-39.52
CC1=CC=CC=C1COC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002076540	0	54	0.0	-52.76	417.39	11.26	-41.50
CC1=CC=CC=C1COC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002076540	1	54	0.0	-55.30	412.19	11.27	-44.03
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC=CC=C3CC2)C1	REAL300002076633	0	47	0.0	-49.28	340.50	10.59	-38.69
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=CC=C3CC2)C1	REAL300002076633	1	47	0.0	-48.76	346.69	10.44	-38.32
CC(C)(C)OC(=O)CC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002076736	0	55	0.0	-48.24	411.70	10.51	-37.73
CC(C)(C)OC(=O)CC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002076736	1	55	0.0	-49.52	413.44	11.01	-38.51
CCOCC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002076835	0	50	0.0	-47.71	369.36	8.16	-39.55
CCOCC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002076835	1	50	0.0	-44.53	362.68	7.70	-36.83
CC(C)(C)C1=CC=CC(OCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002076947	0	56	0.0	-48.32	422.90	9.35	-38.97
CC(C)(C)C1=CC=CC(OCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002076947	1	56	0.0	-48.51	422.79	9.36	-39.15
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC3=CC=CC=C3N2)C1	REAL300002077071	0	47	0.0	-50.22	361.98	7.64	-42.58
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC3=CC=CC=C3N2)C1	REAL300002077071	1	47	0.0	-53.94	363.89	8.09	-45.85
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CS1	REAL300002077150	0	43	0.0	-45.99	336.76	7.81	-38.18
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CS1	REAL300002077150	1	43	0.0	-43.76	330.57	7.96	-35.80
CCC1C2=CC=CC=C2CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002077242	0	50	0.0	-48.67	351.72	10.57	-38.10
CCC1C2=CC=CC=C2CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002077242	1	50	0.0	-48.69	370.68	11.25	-37.44
CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002077459	0	48	0.0	-57.97	367.78	3.51	-54.46
CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002077459	1	48	0.0	-59.04	374.46	3.57	-55.47
O=C([O-])C1CCC[N@H+](CC(=O)NN(CC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300002077579	0	52	0.0	-52.12	397.64	11.77	-40.35
O=C([O-])C1CCC[N@@H+](CC(=O)NN(CC2=CC=CC=C2)C2=CC=CC=C2)C1	REAL300002077579	1	52	0.0	-51.37	405.05	11.89	-39.48
CCOC1=CC2=C(C=C1OCC)CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300002077690	0	58	0.0	-52.70	435.67	10.67	-42.03
CCOC1=CC2=C(C=C1OCC)CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300002077690	1	58	0.0	-53.87	435.56	10.69	-43.18
CS(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002077805	0	45	0.0	-58.05	349.42	4.01	-54.04
CS(=O)(=O)N1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002077805	1	45	0.0	-54.57	341.95	3.55	-51.02
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300002077927	0	50	0.0	-44.84	364.51	10.50	-34.34
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300002077927	1	50	0.0	-48.04	365.66	10.98	-37.06
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3=CC=CC=C3C(C3=CC=CC=C3)C2)C1	REAL300002078048	0	54	0.0	-45.95	401.39	12.51	-33.44
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3=CC=CC=C3C(C3=CC=CC=C3)C2)C1	REAL300002078048	1	54	0.0	-49.71	408.83	12.94	-36.77
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2)C(F)(F)F)C1	REAL300002078269	1	43	0.0	-50.52	342.56	8.58	-41.94
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2)C(F)(F)F)C1	REAL300002078269	1	43	0.0	-50.18	348.08	8.56	-41.62
COC1=C(C)C=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300002078366	0	47	0.0	-50.65	358.59	8.34	-42.31
COC1=C(C)C=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300002078366	1	47	0.0	-50.56	354.44	8.40	-42.16
COC1=CC=C(F)C=C1C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002078476	0	47	0.0	-48.36	361.70	7.74	-40.62
COC1=CC=C(F)C=C1C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002078476	1	47	0.0	-49.15	361.78	7.74	-41.41
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC=C3)CCCCC2)C1	REAL300002078605	0	56	0.0	-46.51	402.68	10.80	-35.71
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC=C3)CCCCC2)C1	REAL300002078605	1	56	0.0	-44.97	396.58	10.78	-34.19
COCCN(CC(C)C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002078679	0	49	0.0	-44.45	361.87	7.85	-36.60
COCCN(CC(C)C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002078679	1	49	0.0	-46.53	354.84	7.88	-38.65
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2)CC2=CC=C(F)C=C2)C1	REAL300002078757	0	53	0.0	-50.09	407.89	13.28	-36.81
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2)CC2=CC=C(F)C=C2)C1	REAL300002078757	1	53	0.0	-46.88	409.74	12.91	-33.97
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(Cl)S2)C1	REAL300002078838	0	37	0.0	-49.22	323.97	7.13	-42.09
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(Cl)S2)C1	REAL300002078838	1	37	0.0	-46.70	317.78	7.11	-39.59
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C3=CC4=CC=CC=C4N3)C2)C1	REAL300002078954	0	54	0.0	-47.85	397.52	10.61	-37.24
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C3=CC4=CC=CC=C4N3)C2)C1	REAL300002078954	1	54	0.0	-51.04	404.52	10.89	-40.15
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=C(F)C=C2)C1	REAL300002079071	0	44	0.0	-50.74	353.01	7.10	-43.64
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=C(F)C=C2)C1	REAL300002079071	1	44	0.0	-49.98	346.81	7.08	-42.90
CN(CC1=CC=CC=C1[N+](=O)[O-])C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002079239	0	45	0.0	-58.70	347.72	10.63	-48.07
CN(CC1=CC=CC=C1[N+](=O)[O-])C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002079239	1	45	0.0	-54.41	347.81	10.59	-43.82
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300002079351	0	46	0.0	-49.13	368.69	9.50	-39.63
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300002079351	1	46	0.0	-48.63	363.12	9.52	-39.11
COC1=CC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1OCC(C)C	REAL300002079454	0	60	0.0	-52.56	455.74	9.85	-42.71
COC1=CC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1OCC(C)C	REAL300002079454	1	60	0.0	-53.27	456.89	9.89	-43.38
CN(CCOC1=CC=C(Br)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002079561	0	47	0.0	-47.54	383.13	9.78	-37.76
CN(CCOC1=CC=C(Br)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002079561	1	47	0.0	-48.56	384.97	9.75	-38.81
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCOC3=CC=CC=C32)C1	REAL300002079650	0	45	0.0	-51.38	341.88	7.26	-44.12
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCOC3=CC=CC=C32)C1	REAL300002079650	1	45	0.0	-50.42	340.45	7.22	-43.20
CC(C)C1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002079768	0	52	0.0	-49.43	392.22	10.10	-39.33
CC(C)C1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002079768	1	52	0.0	-46.09	390.31	9.66	-36.43
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC3=CC=CC=C32)C1	REAL300002079881	0	47	0.0	-42.53	350.05	10.88	-31.65
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC3=CC=CC=C32)C1	REAL300002079881	1	47	0.0	-42.13	343.64	10.84	-31.29
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC(F)=C(Cl)C=C1Cl	REAL300002080033	0	43	0.0	-49.79	363.88	9.33	-40.46
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC(F)=C(Cl)C=C1Cl	REAL300002080033	1	43	0.0	-49.80	363.38	9.28	-40.52
CCCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002080112	0	46	0.0	-49.34	348.93	9.55	-39.79
CCCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002080112	1	46	0.0	-49.76	355.28	9.51	-40.25
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3CCCCC3C2)C1	REAL300002080183	0	50	0.0	-46.60	356.28	9.82	-36.78
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3CCCCC3C2)C1	REAL300002080183	1	50	0.0	-45.92	356.40	9.82	-36.10
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCC2=CC=CC=C21	REAL300002080279	0	50	0.0	-44.44	362.18	11.04	-33.40
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCC2=CC=CC=C21	REAL300002080279	1	50	0.0	-47.42	364.17	11.53	-35.89
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=C3OCOC3=C2)C2CCCC2)C1	REAL300002080379	0	56	0.0	-50.49	403.61	10.35	-40.14
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=C3OCOC3=C2)C2CCCC2)C1	REAL300002080379	1	56	0.0	-46.37	408.73	10.34	-36.03
CCCN(CC1=CC=C(C)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002080477	0	52	0.0	-43.65	384.04	11.17	-32.48
CCCN(CC1=CC=C(C)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002080477	1	52	0.0	-46.84	390.66	11.86	-34.98
O=C([O-])C1CCC[N@H+](CC(=O)NC2C3CC4CC(C3)CC2C4)C1	REAL300002080571	0	51	0.0	-47.37	355.60	9.24	-38.13
O=C([O-])C1CCC[N@@H+](CC(=O)NC2C3CC4CC(C3)CC2C4)C1	REAL300002080571	1	51	0.0	-46.81	355.69	9.23	-37.58
CC1=CC(C(C)(C)C)=CC(C)=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002080683	0	61	0.0	-49.42	446.86	11.51	-37.91
CC1=CC(C(C)(C)C)=CC(C)=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002080683	1	61	0.0	-50.06	447.51	11.52	-38.54
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CO2)CC(F)(F)F)C1	REAL300002080797	1	43	0.0	-48.05	342.95	8.81	-39.24
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CO2)CC(F)(F)F)C1	REAL300002080797	1	43	0.0	-51.30	342.91	8.81	-42.49
CCC1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC(F)=C2)C=C1	REAL300002080893	0	56	0.0	-47.74	433.95	12.53	-35.21
CCC1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC(F)=C2)C=C1	REAL300002080893	1	56	0.0	-50.21	440.91	12.97	-37.24
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2SCC2=CC=CC=C2)C1	REAL300002080982	1	51	0.0	-46.84	404.13	12.37	-34.47
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2SCC2=CC=CC=C2)C1	REAL300002080982	1	51	0.0	-46.46	402.41	11.90	-34.56
CC1=CC=C(CCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300002081092	0	52	0.0	-48.72	395.81	10.09	-38.63
CC1=CC=C(CCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300002081092	1	52	0.0	-49.34	396.49	10.12	-39.22
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C3SCCS3)=C2)C1	REAL300002081219	0	46	0.0	-53.22	371.72	10.29	-42.93
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C3SCCS3)=C2)C1	REAL300002081219	1	46	0.0	-51.90	376.83	10.30	-41.60
CCOC1=CC2=C(C=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC(C)C2	REAL300002081345	0	55	0.0	-48.27	417.77	8.27	-40.00
CCOC1=CC2=C(C=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC(C)C2	REAL300002081345	1	55	0.0	-48.84	423.99	8.29	-40.55
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C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300002086001	1	43	0.0	-72.15	354.15	10.06	-62.09
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300002086001	1	43	0.0	-72.18	354.15	10.06	-62.12
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C[NH+](C)CCC1=CC=C(C(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300002090428	0	46	0.0	-86.15	350.64	9.57	-76.58
CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)(C(=O)[O-])C1CC1	REAL300002090431	1	48	0.0	-80.04	364.19	8.86	-71.18
CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)(C(=O)[O-])C1CC1	REAL300002090431	1	48	0.0	-78.50	364.18	8.87	-69.63
CC(C(=O)NC(C)(C(=O)[O-])C1CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002090439	0	56	0.0	-59.52	408.28	11.66	-47.86
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C)(C(=O)[O-])C1CC1	REAL300002090465	0	46	0.0	-60.10	349.21	9.57	-50.53
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CC(C)[NH+]1CCN(CCCC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300002090497	0	54	0.0	-70.01	386.92	7.19	-62.82
CC(C)N1CC[NH+](CCCC(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300002090497	1	54	0.0	-68.61	383.74	7.02	-61.59
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C)(C(=O)[O-])C3CC3)CC2)=C1	REAL300002090501	0	55	0.0	-68.02	404.28	9.22	-58.80
CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)(C(=O)[O-])C1CC1	REAL300002090502	0	52	0.0	-68.72	382.37	8.51	-60.21
CC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)(C(=O)[O-])C1CC1	REAL300002090505	0	49	0.0	-64.89	359.85	8.77	-56.12
CC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)(C(=O)[O-])C1CC1	REAL300002090505	1	49	0.0	-60.75	359.81	8.67	-52.08
CC(C(=O)NC(C)(C(=O)[O-])C1CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002090509	1	47	0.0	-58.15	345.05	9.69	-48.46
CC(C(=O)NC(C)(C(=O)[O-])C1CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002090509	1	47	0.0	-57.64	345.05	9.71	-47.93
CC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1CC1	REAL300002090525	0	50	0.0	-72.93	375.52	10.38	-62.55
CC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1CC1	REAL300002090525	1	50	0.0	-71.47	374.54	10.39	-61.08
CC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)(C(=O)[O-])C1CC1	REAL300002090542	0	50	0.0	-65.32	371.33	10.60	-54.72
CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)(C(=O)[O-])C1CC1	REAL300002090542	1	50	0.0	-59.65	371.35	10.59	-49.06
CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)(C(=O)[O-])C1CC1	REAL300002090544	0	51	0.0	-67.97	380.63	7.97	-60.00
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C)(C(=O)[O-])C2CC2)CC1	REAL300002090564	1	50	0.0	-78.44	367.57	8.65	-69.79
CC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)(C(=O)[O-])C1CC1	REAL300002090565	0	50	0.0	-64.81	356.00	9.14	-55.67
CC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)(C(=O)[O-])C1CC1	REAL300002090565	1	50	0.0	-62.95	354.72	9.07	-53.88
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C[NH+]1CCN(CC2=CC=C(C(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)CC1	REAL300002090582	0	52	0.0	-81.38	385.90	7.96	-73.42
CN1CC[NH+](CC2=CC=C(C(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)CC1	REAL300002090582	1	52	0.0	-83.39	386.24	8.02	-75.37
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300002090583	0	53	0.0	-81.79	389.33	9.57	-72.22
CC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)(C(=O)[O-])C1CC1	REAL300002090633	0	54	0.0	-86.35	401.39	7.88	-78.47
CC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1CC1	REAL300002090635	0	50	0.0	-59.23	364.89	10.53	-48.70
CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1CC1	REAL300002090635	1	50	0.0	-55.78	362.02	10.44	-45.34
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C)(C(=O)[O-])C3CC3)=CC=C1N2	REAL300002090713	1	48	0.0	-82.03	362.95	9.16	-72.87
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C)(C(=O)[O-])C3CC3)=CC=C1N2	REAL300002090713	1	48	0.0	-82.23	363.16	9.13	-73.10
CC[NH+](CC)CC1=CC=C(C(=O)NC(C)(C(=O)[O-])C2CC2)O1	REAL300002090751	0	46	0.0	-78.05	350.52	8.42	-69.63
CC1=CC=C(N2CCC(C(=O)NC(C)(C(=O)[O-])C3CC3)CC2)[NH+]=C1	REAL300002090753	1	49	0.0	-72.81	364.11	8.29	-64.52
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)CC1	REAL300002090756	0	55	0.0	-84.81	396.17	9.08	-75.73
CC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)(C(=O)[O-])C1CC1	REAL300002090763	1	38	0.0	-78.50	309.37	6.69	-71.81
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(C(=O)[O-])C1CC1	REAL300002090787	0	50	0.0	-65.49	364.95	10.05	-55.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(C(=O)[O-])C1CC1	REAL300002090787	1	50	0.0	-64.35	365.40	9.99	-54.36
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300002090802	0	51	0.0	-85.24	392.55	9.69	-75.55
CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)(C(=O)[O-])C1CC1	REAL300002090814	0	47	0.0	-79.16	355.15	8.83	-70.33
C[N@@H+]1CC(C(=O)NC(C)(C(=O)[O-])C2CC2)C(C(F)(F)F)C1	REAL300002091048	0	40	0.0	-73.00	299.16	6.45	-66.55
C[N@H+]1CC(C(=O)NC(C)(C(=O)[O-])C2CC2)C(C(F)(F)F)C1	REAL300002091048	1	40	0.0	-79.54	298.51	7.52	-72.02
C[NH+](C)CCC1=CC=CC(C(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300002091324	0	46	0.0	-79.18	350.73	9.54	-69.64
C[NH+](C)CCOC1=CC=C(C(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300002091327	0	47	0.0	-83.75	357.94	8.51	-75.24
CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1CC1	REAL300002091385	0	53	0.0	-68.02	389.77	11.08	-56.94
CC1C[N@H+](CC2=CC=C(C(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)CCO1	REAL300002091387	1	51	0.0	-84.56	375.52	8.89	-75.67
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)CCO1	REAL300002091387	1	51	0.0	-86.51	375.64	8.88	-77.63
O=C([O-])CC(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=C(Br)C=C1	REAL300002092136	0	47	0.0	-59.56	389.08	10.68	-48.88
C[NH+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092180	0	36	0.0	-66.69	308.48	6.95	-59.74
CC(C(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1)N1CC[NH+](C)CC1	REAL300002092181	1	48	0.0	-68.79	379.17	6.74	-62.05
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092197	0	43	0.0	-61.69	350.51	8.52	-53.17
C[N@H+]1CCCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092197	1	43	0.0	-55.62	347.10	9.04	-46.58
C[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300002092212	0	43	0.0	-61.37	360.36	9.33	-52.04
O=C([O-])CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=C(Br)C=C1	REAL300002092228	0	38	0.0	-70.38	338.62	10.44	-59.94
C[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092250	0	40	0.0	-64.66	328.00	7.48	-57.18
C[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092250	1	40	0.0	-55.87	335.41	8.24	-47.63
C[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300002092275	0	43	0.0	-61.37	360.36	9.33	-52.04
CC1=[NH+]C=CN1CCCC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092293	1	44	0.0	-67.72	379.50	9.88	-57.84
C[C@@H](C(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1)[NH+](C)C	REAL300002092296	0	39	0.0	-50.33	332.58	8.25	-42.08
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092297	0	40	0.0	-55.14	335.44	8.29	-46.85
C[N@H+]1CCC[C@@H]1C(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092297	1	40	0.0	-61.86	334.04	7.88	-53.98
C[C@H](C(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1)[NH+](C)C	REAL300002092300	0	39	0.0	-64.25	326.88	7.34	-56.91
CCC(C(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1)[NH+](CC)CC	REAL300002092343	0	48	0.0	-57.92	372.20	9.33	-48.59
C[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300002092351	1	41	0.0	-80.51	346.16	7.40	-73.11
C[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300002092351	1	41	0.0	-68.56	339.00	7.21	-61.35
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092357	1	44	0.0	-51.47	381.17	10.36	-41.11
C[NH+](C)CC1(C(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300002092363	0	43	0.0	-46.21	357.13	9.77	-36.44
C[NH+](C)CCCCC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092366	0	45	0.0	-73.35	373.85	9.09	-64.26
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092384	1	42	0.0	-50.09	364.64	8.83	-41.26
CCC[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092386	0	42	0.0	-51.59	354.73	9.07	-42.52
CCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092386	1	42	0.0	-53.07	354.67	9.03	-44.04
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1)C1CCC1	REAL300002092395	0	43	0.0	-48.96	361.60	9.64	-39.32
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1)C1CCC1	REAL300002092395	1	43	0.0	-50.50	361.67	9.61	-40.89
C[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1)CC(C)(C)C	REAL300002092405	0	48	0.0	-52.58	383.15	10.12	-42.46
C[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1)CC(C)(C)C	REAL300002092405	1	48	0.0	-51.55	385.63	10.30	-41.25
CC[C@@H](C(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1)[NH+](C)C	REAL300002092406	0	42	0.0	-53.03	345.64	8.65	-44.38
C[N@@H+]1CCCC(O)(CC(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300002092408	0	47	0.0	-60.35	382.89	8.04	-52.31
C[N@H+]1CCCC(O)(CC(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300002092408	1	47	0.0	-60.81	373.07	7.92	-52.89
CCCCCC[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092418	0	51	0.0	-52.49	419.22	11.41	-41.08
CCCCCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092418	1	51	0.0	-52.57	419.22	11.42	-41.15
O=C([O-])CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC=C(Br)C=C1	REAL300002092426	1	38	0.0	-77.10	338.89	10.45	-66.65
O=C([O-])CC(NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC=C(Br)C=C1	REAL300002092439	0	47	0.0	-62.58	364.60	9.46	-53.12
O=C([O-])CC(NC(=O)C1CCCC2CCC[N@H+]21)C1=CC=C(Br)C=C1	REAL300002092439	1	47	0.0	-58.36	373.41	9.77	-48.59
C[C@@H]1[C@H](C(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)CC[N@@H+]1C	REAL300002092453	0	43	0.0	-70.44	346.02	8.21	-62.23
C[C@@H]1[C@H](C(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)CC[N@H+]1C	REAL300002092453	1	43	0.0	-55.07	355.41	8.90	-46.17
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)CC[N@@H+]1C	REAL300002092455	0	46	0.0	-61.75	372.56	9.28	-52.47
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)CC[N@H+]1C	REAL300002092455	1	46	0.0	-52.92	376.55	9.86	-43.06
CC1C[N@H+](C)CC(C(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)O1	REAL300002092459	1	44	0.0	-61.33	366.95	8.77	-52.56
CC1C[N@@H+](C)CC(C(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)O1	REAL300002092459	1	44	0.0	-81.70	359.42	7.68	-74.02
O=C([O-])CC(NC(=O)C[NH+]1CCCC1)C1=CC=C(Br)C=C1	REAL300002092462	0	40	0.0	-65.07	332.38	7.95	-57.12
CC1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092464	1	38	0.0	-53.40	344.87	9.23	-44.17
CC(C[NH+]1CCOCC1)C(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092465	0	47	0.0	-69.90	379.54	7.64	-62.26
CC1CC[NH+](CC(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300002092482	0	46	0.0	-66.36	371.72	9.44	-56.92
CC[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300002092486	1	44	0.0	-78.65	363.41	8.08	-70.57
CC[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300002092486	1	44	0.0	-57.76	371.00	8.73	-49.03
C[N@@H+]1CCCC1CCC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092498	0	46	0.0	-61.71	378.92	10.10	-51.61
C[N@H+]1CCCC1CCC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092498	1	46	0.0	-68.97	370.30	8.96	-60.01
O=C([O-])CC(NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC=C(Br)C=C1	REAL300002092503	0	47	0.0	-52.71	376.26	10.11	-42.60
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CC[NH+](CC)CC(=O)NC(CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300002092510	0	42	0.0	-63.82	343.70	8.26	-55.56
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CSC1=CC=C(C(CC(=O)[O-])NC(=O)CC2(O)CCC[N@H+](C)C2)C=C1	REAL300002095140	0	51	0.0	-63.18	391.98	8.31	-54.87
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CC1	REAL300002104149	0	44	0.0	-70.09	340.94	9.10	-60.99
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CC1	REAL300002104149	1	44	0.0	-75.91	345.07	9.22	-66.69
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300002104162	0	45	0.0	-89.17	363.24	8.62	-80.55
O=C([O-])C1(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300002104465	0	47	0.0	-74.10	360.44	10.01	-64.09
CC1C[N@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CC3)C=C2)CCO1	REAL300002104466	1	45	0.0	-91.91	352.96	7.87	-84.04
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CC3)C=C2)CCO1	REAL300002104466	1	45	0.0	-90.93	353.00	7.86	-83.07
CC1=C(COC2=CC=CC=C2)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002104570	0	54	0.0	-52.97	413.80	11.43	-41.54
CC1=C(COC2=CC=CC=C2)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002104570	1	54	0.0	-53.50	408.30	11.45	-42.05
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3CCC3)C(F)=C2)C1	REAL300002104761	1	48	0.0	-51.15	368.38	8.97	-42.18
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3CCC3)C(F)=C2)C1	REAL300002104761	1	48	0.0	-53.51	374.41	8.94	-44.57
CCOCCOC1=CC(C)=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002104889	0	57	0.0	-49.17	437.69	8.57	-40.60
CCOCCOC1=CC(C)=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002104889	1	57	0.0	-45.49	435.77	8.12	-37.37
CC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OCCC(C)C)=C1	REAL300002105011	0	59	0.0	-46.92	442.78	10.44	-36.48
CC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OCCC(C)C)=C1	REAL300002105011	1	59	0.0	-43.85	440.85	9.99	-33.86
CC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OCC2CC2)=C1	REAL300002105138	0	54	0.0	-47.07	413.88	9.91	-37.16
CC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OCC2CC2)=C1	REAL300002105138	1	54	0.0	-43.85	411.96	9.47	-34.38
CC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC(C)(C)C)=C1	REAL300002105270	0	56	0.0	-46.75	411.25	9.25	-37.50
CC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC(C)(C)C)=C1	REAL300002105270	1	56	0.0	-46.72	417.45	9.27	-37.45
CCC(C)OC1=CC(C)=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002105401	0	56	0.0	-46.78	420.88	9.78	-37.00
CCC(C)OC1=CC(C)=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002105401	1	56	0.0	-46.91	427.10	9.80	-37.11
CSC1=CC(C)=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002105528	0	47	0.0	-46.94	369.57	8.95	-37.99
CSC1=CC(C)=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002105528	1	47	0.0	-47.05	375.77	8.97	-38.08
CC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OCC2CCCO2)=C1	REAL300002105648	0	58	0.0	-47.99	439.18	8.72	-39.27
CC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OCC2CCCO2)=C1	REAL300002105648	1	58	0.0	-46.83	445.37	8.74	-38.09
CC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OCC2CCOC2)=C1	REAL300002105759	0	58	0.0	-49.31	438.36	8.47	-40.84
CC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OCC2CCOC2)=C1	REAL300002105759	1	58	0.0	-48.51	444.87	8.53	-39.98
CC(C)C1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002105870	0	52	0.0	-47.15	368.78	8.84	-38.31
CC(C)C1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002105870	1	52	0.0	-47.37	374.95	8.84	-38.53
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC1=CC=CC(Cl)=C1	REAL300002105981	0	52	0.0	-48.89	402.84	10.51	-38.38
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC1=CC=CC(Cl)=C1	REAL300002105981	1	52	0.0	-46.40	396.08	10.07	-36.33
COCCC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300002106099	0	53	0.0	-46.44	380.45	7.44	-39.00
COCCC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300002106099	1	53	0.0	-48.36	387.59	7.32	-41.04
CCOCCC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300002106217	0	56	0.0	-47.31	403.39	8.43	-38.88
CCOCCC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300002106217	1	56	0.0	-48.04	409.76	8.44	-39.60
CC(C)CC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300002106383	0	55	0.0	-46.68	381.93	9.41	-37.27
CC(C)CC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300002106383	1	55	0.0	-47.29	388.14	9.42	-37.87
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCOC2(CCCCC2)C1	REAL300002106501	0	54	0.0	-48.03	378.20	7.89	-40.14
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCOC2(CCCCC2)C1	REAL300002106501	1	54	0.0	-48.30	383.71	7.87	-40.43
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCCOC1CCOC1	REAL300002106592	0	48	0.0	-47.90	361.14	4.23	-43.67
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCCOC1CCOC1	REAL300002106592	1	48	0.0	-49.47	363.05	4.67	-44.80
CS(=O)(=O)N1CCC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002106705	0	51	0.0	-57.59	393.01	4.25	-53.34
CS(=O)(=O)N1CCC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002106705	1	51	0.0	-55.04	385.51	3.80	-51.24
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC(Br)=CC=C32)C1	REAL300002106947	0	41	0.0	-43.72	324.34	9.34	-34.38
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC(Br)=CC=C32)C1	REAL300002106947	1	41	0.0	-45.85	326.25	9.79	-36.06
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002107064	1	46	0.0	-57.63	369.87	5.56	-52.07
CS(=O)(=O)CC1=CC(F)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002107064	1	46	0.0	-62.02	370.25	5.92	-56.10
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(F)C=CC(F)=C3C2)C1	REAL300002107177	0	44	0.0	-44.97	336.60	9.29	-35.68
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(F)C=CC(F)=C3C2)C1	REAL300002107177	1	44	0.0	-47.52	344.08	9.71	-37.81
CCC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC(F)=C1	REAL300002107349	0	50	0.0	-47.80	379.98	8.24	-39.56
CCC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=CC=CC(F)=C1	REAL300002107349	1	50	0.0	-46.36	378.55	7.87	-38.49
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC(Cl)=CC(Cl)=C3C2)C1	REAL300002107479	0	44	0.0	-44.79	356.89	10.12	-34.67
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC(Cl)=CC(Cl)=C3C2)C1	REAL300002107479	1	44	0.0	-44.97	358.06	10.55	-34.42
CC1=CC(F)=CC=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002107714	0	46	0.0	-52.14	353.74	8.70	-43.44
CC1=CC(F)=CC=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002107714	1	46	0.0	-52.77	361.38	8.79	-43.98
CC(CC1=CC=CC=C1Br)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002107831	0	46	0.0	-49.06	371.72	9.28	-39.78
CC(CC1=CC=CC=C1Br)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002107831	1	46	0.0	-50.28	369.06	9.61	-40.67
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(F)C=C(F)C=C3C2)C1	REAL300002107951	0	44	0.0	-53.14	344.78	9.79	-43.35
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(F)C=C(F)C=C3C2)C1	REAL300002107951	1	44	0.0	-51.88	344.93	9.77	-42.11
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OC3=CC=CC=C3Cl)C2)C1	REAL300002108078	0	48	0.0	-52.65	383.24	9.74	-42.91
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OC3=CC=CC=C3Cl)C2)C1	REAL300002108078	1	48	0.0	-48.03	377.29	9.35	-38.68
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300002108194	0	48	0.0	-55.38	370.58	9.35	-46.03
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300002108194	1	48	0.0	-53.67	365.10	9.39	-44.28
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCN(S(=O)(=O)C2CC2)CC1	REAL300002108313	0	52	0.0	-57.77	405.38	5.31	-52.46
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCN(S(=O)(=O)C2CC2)CC1	REAL300002108313	1	52	0.0	-57.15	398.67	5.28	-51.87
CC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300002108428	0	46	0.0	-50.87	360.30	8.97	-41.90
CC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300002108428	1	46	0.0	-49.36	361.42	8.99	-40.37
CC(CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300002108634	0	52	0.0	-50.64	412.40	10.32	-40.32
CC(CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300002108634	1	52	0.0	-51.26	412.72	10.32	-40.94
CCCOC1=CC(F)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002108743	1	47	0.0	-47.04	361.44	8.10	-38.94
CCCOC1=CC(F)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002108743	1	47	0.0	-47.56	362.24	8.54	-39.02
CC(C)COC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002108861	0	56	0.0	-49.19	426.47	9.98	-39.21
CC(C)COC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002108861	1	56	0.0	-49.77	421.01	10.01	-39.76
O=C([O-])C1CCC[N@H+](CC(=O)NCCCOC2=CC3=CC=CC=C3C=C2)C1	REAL300002108990	0	53	0.0	-52.37	414.19	10.06	-42.31
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCOC2=CC3=CC=CC=C3C=C2)C1	REAL300002108990	1	53	0.0	-51.72	413.55	10.04	-41.68
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=CC(F)=C2)C1	REAL300002109106	0	50	0.0	-50.40	398.56	11.55	-38.85
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=CC(F)=C2)C1	REAL300002109106	1	50	0.0	-50.13	397.39	11.52	-38.61
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OCCCC3=CC=CC=C3)C2)C1	REAL300002109222	0	57	0.0	-50.51	438.56	11.35	-39.16
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OCCCC3=CC=CC=C3)C2)C1	REAL300002109222	1	57	0.0	-51.12	432.71	11.33	-39.79
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2F)C2CCCC2)C1	REAL300002109339	0	53	0.0	-52.19	391.79	10.99	-41.20
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2F)C2CCCC2)C1	REAL300002109339	1	53	0.0	-51.17	390.83	10.96	-40.21
COC1=CC=C(C2=CC=C(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)S2)C=C1	REAL300002109453	0	51	0.0	-48.52	407.80	9.47	-39.05
COC1=CC=C(C2=CC=C(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)S2)C=C1	REAL300002109453	1	51	0.0	-50.80	413.99	9.49	-41.31
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300002109562	0	48	0.0	-57.09	375.62	9.54	-47.55
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300002109562	1	48	0.0	-57.96	376.80	9.57	-48.39
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OCC2CC2)C(F)=C1	REAL300002109679	0	54	0.0	-53.92	422.83	10.13	-43.79
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OCC2CC2)C(F)=C1	REAL300002109679	1	54	0.0	-52.12	423.94	10.17	-41.95
CCCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300002109791	0	49	0.0	-49.80	382.55	10.00	-39.80
CCCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300002109791	1	49	0.0	-54.53	383.38	10.46	-44.07
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC(F)=CC=C2F)C2CCCC2)C1	REAL300002109897	0	53	0.0	-43.73	386.04	11.67	-32.06
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC(F)=CC=C2F)C2CCCC2)C1	REAL300002109897	1	53	0.0	-45.68	393.36	11.89	-33.79
COC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1OCCC(C)C	REAL300002110001	0	60	0.0	-50.02	451.66	9.62	-40.40
COC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1OCCC(C)C	REAL300002110001	1	60	0.0	-52.15	457.87	9.64	-42.51
COC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300002110117	0	54	0.0	-50.28	409.04	8.14	-42.14
COC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300002110117	1	54	0.0	-52.41	415.25	8.16	-44.25
CC1=CC=C(CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)O1	REAL300002110224	0	47	0.0	-47.03	361.23	9.74	-37.29
CC1=CC=C(CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)O1	REAL300002110224	1	47	0.0	-47.76	363.16	9.87	-37.89
CC(C1=CC=CC=C1Cl)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300002110320	0	50	0.0	-46.64	373.77	11.39	-35.25
CC(C1=CC=CC=C1Cl)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC1	REAL300002110320	1	50	0.0	-44.84	374.42	11.84	-33.00
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2CCOC2)C2CC2)C1	REAL300002110392	0	48	0.0	-49.18	347.43	7.90	-41.28
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2CCOC2)C2CC2)C1	REAL300002110392	1	48	0.0	-45.80	346.15	7.40	-38.40
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC(C3=CC=CC=C3)CC2)C1	REAL300002110499	0	53	0.0	-49.23	396.30	10.55	-38.68
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC(C3=CC=CC=C3)CC2)C1	REAL300002110499	1	53	0.0	-48.75	391.96	10.97	-37.78
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1OC(F)F	REAL300002110629	0	47	0.0	-52.60	365.14	7.99	-44.61
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1OC(F)F	REAL300002110629	1	47	0.0	-51.49	365.13	7.96	-43.53
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC(F)=CC=C1F	REAL300002110750	0	43	0.0	-47.02	338.04	7.96	-39.06
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC(F)=CC=C1F	REAL300002110750	1	43	0.0	-49.59	338.89	8.43	-41.16
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(COCC3=CC=CO3)=C2)C1	REAL300002110960	0	54	0.0	-51.57	434.28	9.26	-42.31
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(COCC3=CC=CO3)=C2)C1	REAL300002110960	1	54	0.0	-51.58	428.08	9.24	-42.34
COC1=CC(F)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002111038	1	41	0.0	-47.63	318.07	6.38	-41.25
COC1=CC(F)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002111038	1	41	0.0	-47.97	319.72	6.80	-41.17
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(Cl)=C3OCCOC3=C2)C1	REAL300002111144	0	46	0.0	-52.25	377.17	7.12	-45.13
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(Cl)=C3OCCOC3=C2)C1	REAL300002111144	1	46	0.0	-50.03	370.97	7.09	-42.94
CC(C)OC1=CC=CC=C1C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002111269	0	53	0.0	-49.22	395.15	9.27	-39.95
CC(C)OC1=CC=CC=C1C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002111269	1	53	0.0	-49.27	395.18	9.25	-40.02
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC=CC=C2Cl)C1	REAL300002111387	0	47	0.0	-49.72	370.79	11.26	-38.46
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC=CC=C2Cl)C1	REAL300002111387	1	47	0.0	-49.01	364.06	11.24	-37.77
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC=C(Cl)C=C2)C1	REAL300002111494	0	47	0.0	-48.89	375.08	11.36	-37.53
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC=C(Cl)C=C2)C1	REAL300002111494	1	47	0.0	-49.41	368.85	11.35	-38.06
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC=C(Cl)C(Cl)=C2)C1	REAL300002111599	0	47	0.0	-49.80	390.25	11.83	-37.97
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC=C(Cl)C(Cl)=C2)C1	REAL300002111599	1	47	0.0	-47.96	384.12	11.80	-36.16
COC1=CC=CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1OC	REAL300002111710	0	51	0.0	-52.66	391.05	7.43	-45.23
COC1=CC=CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1OC	REAL300002111710	1	51	0.0	-49.51	389.14	6.98	-42.53
CC(CC1=CC=CC=C1F)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002111829	0	46	0.0	-44.69	356.79	9.46	-35.23
CC(CC1=CC=CC=C1F)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002111829	1	46	0.0	-51.83	357.16	9.18	-42.65
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC([N+](=O)[O-])=C2)C2CC2)C1	REAL300002111940	0	49	0.0	-59.53	378.31	11.41	-48.12
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC([N+](=O)[O-])=C2)C2CC2)C1	REAL300002111940	1	49	0.0	-60.95	379.11	11.65	-49.30
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2[N+](=O)[O-])C2CC2)C1	REAL300002112049	0	49	0.0	-54.65	375.51	11.91	-42.74
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2[N+](=O)[O-])C2CC2)C1	REAL300002112049	1	49	0.0	-46.79	367.56	10.43	-36.36
COCCOC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002112188	0	51	0.0	-48.62	395.48	6.90	-41.72
COCCOC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002112188	1	51	0.0	-50.89	401.69	6.92	-43.97
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(N3CCCS3(=O)=O)=C2)C1	REAL300002112315	0	49	0.0	-65.42	381.32	5.82	-59.60
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(N3CCCS3(=O)=O)=C2)C1	REAL300002112315	1	49	0.0	-58.16	386.56	5.81	-52.35
COC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300002112437	1	41	0.0	-53.64	340.14	7.25	-46.39
COC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300002112437	1	41	0.0	-52.84	334.41	7.30	-45.54
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CSC3=CC=CC=C23)C1	REAL300002112561	0	43	0.0	-46.47	345.48	8.33	-38.14
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CSC3=CC=CC=C23)C1	REAL300002112561	1	43	0.0	-47.23	347.41	8.77	-38.46
CC(C)(C)SCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002112638	0	46	0.0	-49.14	357.22	7.59	-41.55
CC(C)(C)SCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002112638	1	46	0.0	-49.72	357.86	7.61	-42.11
COC1=C(F)C=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300002112734	1	41	0.0	-55.97	336.63	6.84	-49.13
COC1=C(F)C=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300002112734	1	41	0.0	-52.49	329.16	6.39	-46.10
O=C([O-])C1CCC[N@H+](CC(=O)N(CCC2=CC=CC=C2)CCC2=CC=CC=C2)C1	REAL300002112833	0	59	0.0	-49.92	458.19	14.99	-34.93
O=C([O-])C1CCC[N@@H+](CC(=O)N(CCC2=CC=CC=C2)CCC2=CC=CC=C2)C1	REAL300002112833	1	59	0.0	-49.14	457.00	14.96	-34.18
CC1=CC=C(OCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002112931	0	47	0.0	-48.65	367.36	7.69	-40.96
CC1=CC=C(OCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002112931	1	47	0.0	-48.91	368.01	7.71	-41.20
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=CC=C2F)C1	REAL300002113041	0	44	0.0	-50.47	352.83	7.10	-43.37
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=CC=C2F)C1	REAL300002113041	1	44	0.0	-50.60	352.19	7.08	-43.52
CS(=O)(=O)CC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002113159	1	46	0.0	-59.99	374.98	5.49	-54.50
CS(=O)(=O)CC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002113159	1	46	0.0	-60.70	369.78	5.50	-55.20
CS(=O)(=O)CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002113288	0	46	0.0	-60.47	375.75	5.50	-54.97
CS(=O)(=O)CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002113288	1	46	0.0	-61.00	375.92	5.50	-55.50
CSC1=CC=CC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002113449	0	44	0.0	-46.84	346.03	9.57	-37.27
CSC1=CC=CC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002113449	1	44	0.0	-50.76	346.85	10.04	-40.72
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(Br)C=C3)CCC2)C1	REAL300002113546	0	47	0.0	-46.83	368.43	9.39	-37.44
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C(Br)C=C3)CCC2)C1	REAL300002113546	1	47	0.0	-49.83	375.25	9.94	-39.89
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CC2CC1C1CCCC21	REAL300002113627	0	51	0.0	-47.66	360.96	9.64	-38.02
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CC2CC1C1CCCC21	REAL300002113627	1	51	0.0	-46.95	362.39	9.08	-37.87
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2)C2CCCC2)C1	REAL300002113728	0	53	0.0	-49.44	393.24	11.31	-38.13
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2)C2CCCC2)C1	REAL300002113728	1	53	0.0	-48.02	391.66	11.21	-36.81
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=C(F)C=C2)C2CCCO2)C1	REAL300002113837	0	51	0.0	-47.15	387.41	8.80	-38.35
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=C(F)C=C2)C2CCCO2)C1	REAL300002113837	1	51	0.0	-53.88	398.08	8.94	-44.94
CC(C)OC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300002113953	1	47	0.0	-47.41	359.11	7.90	-39.51
CC(C)OC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300002113953	1	47	0.0	-47.23	361.54	8.37	-38.86
CC(CC1=CC=C(Cl)C=C1Cl)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002114079	0	46	0.0	-51.16	387.74	10.04	-41.12
CC(CC1=CC=C(Cl)C=C1Cl)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002114079	1	46	0.0	-53.27	382.61	10.04	-43.23
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2C=C1	REAL300002114188	0	49	0.0	-48.97	378.52	12.09	-36.88
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2C=C1	REAL300002114188	1	49	0.0	-49.78	378.92	12.11	-37.67
COC1=CC=C(C(C)(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002114302	0	53	0.0	-50.66	395.22	8.52	-42.14
COC1=CC=C(C(C)(C)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002114302	1	53	0.0	-47.84	388.50	8.09	-39.75
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCCOC1CCCC1	REAL300002114396	0	50	0.0	-48.55	378.50	7.30	-41.25
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCCOC1CCCC1	REAL300002114396	1	50	0.0	-47.96	377.86	7.28	-40.68
CCOC1=CC=C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300002114506	0	51	0.0	-48.71	384.58	9.86	-38.85
CCOC1=CC=C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300002114506	1	51	0.0	-49.78	384.48	9.87	-39.91
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCOC3=CC=CC=C32)C1	REAL300002114634	0	48	0.0	-53.11	364.57	7.90	-45.21
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCOC3=CC=CC=C32)C1	REAL300002114634	1	48	0.0	-52.06	358.37	7.87	-44.19
CC(C)(C)OC(=O)C1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300002114748	0	55	0.0	-48.95	393.85	9.68	-39.27
CC(C)(C)OC(=O)C1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300002114748	1	55	0.0	-51.29	401.14	9.72	-41.57
CC1=CC=CC(OC(F)F)=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002114851	1	44	0.0	-49.26	346.67	7.48	-41.78
CC1=CC=CC(OC(F)F)=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002114851	1	44	0.0	-51.95	347.31	7.90	-44.05
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(Br)C=CC=C3C2)C1	REAL300002114964	0	44	0.0	-51.06	351.11	10.16	-40.90
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(Br)C=CC=C3C2)C1	REAL300002114964	1	44	0.0	-49.79	351.18	10.16	-39.63
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(OC3CCCCC3)C=C2)C1	REAL300002115086	0	57	0.0	-46.18	419.51	9.73	-36.45
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(OC3CCCCC3)C=C2)C1	REAL300002115086	1	57	0.0	-47.18	421.42	10.17	-37.01
COCCOCCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002115243	0	50	0.0	-51.00	388.30	5.23	-45.77
COCCOCCCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002115243	1	50	0.0	-51.65	388.94	5.25	-46.40
COC1=CC=C(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300002115359	0	51	0.0	-49.63	387.01	9.51	-40.12
COC1=CC=C(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300002115359	1	51	0.0	-50.21	386.88	9.52	-40.69
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CSC=C2)C2=CC=CC=C2)C1	REAL300002115480	0	47	0.0	-48.25	357.87	11.17	-37.08
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CSC=C2)C2=CC=CC=C2)C1	REAL300002115480	1	47	0.0	-42.57	382.50	11.80	-30.77
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2C2=CC=C(Cl)C=C2)C1	REAL300002115596	0	50	0.0	-47.01	408.37	11.38	-35.63
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2C2=CC=C(Cl)C=C2)C1	REAL300002115596	1	50	0.0	-47.80	402.08	11.36	-36.44
CC1=NC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=NC2=CC=CC=C12	REAL300002115715	0	47	0.0	-50.00	365.22	7.26	-42.74
CC1=NC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=NC2=CC=CC=C12	REAL300002115715	1	47	0.0	-50.94	371.41	7.28	-43.66
CC1=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=CC=C1OCC(F)(F)F	REAL300002115842	0	47	0.0	-52.28	377.35	8.90	-43.38
CC1=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=CC=C1OCC(F)(F)F	REAL300002115842	1	47	0.0	-51.04	371.87	8.94	-42.10
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC=C3)CC2)C1	REAL300002115912	0	44	0.0	-45.26	336.84	8.19	-37.07
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC=C3)CC2)C1	REAL300002115912	1	44	0.0	-48.74	341.50	8.94	-39.80
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(S(=O)(=O)C(F)F)=C2)C1	REAL300002116011	1	43	0.0	-54.50	358.62	5.24	-49.26
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(S(=O)(=O)C(F)F)=C2)C1	REAL300002116011	1	43	0.0	-56.75	364.11	5.22	-51.53
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC=C3)CCCCCC2)C1	REAL300002116135	0	59	0.0	-47.52	409.16	11.19	-36.33
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC=C3)CCCCCC2)C1	REAL300002116135	1	59	0.0	-45.57	403.00	11.17	-34.40
COC1=CC=C(COCCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002116262	0	54	0.0	-51.02	422.59	7.53	-43.49
COC1=CC=C(COCCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002116262	1	54	0.0	-51.61	423.24	7.55	-44.06
CSC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300002116389	0	41	0.0	-52.14	345.17	8.78	-43.36
CSC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300002116389	1	41	0.0	-55.38	339.95	8.78	-46.60
C#CC1=CC=CC(N(CC)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002116543	0	45	0.0	-50.08	359.61	11.01	-39.07
C#CC1=CC=CC(N(CC)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002116543	1	45	0.0	-46.12	352.14	10.54	-35.58
COC1=CC=CC2=C1OCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300002116649	0	49	0.0	-54.94	376.62	7.35	-47.59
COC1=CC=CC2=C1OCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300002116649	1	49	0.0	-56.50	371.13	7.39	-49.11
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2)C2CCC2)C1	REAL300002116765	0	50	0.0	-48.87	370.11	10.87	-38.00
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2)C2CCC2)C1	REAL300002116765	1	50	0.0	-47.35	374.80	10.20	-37.15
CC(C)C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002117689	0	49	0.0	-75.16	374.55	9.68	-65.48
CC1=NC(C[NH+]2CCC(C(=O)NC(C(=O)[O-])C(C)C)CC2)=CS1	REAL300002118761	1	48	0.0	-74.39	382.00	7.44	-66.95
CC(C)C(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002118796	0	52	0.0	-77.34	405.62	9.23	-68.11
CC(C)C(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002118801	0	52	0.0	-79.44	403.98	11.29	-68.15
CC(C)C(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002118801	1	52	0.0	-78.67	408.33	11.53	-67.14
CC(C)C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002118888	0	42	0.0	-78.00	342.62	7.10	-70.90
CC(C)C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002118905	0	50	0.0	-53.23	355.37	6.57	-46.66
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C(C)C)C=C1)C(C)C	REAL300002118917	0	51	0.0	-79.09	369.91	9.40	-69.69
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C(C)C)C=C1)C(C)C	REAL300002118917	1	51	0.0	-79.16	366.03	8.90	-70.26
CC(C)C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002118931	0	46	0.0	-63.41	353.80	8.83	-54.58
CC(C)C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002118931	1	46	0.0	-63.74	355.60	8.93	-54.81
CC(C)C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002118932	0	47	0.0	-71.66	351.37	8.12	-63.54
CC(C)C(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002118950	0	50	0.0	-67.26	345.18	6.19	-61.07
CC(C)C(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002118957	0	52	0.0	-71.14	397.11	10.51	-60.63
CC(C)C(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002118957	1	52	0.0	-71.13	397.10	10.50	-60.63
CC(C)C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002118991	0	46	0.0	-80.68	355.55	9.02	-71.66
CC(C)C(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002118994	0	49	0.0	-74.60	373.18	9.79	-64.81
CCN1CCC([NH+]2CCC(C(=O)NC(C(=O)[O-])C(C)C)CC2)CC1	REAL300002119000	0	57	0.0	-72.38	399.46	6.94	-65.44
CC(C)C(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300002119005	1	53	0.0	-83.28	403.59	8.82	-74.46
CC(C)C(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002119014	1	50	0.0	-77.53	379.10	8.96	-68.57
CC(C)C(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002119014	1	50	0.0	-76.76	375.42	8.76	-68.00
CC1=C(C(=O)NC(C(=O)[O-])C(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300002119027	1	40	0.0	-79.51	329.23	6.33	-73.18
CC(C)C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002119030	0	49	0.0	-80.53	366.95	9.53	-71.00
CC(C)C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002119041	1	47	0.0	-72.96	356.08	8.07	-64.89
CC(C)C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002119041	1	47	0.0	-54.54	357.49	8.31	-46.23
CC(C)C(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002119049	0	55	0.0	-58.61	401.97	10.55	-48.06
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C(C)C	REAL300002119066	0	49	0.0	-64.37	378.74	5.06	-59.31
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C(C)C	REAL300002119066	1	49	0.0	-66.45	381.64	5.08	-61.37
CC(C)C(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002119072	0	54	0.0	-70.91	404.90	8.58	-62.33
CC(C)C(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002119088	0	53	0.0	-69.17	387.45	6.42	-62.75
CC(C)C(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002119088	1	53	0.0	-69.00	386.62	6.21	-62.79
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C(=O)[O-])C(C)C)CC2)=C1	REAL300002119092	0	54	0.0	-69.28	407.67	8.45	-60.83
CC(C)C(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002119093	0	51	0.0	-69.10	386.27	7.79	-61.31
CC(C)C(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002119096	0	48	0.0	-68.67	365.18	7.62	-61.05
CC(C)C(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002119096	1	48	0.0	-62.57	358.25	7.76	-54.81
CC(C)C(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002119099	1	46	0.0	-57.63	345.64	9.00	-48.63
CC(C)C(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002119099	1	46	0.0	-59.39	344.16	8.78	-50.61
CC(C)C(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002119113	0	49	0.0	-73.29	373.58	9.46	-63.83
CC(C)C(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002119113	1	49	0.0	-71.11	375.13	9.64	-61.47
CC(C)C(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002119124	0	49	0.0	-67.29	370.41	9.67	-57.62
CC(C)C(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002119124	1	49	0.0	-60.66	369.13	9.75	-50.91
CC(C)C(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002119126	0	50	0.0	-67.89	382.07	7.23	-60.66
CC(C)C(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002119139	1	49	0.0	-75.95	375.26	8.01	-67.94
CC(C)C(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300002119150	0	51	0.0	-71.25	384.71	7.21	-64.04
CC(C)C(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002119151	0	51	0.0	-78.86	389.35	7.18	-71.68
CC(C)C(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300002119151	1	51	0.0	-81.13	383.78	7.02	-74.11
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300002119152	0	52	0.0	-78.32	387.19	8.65	-69.67
CC(C)C(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002119176	0	53	0.0	-83.27	401.99	7.11	-76.16
CC(C)C(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002119178	0	49	0.0	-65.47	374.61	9.64	-55.83
CC(C)C(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002119178	1	49	0.0	-65.46	374.52	9.64	-55.82
CC(C)C(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002119243	1	47	0.0	-81.87	362.06	8.14	-73.73
CC(C)C(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002119243	1	47	0.0	-81.70	361.69	8.13	-73.57
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C(C)C)CC2)[NH+]=C1	REAL300002119276	1	48	0.0	-70.22	367.49	7.52	-62.70
CC(C)C(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300002119279	0	54	0.0	-81.41	396.77	8.31	-73.10
CC(C)C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002119300	0	49	0.0	-73.84	373.46	9.35	-64.49
CC(C)C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002119300	1	49	0.0	-66.27	368.90	9.28	-56.99
CC(C)C(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002119313	0	50	0.0	-82.76	391.03	8.69	-74.07
CC(C)C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002119322	0	46	0.0	-73.87	355.67	8.05	-65.82
CC(C)C(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002119717	0	46	0.0	-81.79	359.49	7.78	-74.01
CC(C)C(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002119761	0	52	0.0	-64.98	387.25	10.16	-54.82
CC(C)C(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002119763	1	50	0.0	-82.29	373.06	7.89	-74.40
CC(C)C(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002119763	1	50	0.0	-83.40	377.11	8.14	-75.26
CCC1CCC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])CC1	REAL300002120844	0	59	0.0	-77.79	426.17	12.77	-65.02
CCC1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)(C(=O)[O-])CC1	REAL300002122142	0	53	0.0	-75.36	378.86	10.61	-64.75
CCC1CCC(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)(C(=O)[O-])CC1	REAL300002122169	1	51	0.0	-60.16	366.27	9.56	-50.60
CCC1CCC(NC(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)(C(=O)[O-])CC1	REAL300002122232	1	58	0.0	-78.43	433.56	10.53	-67.90
CCC1CCC(NC(=O)C(C)N2CC[NH+](C)CC2)(C(=O)[O-])CC1	REAL300002122233	1	54	0.0	-64.22	369.63	6.57	-57.65
CCC1CCC(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)(C(=O)[O-])CC1	REAL300002122304	0	62	0.0	-83.08	459.08	12.28	-70.80
CCC1CCC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)(C(=O)[O-])CC1	REAL300002122360	0	44	0.0	-68.45	328.83	10.35	-58.10
CCC1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)(C(=O)[O-])CC1	REAL300002122388	0	58	0.0	-63.34	379.87	11.15	-52.19
CCC1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)(C(=O)[O-])CC1	REAL300002122392	0	58	0.0	-68.93	403.42	11.14	-57.79
CCC1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)(C(=O)[O-])CC1	REAL300002122392	1	58	0.0	-68.09	403.43	11.14	-56.95
CCC1CCC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)(C(=O)[O-])CC1	REAL300002122451	0	52	0.0	-86.73	394.22	10.20	-76.53
CCC1CCC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)(C(=O)[O-])CC1	REAL300002122466	0	60	0.0	-82.15	416.76	9.81	-72.34
CCC1CCC(NC(=O)CCCN2C=C[NH+]=C2C)(C(=O)[O-])CC1	REAL300002122493	1	50	0.0	-69.77	375.98	10.44	-59.33
CCC1CCC(NC(=O)CCCC[NH+]2CCOCC2)(C(=O)[O-])CC1	REAL300002122494	1	56	0.0	-72.18	396.95	8.42	-63.76
CCC1CCC(NC(=O)C2=CC=C(C[N@H+](CC)C(C)C)C=C2)(C(=O)[O-])CC1	REAL300002122495	0	61	0.0	-84.35	423.48	12.30	-72.05
CCC1CCC(NC(=O)C2=CC=C(C[N@@H+](CC)C(C)C)C=C2)(C(=O)[O-])CC1	REAL300002122495	1	61	0.0	-83.41	428.14	12.49	-70.92
CCC1CCC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300002122515	0	56	0.0	-68.65	408.12	11.91	-56.74
CCC1CCC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300002122515	1	56	0.0	-61.22	404.31	11.29	-49.93
CCC1CCC(NC(=O)C2CC[NH+](C3CCSC3)CC2)(C(=O)[O-])CC1	REAL300002122516	0	57	0.0	-77.77	410.27	11.40	-66.37
CCC1CCC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)(C(=O)[O-])CC1	REAL300002122544	0	60	0.0	-64.15	395.41	8.46	-55.69
CCC(C(=O)NC1(C(=O)[O-])CCC(CC)CC1)[NH+](CC)CC	REAL300002122548	0	54	0.0	-53.83	371.29	9.72	-44.11
CCC1CCC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)(C(=O)[O-])CC1	REAL300002122550	0	55	0.0	-58.94	398.16	11.43	-47.51
CCC1CCC(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)(C(=O)[O-])CC1	REAL300002122550	1	55	0.0	-59.67	398.74	11.49	-48.18
CCC1CCC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300002122557	0	62	0.0	-66.24	442.32	12.89	-53.35
CCC1CCC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300002122557	1	62	0.0	-62.84	439.10	13.61	-49.23
CCC1CCC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)(C(=O)[O-])CC1	REAL300002122571	0	51	0.0	-77.98	372.62	8.47	-69.51
CCC[NH+](CCC)CCCC(=O)NC1(C(=O)[O-])CCC(CC)CC1	REAL300002122578	0	60	0.0	-65.73	416.75	10.76	-54.97
CCC1CCC(NC(=O)CN2C=C[NH+]=C2C(C)C)(C(=O)[O-])CC1	REAL300002122587	1	50	0.0	-59.18	370.75	10.24	-48.94
CCC1CCC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)(C(=O)[O-])CC1	REAL300002122601	0	56	0.0	-86.64	407.09	12.12	-74.52
CCC1CCC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)(C(=O)[O-])CC1	REAL300002122606	0	59	0.0	-71.49	418.39	12.19	-59.30
CCC1CCC(NC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)(C(=O)[O-])CC1	REAL300002122611	0	67	0.0	-77.46	458.77	10.35	-67.11
CCC1CCC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])CC1	REAL300002122630	1	60	0.0	-76.51	426.22	11.04	-65.47
CCC1CCC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])CC1	REAL300002122630	1	60	0.0	-75.79	426.24	11.04	-64.75
CCC1CCC(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)(C(=O)[O-])CC1	REAL300002122644	1	50	0.0	-77.84	372.78	8.63	-69.21
CCC1CCC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)(C(=O)[O-])CC1	REAL300002122647	0	59	0.0	-86.98	424.41	12.85	-74.13
CCC1CCC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)(C(=O)[O-])CC1	REAL300002122658	1	52	0.0	-76.02	382.07	8.96	-67.06
CCC1CCC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)(C(=O)[O-])CC1	REAL300002122659	0	55	0.0	-90.73	405.65	11.89	-78.84
CCC1CCC(NC(=O)C2=CC=C(C)[NH+]=C2NC)(C(=O)[O-])CC1	REAL300002122665	1	48	0.0	-56.11	347.97	7.81	-48.30
CCC1CCC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])CC1	REAL300002122666	1	57	0.0	-59.30	409.82	11.01	-48.29
CCC1CCC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])CC1	REAL300002122666	1	57	0.0	-73.94	419.15	11.19	-62.75
CCC1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)(C(=O)[O-])CC1	REAL300002122714	0	54	0.0	-59.54	375.16	10.02	-49.52
CCC1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)(C(=O)[O-])CC1	REAL300002122714	1	54	0.0	-60.52	372.85	9.89	-50.63
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CC(C)[N@H+]1CCCC(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C1	REAL300002129088	1	50	0.0	-66.74	365.97	10.35	-56.39
C[N@@H+]1CC(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C(C(F)(F)F)C1	REAL300002129089	0	44	0.0	-77.42	340.34	9.57	-67.85
C[N@H+]1CC(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C(C(F)(F)F)C1	REAL300002129089	1	44	0.0	-75.57	342.64	9.17	-66.40
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)N1	REAL300002129114	1	45	0.0	-64.69	361.84	9.17	-55.52
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300002129620	0	50	0.0	-73.90	390.52	11.79	-62.11
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300002129628	0	51	0.0	-74.04	399.11	10.81	-63.23
O=C([O-])C1=CC=C2CCN(C(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)CC2=C1	REAL300002129725	0	57	0.0	-73.13	431.32	13.83	-59.30
CC1CN(CC2=CC=C(C(=O)N3CCC4=CC=C(C(=O)[O-])C=C4C3)C=C2)CCO1	REAL300002129727	0	55	0.0	-77.06	421.98	11.17	-65.89
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC4=CC=C(C(=O)[O-])C=C4C3)C=C2)CCO1	REAL300002129727	1	55	0.0	-77.34	422.13	11.17	-66.17
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC4=CC=C(C(=O)[O-])C=C4C3)C=C2)CCO1	REAL300002129727	1	55	0.0	-77.34	422.13	11.17	-66.17
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C1	REAL300002129770	0	44	0.0	-72.10	340.76	9.58	-62.52
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)CC1	REAL300002129774	0	50	0.0	-78.06	360.41	10.33	-67.73
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4=CC=C(C(=O)[O-])C=C4C3)=CN21	REAL300002129778	0	42	0.0	-66.82	347.70	11.00	-55.82
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C1	REAL300002129842	0	53	0.0	-69.98	392.36	11.43	-58.55
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C1	REAL300002129842	1	53	0.0	-68.10	388.27	11.29	-56.81
CC[N@@H+]1CCCC(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C1	REAL300002129843	0	47	0.0	-65.89	343.21	10.02	-55.87
CC[N@H+]1CCCC(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C1	REAL300002129843	1	47	0.0	-75.25	344.35	10.18	-65.07
C[N@@H+]1CCCC(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C1	REAL300002129847	0	44	0.0	-85.25	335.09	9.35	-75.90
C[N@H+]1CCCC(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C1	REAL300002129847	1	44	0.0	-71.57	326.38	9.24	-62.33
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)O1	REAL300002129849	1	44	0.0	-70.42	352.93	9.67	-60.75
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C1	REAL300002129855	0	53	0.0	-86.89	371.51	10.41	-76.48
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC3=CC=C(C(=O)[O-])C=C3C2)C1	REAL300002129855	1	53	0.0	-87.89	363.87	9.98	-77.91
O=C([O-])C1=CC=C2CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC2=C1	REAL300002129858	1	46	0.0	-63.79	343.52	11.17	-52.62
CC1(C(=O)[O-])CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300002131175	0	53	0.0	-76.60	386.59	11.05	-65.55
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300002131956	0	50	0.0	-66.24	367.27	10.42	-55.82
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300002131956	1	50	0.0	-62.73	361.94	10.05	-52.68
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300002132752	1	50	0.0	-70.17	378.57	10.55	-59.62
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300002132752	1	50	0.0	-67.84	382.23	10.95	-56.89
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C)(C(=O)[O-])CC3)CN12	REAL300002132840	1	45	0.0	-63.46	332.87	8.50	-54.96
CC1(C(=O)[O-])CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300002132841	0	53	0.0	-63.95	374.92	10.28	-53.67
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(C)(C(=O)[O-])CC3)CC2)=CS1	REAL300002132906	1	52	0.0	-76.01	393.93	8.79	-67.22
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300002132981	0	56	0.0	-76.06	420.11	10.76	-65.30
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300002132995	0	56	0.0	-76.74	420.75	12.73	-64.01
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300002132995	1	56	0.0	-76.58	420.67	12.73	-63.85
CC1(C(=O)[O-])CCN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300002132996	0	56	0.0	-65.02	390.43	11.06	-53.96
CC1(C(=O)[O-])CCN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300002133039	0	53	0.0	-66.46	391.47	10.62	-55.84
CC1(C(=O)[O-])CCN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300002133039	1	53	0.0	-64.73	391.67	10.58	-54.15
C[NH+](C)CC1(C(=O)N2CCC(C)(C(=O)[O-])CC2)CCCCC1	REAL300002133079	0	52	0.0	-77.36	340.59	9.35	-68.01
C[N@H+](CCC(=O)N1CCC(C)(C(=O)[O-])CC1)C1CCCCC1	REAL300002133082	0	52	0.0	-71.09	363.68	9.53	-61.56
C[N@@H+](CCC(=O)N1CCC(C)(C(=O)[O-])CC1)C1CCCCC1	REAL300002133082	1	52	0.0	-71.68	363.86	9.60	-62.08
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300002133106	1	53	0.0	-66.16	377.69	10.56	-55.60
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300002133106	1	53	0.0	-70.88	387.92	11.09	-59.79
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300002133107	1	50	0.0	-71.08	368.25	10.10	-60.98
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300002133107	1	50	0.0	-68.71	371.90	10.50	-58.21
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300002133162	0	46	0.0	-78.30	353.92	8.24	-70.06
C[NH+](C)CCN1N=CC(C(=O)N2CCC(C)(C(=O)[O-])CC2)=C1C1=CC=CC=C1	REAL300002133167	0	56	0.0	-77.51	422.09	10.30	-67.21
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300002133193	0	53	0.0	-63.46	353.84	9.51	-53.95
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300002133193	1	53	0.0	-63.60	357.72	9.61	-53.99
CC1(C(=O)[O-])CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300002133194	0	54	0.0	-76.33	377.89	8.14	-68.19
CC1(C(=O)[O-])CCN(C(=O)CCCC[NH+]2CCOCC2)CC1	REAL300002133222	1	50	0.0	-75.72	363.71	7.57	-68.15
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1)C(C)C	REAL300002133223	0	55	0.0	-73.49	387.22	10.49	-63.00
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1)C(C)C	REAL300002133223	1	55	0.0	-74.76	382.33	10.24	-64.52
CC1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300002133247	0	50	0.0	-71.42	364.86	10.19	-61.23
CC1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300002133247	1	50	0.0	-70.64	366.51	10.26	-60.38
CC1(C(=O)[O-])CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300002133248	0	51	0.0	-80.66	369.19	9.76	-70.90
C[NH+]1CCN(C(C(=O)N2CCC(C)(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300002133270	1	55	0.0	-70.68	389.77	8.17	-62.51
CC1(C(=O)[O-])CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	REAL300002133271	0	54	0.0	-59.16	365.18	8.12	-51.04
CC(C(=O)N1CCC(C)(C(=O)[O-])CC1)[N@H+](C)CC1=CC=CC=C1	REAL300002133274	0	49	0.0	-67.48	356.52	9.78	-57.70
CC(C(=O)N1CCC(C)(C(=O)[O-])CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300002133274	1	49	0.0	-64.43	357.72	9.81	-54.62
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300002133284	0	56	0.0	-77.70	408.99	11.92	-65.78
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300002133284	1	56	0.0	-63.79	398.38	11.72	-52.07
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)C=N1	REAL300002133315	0	45	0.0	-76.47	339.64	7.19	-69.28
CCC[NH+](CCC)CCCC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002133327	0	54	0.0	-72.55	383.54	9.91	-62.64
CC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CC1	REAL300002133328	0	54	0.0	-60.71	385.03	7.26	-53.45
CC[N@H+](C)C(C(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300002133329	0	49	0.0	-65.28	354.76	9.86	-55.42
CC[N@@H+](C)C(C(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300002133329	1	49	0.0	-65.46	354.69	9.82	-55.64
CC[NH+](CC)C(C(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300002133334	0	52	0.0	-60.45	363.78	10.50	-49.95
C[NH+](C)C(C(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300002133340	1	46	0.0	-64.59	350.29	9.67	-54.92
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300002133354	0	50	0.0	-79.58	367.69	10.25	-69.33
CC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300002133361	0	53	0.0	-72.82	385.61	10.99	-61.83
CCC(C(=O)N1CCC(C)(C(=O)[O-])CC1)[N@@H+]1CCOC(CC)C1	REAL300002133364	1	53	0.0	-63.46	363.58	7.93	-55.53
CCC(C(=O)N1CCC(C)(C(=O)[O-])CC1)[N@H+]1CCOC(CC)C1	REAL300002133364	1	53	0.0	-63.77	363.57	7.93	-55.84
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C)(C(=O)[O-])CC3)CC2)CC1	REAL300002133367	0	61	0.0	-75.20	419.46	8.74	-66.46
CC1C[NH+](CC2=CC=C(C(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2)CC(C)O1	REAL300002133374	1	57	0.0	-80.04	418.76	9.98	-70.06
CC1(C(=O)[O-])CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300002133383	1	54	0.0	-80.70	392.82	10.41	-70.29
CC1(C(=O)[O-])CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300002133383	1	54	0.0	-79.69	399.60	10.46	-69.23
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300002133397	0	53	0.0	-63.75	371.32	10.57	-53.18
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300002133397	1	53	0.0	-62.73	371.89	10.53	-52.20
CC1=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)C=NN1C1=CC=[NH+]C=C1	REAL300002133399	1	44	0.0	-76.42	340.17	7.48	-68.94
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300002133407	0	53	0.0	-77.45	385.12	10.91	-66.54
CC1(C(=O)[O-])CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1	REAL300002133419	1	46	0.0	-77.49	346.67	8.33	-69.16
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300002133420	0	49	0.0	-78.73	366.36	9.95	-68.78
CC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300002133428	1	51	0.0	-78.08	368.11	9.58	-68.50
CC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300002133428	1	51	0.0	-77.35	368.01	9.54	-67.81
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002133434	0	60	0.0	-65.33	428.62	12.13	-53.20
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002133434	1	60	0.0	-61.73	425.23	11.28	-50.45
CC(C(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002133442	0	59	0.0	-67.05	413.29	12.03	-55.02
CC(C(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCSCC1	REAL300002133472	1	44	0.0	-65.91	322.45	7.86	-58.05
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002133479	0	49	0.0	-71.87	364.40	10.32	-61.55
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002133479	1	49	0.0	-72.04	364.41	10.33	-61.71
COCCOCC[N@H+](C)CCC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002133480	0	53	0.0	-72.49	393.61	6.61	-65.88
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002133480	1	53	0.0	-73.68	394.24	6.62	-67.06
CC1(C(=O)[O-])CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300002133490	0	58	0.0	-77.36	419.75	10.12	-67.24
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC1	REAL300002133491	1	52	0.0	-66.51	366.29	8.76	-57.75
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC1	REAL300002133491	1	52	0.0	-66.85	366.90	8.79	-58.06
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC1	REAL300002133492	1	52	0.0	-64.70	376.36	9.21	-55.49
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC1	REAL300002133492	1	52	0.0	-62.22	376.24	9.12	-53.10
C[N@H+](CC(=O)N1CCC(C)(C(=O)[O-])CC1)C1CCSC1	REAL300002133516	0	44	0.0	-74.03	324.76	8.12	-65.91
C[N@@H+](CC(=O)N1CCC(C)(C(=O)[O-])CC1)C1CCSC1	REAL300002133516	1	44	0.0	-72.16	324.55	8.13	-64.03
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300002133527	0	54	0.0	-71.73	377.44	6.95	-64.78
CC(C)N1CC[NH+](CCC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300002133527	1	54	0.0	-71.55	377.90	6.98	-64.57
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300002133528	0	57	0.0	-69.36	402.91	7.97	-61.39
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300002133528	1	57	0.0	-73.06	401.69	7.94	-65.12
C[NH+](C)CCN1C=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)C=N1	REAL300002133530	0	46	0.0	-78.61	346.83	7.11	-71.50
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(C)(C(=O)[O-])CC3)CC2)=C1	REAL300002133535	0	58	0.0	-75.88	420.26	10.02	-65.86
CC1(C(=O)[O-])CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300002133537	0	55	0.0	-75.92	398.85	9.35	-66.57
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300002133541	0	52	0.0	-77.62	381.41	9.29	-68.33
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300002133541	1	52	0.0	-81.39	371.87	9.07	-72.32
CC(C(=O)N1CCC(C)(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002133546	0	50	0.0	-67.71	362.56	10.31	-57.40
CC(C(=O)N1CCC(C)(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002133546	1	50	0.0	-66.72	361.99	10.31	-56.41
CC(C(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300002133548	1	55	0.0	-69.33	398.41	9.08	-60.25
CCC(CC)C(C(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300002133561	1	56	0.0	-59.34	369.57	8.07	-51.27
CC1(C(=O)[O-])CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300002133574	0	53	0.0	-75.23	388.54	11.13	-64.10
CC1(C(=O)[O-])CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300002133574	1	53	0.0	-75.44	388.40	11.15	-64.29
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C)(C(=O)[O-])CC2)=N1	REAL300002133586	0	46	0.0	-80.60	347.05	7.74	-72.86
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002133587	0	46	0.0	-68.50	341.60	7.10	-61.40
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002133592	1	47	0.0	-64.85	351.40	9.21	-55.64
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(C)(C(=O)[O-])CC2)=NN1	REAL300002133595	1	47	0.0	-77.42	343.46	6.78	-70.64
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(C)(C(=O)[O-])CC2)=NN1	REAL300002133595	1	47	0.0	-77.31	341.10	6.76	-70.55
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300002133606	0	53	0.0	-73.97	392.26	11.08	-62.89
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300002133606	1	53	0.0	-81.11	383.42	10.98	-70.13
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC1	REAL300002133607	1	49	0.0	-61.11	358.36	8.39	-52.72
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC1	REAL300002133607	1	49	0.0	-71.91	365.12	8.67	-63.24
CC1(C(=O)[O-])CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC1	REAL300002133611	0	54	0.0	-75.66	396.01	8.75	-66.91
CC1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300002133657	0	53	0.0	-68.92	369.15	9.78	-59.14
CC1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC1	REAL300002133657	1	53	0.0	-70.11	368.53	9.72	-60.39
CC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)CC1	REAL300002133677	0	58	0.0	-82.32	411.54	10.01	-72.31
CC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)CC1	REAL300002133677	1	58	0.0	-75.63	415.10	9.78	-65.85
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002133684	0	50	0.0	-64.03	338.49	6.49	-57.54
CC(C)[N@@H+]1CCC(C(=O)N2CCC(C)(C(=O)[O-])CC2)C(C2=CN(C)N=C2)C1	REAL300002133687	0	59	0.0	-77.02	412.10	9.59	-67.43
CC(C)[N@H+]1CCC(C(=O)N2CCC(C)(C(=O)[O-])CC2)C(C2=CN(C)N=C2)C1	REAL300002133687	1	59	0.0	-79.37	424.48	9.80	-69.57
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(C)(C(=O)[O-])CC2)C=N1	REAL300002133688	0	53	0.0	-84.42	390.87	8.71	-75.71
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(C)(C(=O)[O-])CC2)C=N1	REAL300002133688	1	53	0.0	-73.70	376.90	8.42	-65.28
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(C)(C(=O)[O-])CC3)=C2)CC1	REAL300002133694	0	55	0.0	-71.39	402.49	8.52	-62.87
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2)CC1	REAL300002133695	0	55	0.0	-74.68	400.15	8.29	-66.39
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2)CC1	REAL300002133695	1	55	0.0	-80.58	400.97	8.41	-72.17
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300002133696	0	56	0.0	-76.49	406.61	10.21	-66.28
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CC1	REAL300002133797	0	57	0.0	-81.17	417.15	8.26	-72.91
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300002133801	0	46	0.0	-72.53	343.88	9.10	-63.43
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300002133802	0	53	0.0	-66.77	376.87	11.16	-55.61
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300002133802	1	53	0.0	-73.55	378.70	11.19	-62.36
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002133858	0	46	0.0	-53.76	339.54	9.05	-44.71
CC[NH+]1CCN(CCC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300002133860	0	51	0.0	-72.95	364.16	6.63	-66.32
CCN1CC[NH+](CCC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1	REAL300002133860	1	51	0.0	-71.59	364.66	6.67	-64.92
CC(C)C(C(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300002133863	0	52	0.0	-61.30	356.55	9.15	-52.15
C[NH+](C)C(C(=O)N1CCC(C)(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300002133864	1	46	0.0	-61.40	333.61	9.15	-52.25
CC1(C(=O)[O-])CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300002133868	0	51	0.0	-73.41	376.68	7.35	-66.06
CC1(C(=O)[O-])CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300002133868	1	51	0.0	-71.70	376.43	7.26	-64.44
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002133873	1	47	0.0	-63.64	350.75	9.11	-54.53
C[NH+](C)CC1=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)OC2=CC=CC=C21	REAL300002133874	0	49	0.0	-59.27	368.65	9.75	-49.52
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300002133878	0	50	0.0	-64.65	344.36	9.26	-55.39
CC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300002133878	1	50	0.0	-65.69	349.89	9.32	-56.37
CC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)CC1	REAL300002133901	1	51	0.0	-60.27	374.51	10.69	-49.58
CC(C)C(C(=O)N1CCC(C)(C(=O)[O-])CC1)[NH+]1CC(C)OC(C)C1	REAL300002133902	1	56	0.0	-66.38	381.50	8.33	-58.05
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C)(C(=O)[O-])CC3)=CC=C1N2	REAL300002133930	1	51	0.0	-84.55	378.56	9.52	-75.03
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C)(C(=O)[O-])CC3)=CC=C1N2	REAL300002133930	1	51	0.0	-83.60	378.61	9.49	-74.11
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)O1	REAL300002133982	0	49	0.0	-72.63	361.56	9.05	-63.58
CC1=CC=C(N2CCC(C(=O)N3CCC(C)(C(=O)[O-])CC3)CC2)[NH+]=C1	REAL300002133983	1	52	0.0	-70.04	379.45	8.95	-61.09
C[N@H+](CC(=O)N1CCC(C)(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300002133984	1	46	0.0	-72.03	341.93	9.48	-62.55
C[N@@H+](CC(=O)N1CCC(C)(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300002133984	1	46	0.0	-71.69	341.92	9.47	-62.22
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2)CC1	REAL300002133987	0	58	0.0	-77.92	412.11	9.49	-68.43
CC1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300002133998	1	41	0.0	-78.10	322.41	7.06	-71.04
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002134032	0	53	0.0	-69.67	385.29	11.00	-58.67
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C)(C(=O)[O-])CC1	REAL300002134032	1	53	0.0	-74.02	385.46	10.84	-63.18
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300002134050	0	54	0.0	-78.90	407.41	10.46	-68.44
CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300002134068	0	50	0.0	-74.08	367.33	9.46	-64.62
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(C)(C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300002134099	0	52	0.0	-67.20	378.15	9.05	-58.15
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(C)(C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300002134099	1	52	0.0	-72.85	374.95	8.92	-63.93
CC1(C(=O)[O-])CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300002134338	0	54	0.0	-77.50	389.48	11.13	-66.37
CC1(C(=O)[O-])CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300002134338	1	54	0.0	-71.61	391.87	11.10	-60.51
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300002134370	1	53	0.0	-70.23	388.64	11.09	-59.14
CC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300002134370	1	53	0.0	-61.47	388.25	11.07	-50.40
C[N@@H+]1CC(C(=O)N2CCC(C)(C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300002134453	0	43	0.0	-80.06	314.84	7.15	-72.91
C[N@H+]1CC(C(=O)N2CCC(C)(C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300002134453	1	43	0.0	-66.77	323.10	7.37	-59.40
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C)(C(=O)[O-])CC2)=C1	REAL300002134885	0	49	0.0	-75.50	366.53	9.96	-65.54
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C)(C(=O)[O-])CC2)C=C1	REAL300002134891	0	50	0.0	-77.69	373.25	8.88	-68.81
CC1(C(=O)[O-])CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300002134970	0	56	0.0	-72.92	404.97	11.91	-61.01
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2)CCO1	REAL300002134972	1	54	0.0	-82.10	396.37	9.29	-72.81
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(C)(C(=O)[O-])CC3)C=C2)CCO1	REAL300002134972	1	54	0.0	-80.30	397.91	9.30	-71.00
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C)(C(=O)[O-])CC3)=CN21	REAL300002135010	0	41	0.0	-64.78	321.67	9.06	-55.72
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300002135058	0	52	0.0	-73.08	357.08	9.45	-63.63
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300002135058	1	52	0.0	-64.92	356.91	9.57	-55.35
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300002135066	0	52	0.0	-80.79	350.29	8.49	-72.30
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C)(C(=O)[O-])CC2)C1	REAL300002135066	1	52	0.0	-75.07	341.50	8.01	-67.06
O=C([O-])C1=CC=CC(CCNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300002136373	0	53	0.0	-86.59	417.84	11.61	-74.98
O=C([O-])C1=CC=CC(CCNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300002137110	0	50	0.0	-74.26	394.50	10.49	-63.77
O=C([O-])C1=CC=CC(CCNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300002137110	1	50	0.0	-74.27	394.51	10.49	-63.78
O=C([O-])C1=CC=CC(CCNC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)=C1	REAL300002137979	1	50	0.0	-80.58	411.28	11.01	-69.57
O=C([O-])C1=CC=CC(CCNC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)=C1	REAL300002137979	1	50	0.0	-80.47	411.34	11.02	-69.45
O=C([O-])C1=CC=CC(CCNC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300002138060	0	47	0.0	-80.49	366.16	9.24	-71.25
O=C([O-])C1=CC=CC(CCNC(=O)C2CCC[N@@H+]2C2CC2)=C1	REAL300002138091	0	44	0.0	-78.74	343.21	9.03	-69.71
O=C([O-])C1=CC=CC(CCNC(=O)C2CCC[N@H+]2C2CC2)=C1	REAL300002138091	1	44	0.0	-72.65	351.94	8.84	-63.81
CC1=[NH+]C=C2CCC(C(=O)NCCC3=CC=CC(C(=O)[O-])=C3)CN21	REAL300002138097	1	45	0.0	-74.06	364.32	9.12	-64.94
O=C([O-])C1=CC=CC(CCNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=C1	REAL300002138098	0	53	0.0	-82.44	417.48	11.52	-70.92
CC1=NC(C[NH+]2CCC(C(=O)NCCC3=CC=CC(C(=O)[O-])=C3)CC2)=CS1	REAL300002138179	1	52	0.0	-86.24	425.19	9.37	-76.87
CC(C(=O)NCCC1=CC=CC(C(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300002138180	1	48	0.0	-79.90	370.03	6.21	-73.69
C[NH+](C)CCOC1=CC=C(CCC(=O)NCCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300002138267	0	56	0.0	-85.16	450.77	11.13	-74.03
CC1(C(=O)NCCC2=CC=CC(C(=O)[O-])=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002138280	0	56	0.0	-82.16	430.45	12.01	-70.15
O=C([O-])C1=CC=CC(CCNC(=O)C2=CN3C=[NH+]C=C3C=C2)=C1	REAL300002138339	0	38	0.0	-80.64	326.87	9.86	-70.78
C[NH+](C)CC1(C(=O)NCCC2=CC=CC(C(=O)[O-])=C2)CCCCC1	REAL300002138370	0	52	0.0	-77.66	381.08	10.06	-67.60
C[N@H+](CCC(=O)NCCC1=CC=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300002138375	0	52	0.0	-81.05	395.12	9.95	-71.10
C[N@@H+](CCC(=O)NCCC1=CC=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300002138375	1	52	0.0	-81.46	395.12	9.96	-71.50
O=C([O-])C1=CC=CC(CCNC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)=C1	REAL300002138396	1	53	0.0	-78.99	412.38	11.44	-67.55
O=C([O-])C1=CC=CC(CCNC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)=C1	REAL300002138396	1	53	0.0	-81.17	412.33	11.44	-69.73
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C[N@@H+](CCC(=O)NCCCCCCCC(=O)[O-])C1CCCCC1	REAL300002144090	1	57	0.0	-73.66	421.84	10.22	-63.44
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002144112	1	58	0.0	-72.70	439.09	11.69	-61.01
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002144112	1	58	0.0	-72.47	448.48	11.83	-60.64
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002144113	1	55	0.0	-74.65	434.75	11.39	-63.26
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002144113	1	55	0.0	-72.47	427.64	10.80	-61.67
O=C([O-])CCCCCCCNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002144169	0	51	0.0	-76.60	412.59	9.24	-67.36
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300002144197	0	58	0.0	-65.20	420.31	10.39	-54.81
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300002144197	1	58	0.0	-65.27	420.97	10.44	-54.83
O=C([O-])CCCCCCCNC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002144198	0	59	0.0	-77.77	435.15	8.90	-68.87
CC1=[NH+]C=CN1CCCC(=O)NCCCCCCCC(=O)[O-]	REAL300002144230	1	49	0.0	-70.14	394.40	9.53	-60.61
O=C([O-])CCCCCCCNC(=O)CCCC[NH+]1CCOCC1	REAL300002144231	1	55	0.0	-76.85	421.70	8.22	-68.63
CC[N@H+](CC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C1)C(C)C	REAL300002144233	0	60	0.0	-76.73	450.12	11.72	-65.01
CC[N@@H+](CC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C1)C(C)C	REAL300002144233	1	60	0.0	-76.63	440.93	11.29	-65.34
O=C([O-])CCCCCCCNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002144257	0	55	0.0	-73.29	429.13	11.17	-62.12
O=C([O-])CCCCCCCNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002144257	1	55	0.0	-74.49	426.99	11.04	-63.45
O=C([O-])CCCCCCCNC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002144258	0	56	0.0	-80.53	423.25	10.26	-70.27
C[NH+]1CCN(C(C(=O)NCCCCCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300002144286	1	60	0.0	-71.41	456.84	9.91	-61.50
O=C([O-])CCCCCCCNC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002144287	0	59	0.0	-73.02	420.75	8.52	-64.50
CCC(C(=O)NCCCCCCCC(=O)[O-])[NH+](CC)CC	REAL300002144291	0	53	0.0	-64.66	389.60	8.92	-55.74
CC(C(=O)NCCCCCCCC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002144293	0	54	0.0	-70.87	418.39	10.62	-60.25
CC(C(=O)NCCCCCCCC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002144293	1	54	0.0	-71.90	418.21	10.59	-61.31
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002144304	0	61	0.0	-68.84	460.82	12.88	-55.96
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002144304	1	61	0.0	-76.40	467.08	12.68	-63.72
C[NH+](C)CC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=N1	REAL300002144332	0	50	0.0	-77.67	397.39	8.25	-69.42
CCC[NH+](CCC)CCCC(=O)NCCCCCCCC(=O)[O-]	REAL300002144343	0	59	0.0	-73.11	445.99	10.84	-62.27
O=C([O-])CCCCCCCNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300002144344	1	59	0.0	-69.96	451.34	8.56	-61.40
CC[N@H+](C)C(C(=O)NCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300002144345	0	54	0.0	-69.07	410.78	10.57	-58.50
CC[N@@H+](C)C(C(=O)NCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300002144345	1	54	0.0	-67.51	415.95	10.76	-56.75
CC[NH+](CC)C(C(=O)NCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300002144350	0	57	0.0	-68.39	425.11	10.90	-57.49
CC(C)C1=[NH+]C=CN1CC(=O)NCCCCCCCC(=O)[O-]	REAL300002144357	1	49	0.0	-66.65	389.08	9.35	-57.30
C[NH+](C)C(C(=O)NCCCCCCCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002144359	1	51	0.0	-72.58	414.83	10.63	-61.95
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002144373	0	55	0.0	-79.43	425.51	11.18	-68.25
O=C([O-])CCCCCCCNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002144380	0	58	0.0	-74.63	443.15	11.96	-62.67
CCN1CCC([NH+]2CCC(C(=O)NCCCCCCCC(=O)[O-])CC2)CC1	REAL300002144387	0	66	0.0	-76.08	478.30	9.57	-66.51
CC1C[NH+](CC2=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C2)CC(C)O1	REAL300002144394	1	62	0.0	-82.75	476.43	10.99	-71.76
O=C([O-])CCCCCCCNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002144405	1	59	0.0	-82.41	450.99	11.10	-71.31
O=C([O-])CCCCCCCNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002144405	1	59	0.0	-80.38	457.77	11.15	-69.23
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300002144421	0	58	0.0	-68.11	442.12	11.77	-56.34
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300002144421	1	58	0.0	-68.34	432.64	11.62	-56.72
CC1=C(C(=O)NCCCCCCCC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002144423	1	49	0.0	-80.21	397.60	8.47	-71.74
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002144431	0	58	0.0	-79.81	442.84	11.91	-67.90
O=C([O-])CCCCCCCNC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002144443	1	51	0.0	-79.16	406.84	8.71	-70.45
C[NH+](C)CCC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300002144444	0	54	0.0	-81.72	424.08	10.95	-70.77
CNC1=[NH+]C(C)=CC=C1C(=O)NCCCCCCCC(=O)[O-]	REAL300002144455	1	47	0.0	-64.90	372.74	7.68	-57.22
O=C([O-])CCCCCCCNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002144456	1	56	0.0	-81.73	437.55	10.64	-71.09
O=C([O-])CCCCCCCNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002144456	1	56	0.0	-77.17	430.50	10.48	-66.69
CC(C(=O)NCCCCCCCC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002144470	0	64	0.0	-69.67	476.28	12.97	-56.70
CC(C(=O)NCCCCCCCC(=O)[O-])[NH+]1CCSCC1	REAL300002144511	1	49	0.0	-71.25	377.66	8.50	-62.75
C[N@H+](CC(=O)NCCCCCCCC(=O)[O-])CC(C)(C)C	REAL300002144517	0	53	0.0	-70.59	391.27	9.03	-61.56
C[N@@H+](CC(=O)NCCCCCCCC(=O)[O-])CC(C)(C)C	REAL300002144517	1	53	0.0	-70.35	393.22	9.17	-61.18
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCCCCCCC(=O)[O-]	REAL300002144519	0	54	0.0	-74.66	422.57	11.06	-63.60
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCCCCCCC(=O)[O-]	REAL300002144519	1	54	0.0	-74.69	422.57	11.06	-63.63
COCCOCC[N@H+](C)CCC(=O)NCCCCCCCC(=O)[O-]	REAL300002144520	0	58	0.0	-73.73	451.57	7.23	-66.50
COCCOCC[N@@H+](C)CCC(=O)NCCCCCCCC(=O)[O-]	REAL300002144520	1	58	0.0	-74.55	451.61	7.25	-67.30
C[N@@H+]1CCCC(O)(CC(=O)NCCCCCCCC(=O)[O-])C1	REAL300002144524	0	52	0.0	-68.21	384.05	6.78	-61.43
C[N@H+]1CCCC(O)(CC(=O)NCCCCCCCC(=O)[O-])C1	REAL300002144524	1	52	0.0	-67.79	393.74	6.97	-60.82
O=C([O-])CCCCCCCNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002144534	0	63	0.0	-78.51	477.74	10.76	-67.75
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300002144535	1	57	0.0	-72.83	437.13	10.02	-62.81
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300002144535	1	57	0.0	-72.90	427.66	9.88	-63.02
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300002144536	1	57	0.0	-70.28	436.97	9.91	-60.37
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300002144536	1	57	0.0	-70.86	427.55	9.86	-61.00
CCCCCC[N@H+](C)CC(=O)NCCCCCCCC(=O)[O-]	REAL300002144538	0	56	0.0	-71.89	427.16	10.37	-61.52
CCCCCC[N@@H+](C)CC(=O)NCCCCCCCC(=O)[O-]	REAL300002144538	1	56	0.0	-71.93	427.16	10.37	-61.56
O=C([O-])CCCCCCCNC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300002144550	1	43	0.0	-77.18	353.88	10.14	-67.04
C[N@H+](CC(=O)NCCCCCCCC(=O)[O-])C1CCSC1	REAL300002144568	0	49	0.0	-76.04	384.16	8.84	-67.20
C[N@@H+](CC(=O)NCCCCCCCC(=O)[O-])C1CCSC1	REAL300002144568	1	49	0.0	-76.34	382.77	8.84	-67.50
CC(C)[NH+]1CCN(CCC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002144584	0	59	0.0	-72.17	438.78	7.80	-64.37
CC(C)N1CC[NH+](CCC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002144584	1	59	0.0	-73.66	435.10	7.59	-66.07
CC(C)[NH+]1CCN(CCCC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002144585	0	62	0.0	-71.37	460.29	8.60	-62.77
CC(C)N1CC[NH+](CCCC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002144585	1	62	0.0	-74.07	456.60	8.39	-65.68
O=C([O-])CCCCCCCNC(=O)C1CCCC2CCC[N@@H+]21	REAL300002144586	0	52	0.0	-64.05	388.02	9.45	-54.60
O=C([O-])CCCCCCCNC(=O)C1CCCC2CCC[N@H+]21	REAL300002144586	1	52	0.0	-64.22	387.98	9.45	-54.77
C[NH+](C)CCN1C=C(C(=O)NCCCCCCCC(=O)[O-])C=N1	REAL300002144588	0	51	0.0	-80.55	407.75	8.12	-72.43
CC1=CC=CC(N2CC[NH+](CCC(=O)NCCCCCCCC(=O)[O-])CC2)=C1	REAL300002144595	0	63	0.0	-78.11	477.64	10.62	-67.49
O=C([O-])CCCCCCCNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002144597	0	60	0.0	-78.16	456.23	9.96	-68.20
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002144600	0	57	0.0	-76.34	439.51	10.05	-66.29
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002144600	1	57	0.0	-71.85	433.13	10.15	-61.70
CC(C(=O)NCCCCCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002144605	1	55	0.0	-71.22	418.46	11.18	-60.04
CC(C(=O)NCCCCCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002144605	1	55	0.0	-71.25	418.48	11.19	-60.06
CCC(CC)C(C(=O)NCCCCCCCC(=O)[O-])[NH+]1CCOCC1	REAL300002144624	1	61	0.0	-67.00	434.12	9.48	-57.52
O=C([O-])CCCCCCCNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002144633	0	58	0.0	-76.59	446.51	11.77	-64.82
O=C([O-])CCCCCCCNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002144633	1	58	0.0	-77.28	448.25	11.85	-65.43
C[NH+](C)CCN1C=CC(C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300002144648	0	51	0.0	-83.49	408.12	8.13	-75.36
C[NH+](C)CCN1N=CC=C1C(=O)NCCCCCCCC(=O)[O-]	REAL300002144649	0	51	0.0	-69.28	403.21	8.08	-61.20
CCC1=[NH+]C=CN1C(C)CC(=O)NCCCCCCCC(=O)[O-]	REAL300002144655	1	52	0.0	-66.76	409.38	9.82	-56.94
CC1C[N@H+](C)CC(C(=O)NCCCCCCCC(=O)[O-])O1	REAL300002144666	1	49	0.0	-74.08	374.92	7.65	-66.43
CC1C[N@@H+](C)CC(C(=O)NCCCCCCCC(=O)[O-])O1	REAL300002144666	1	49	0.0	-74.16	374.88	7.66	-66.50
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002144672	0	58	0.0	-76.34	450.98	11.88	-64.46
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002144672	1	58	0.0	-71.31	444.68	12.07	-59.24
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300002144673	1	54	0.0	-66.22	424.34	9.68	-56.54
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300002144673	1	54	0.0	-72.09	421.52	9.43	-62.66
CC(C[NH+]1CCOCC1)C(=O)NCCCCCCCC(=O)[O-]	REAL300002144678	0	52	0.0	-68.03	394.13	7.48	-60.55
O=C([O-])CCCCCCCNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002144679	0	59	0.0	-77.83	453.96	9.37	-68.46
CC[N@@H+]1CCOC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002144701	1	49	0.0	-72.84	371.47	7.58	-65.26
CC[N@H+]1CCOC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002144701	1	49	0.0	-72.85	371.47	7.57	-65.28
CN1C=CN=C1C[NH+]1CCC(C(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002144734	1	58	0.0	-82.82	440.96	10.06	-72.76
O=C([O-])CCCCCCCNC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002144735	0	58	0.0	-71.71	428.09	10.50	-61.21
O=C([O-])CCCCCCCNC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002144735	1	58	0.0	-71.62	428.07	10.50	-61.12
O=C([O-])CCCCCCCNC(=O)C12CCC[NH+](CCC1)C2	REAL300002144754	0	52	0.0	-72.54	380.82	8.82	-63.72
C[N@@H+]1CC(O)CC1(C)C(=O)NCCCCCCCC(=O)[O-]	REAL300002144758	0	49	0.0	-75.92	370.96	4.98	-70.94
C[N@H+]1CC(O)CC1(C)C(=O)NCCCCCCCC(=O)[O-]	REAL300002144758	1	49	0.0	-74.89	369.05	5.18	-69.71
O=C([O-])CCCCCCCNC(=O)C1CCC2CCCC[N@@H+]21	REAL300002144759	0	52	0.0	-65.44	391.31	9.57	-55.87
O=C([O-])CCCCCCCNC(=O)C1CCC2CCCC[N@H+]21	REAL300002144759	1	52	0.0	-65.50	391.28	9.56	-55.94
CC(C)(C[NH+]1CCOCC1)C(=O)NCCCCCCCC(=O)[O-]	REAL300002144767	0	55	0.0	-69.47	404.23	7.71	-61.76
CC(C)[N@@H+]1CCC(C(=O)NCCCCCCCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002144772	0	64	0.0	-75.60	473.30	10.35	-65.25
CC(C)[N@H+]1CCC(C(=O)NCCCCCCCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002144772	1	64	0.0	-74.88	466.17	9.87	-65.01
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCCCCCCCC(=O)[O-])C=N1	REAL300002144773	0	58	0.0	-78.66	431.35	8.76	-69.90
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCCCCCCCC(=O)[O-])C=N1	REAL300002144773	1	58	0.0	-82.50	439.82	9.00	-73.50
C[NH+]1CCN(CC2=CC=CC(C(=O)NCCCCCCCC(=O)[O-])=C2)CC1	REAL300002144778	0	60	0.0	-73.85	460.27	9.53	-64.32
C[NH+]1CCN(CC2=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C2)CC1	REAL300002144779	0	60	0.0	-77.88	459.33	9.35	-68.53
CN1CC[NH+](CC2=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C2)CC1	REAL300002144779	1	60	0.0	-80.76	459.66	9.41	-71.35
CC[NH+](CC)CCOC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300002144780	0	61	0.0	-77.45	466.58	11.23	-66.22
CC(C)[NH+]1CCC(C(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002144787	0	54	0.0	-73.06	398.68	9.24	-63.82
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002144906	0	62	0.0	-82.66	474.82	9.27	-73.39
C[NH+](C)CC1=CC=CC(C(=O)NCCCCCCCC(=O)[O-])=C1	REAL300002144910	0	51	0.0	-75.86	401.59	10.11	-65.75
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002144911	0	58	0.0	-69.04	438.33	12.01	-57.03
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002144911	1	58	0.0	-72.35	444.53	11.81	-60.54
C#CC[NH+]1CCC(C(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002144979	0	50	0.0	-76.75	393.21	9.49	-67.26
CCC[N@@H+]1CCCCC1C(=O)NCCCCCCCC(=O)[O-]	REAL300002144981	0	54	0.0	-66.88	404.73	9.60	-57.28
CCC[N@H+]1CCCCC1C(=O)NCCCCCCCC(=O)[O-]	REAL300002144981	1	54	0.0	-66.84	404.71	9.60	-57.24
C[NH+](C)CC1=CC=CC=C1C(=O)NCCCCCCCC(=O)[O-]	REAL300002144983	0	51	0.0	-63.16	394.26	10.33	-52.83
CC[NH+]1CCN(CCC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002144985	0	56	0.0	-74.22	420.88	7.12	-67.10
CCN1CC[NH+](CCC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002144985	1	56	0.0	-73.63	422.04	7.27	-66.36
CC(C)C(C(=O)NCCCCCCCC(=O)[O-])[NH+]1CCCCC1	REAL300002144987	0	57	0.0	-65.24	409.07	10.60	-54.64
C[NH+](C)C(C(=O)NCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300002144988	1	51	0.0	-68.73	398.12	10.12	-58.61
O=C([O-])CCCCCCCNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300002144992	0	56	0.0	-71.74	436.81	8.03	-63.71
O=C([O-])CCCCCCCNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002144992	1	56	0.0	-71.62	436.64	8.03	-63.59
CC(C)C1=[NH+]C=CN1CCC(=O)NCCCCCCCC(=O)[O-]	REAL300002144998	1	52	0.0	-66.56	408.87	9.78	-56.78
C[NH+](C)CC1=C(C(=O)NCCCCCCCC(=O)[O-])OC2=CC=CC=C21	REAL300002144999	0	54	0.0	-67.65	428.75	10.46	-57.19
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300002145004	0	55	0.0	-69.46	399.46	9.98	-59.48
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+]1C1CCCC1	REAL300002145004	1	55	0.0	-67.99	409.40	10.01	-57.98
CC(C)C(C(=O)NCCCCCCCC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300002145032	1	61	0.0	-68.14	449.34	9.62	-58.52
CC(C(=O)NCCCCCCCC(=O)[O-])[NH+]1CCCCCC1	REAL300002145033	0	54	0.0	-67.44	394.53	9.40	-58.04
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCCCCCCCC(=O)[O-])=CC=C1N2	REAL300002145068	1	56	0.0	-80.33	436.38	10.55	-69.78
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCCCCCCCC(=O)[O-])=CC=C1N2	REAL300002145068	1	56	0.0	-80.19	436.59	10.51	-69.68
CC[NH+](CC)CC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])O1	REAL300002145126	0	54	0.0	-75.77	423.63	9.81	-65.96
O=C([O-])CCCCCCCNC(=O)CCCC[NH+]1CCCC1	REAL300002145127	0	54	0.0	-73.57	414.76	9.94	-63.63
CC1=CC=C(N2CCC(C(=O)NCCCCCCCC(=O)[O-])CC2)[NH+]=C1	REAL300002145129	1	57	0.0	-71.00	437.46	9.70	-61.30
C[N@H+](CC(=O)NCCCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300002145130	1	51	0.0	-74.86	400.09	10.21	-64.65
C[N@@H+](CC(=O)NCCCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300002145130	1	51	0.0	-74.85	400.10	10.21	-64.64
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C2)CC1	REAL300002145134	0	63	0.0	-79.02	469.60	10.47	-68.55
O=C([O-])CCCCCCCNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300002145149	1	46	0.0	-79.51	382.73	8.06	-71.45
C[NH+](C)CC1=CC(C(=O)NCCCCCCCC(=O)[O-])=NO1	REAL300002145178	1	47	0.0	-80.42	381.54	7.59	-72.83
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCCCCCCCC(=O)[O-]	REAL300002145183	0	58	0.0	-78.51	448.14	11.59	-66.92
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCCCCCCCC(=O)[O-]	REAL300002145183	1	58	0.0	-74.62	445.64	11.71	-62.91
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300002145207	0	59	0.0	-79.47	465.93	11.08	-68.39
C[NH+]1CCC(OCC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002145224	0	52	0.0	-78.79	403.39	8.71	-70.08
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002145230	0	55	0.0	-77.63	429.59	10.31	-67.32
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCCCCCCCC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300002145271	0	57	0.0	-75.61	437.42	9.84	-65.77
CC(C)(C)[N@H+]1C[C@H](C(=O)NCCCCCCCC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300002145271	1	57	0.0	-71.78	436.32	9.90	-61.88
CCC[N@@H+]1CCCC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002145414	0	54	0.0	-65.45	400.92	9.84	-55.61
CCC[N@H+]1CCCC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002145414	1	54	0.0	-71.16	407.18	9.64	-61.52
CC(C)C[N@@H+]1CCCC1C(=O)NCCCCCCCC(=O)[O-]	REAL300002145447	0	54	0.0	-67.36	408.37	9.79	-57.57
CC(C)C[N@H+]1CCCC1C(=O)NCCCCCCCC(=O)[O-]	REAL300002145447	1	54	0.0	-67.63	408.07	9.82	-57.81
O=C([O-])CCCCCCCNC(=O)C[NH+]1CCC(CO)CC1	REAL300002145448	0	52	0.0	-72.16	397.22	5.80	-66.36
O=C([O-])CCCCCCCNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300002145545	0	59	0.0	-76.46	452.34	12.11	-64.35
O=C([O-])CCCCCCCNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300002145545	1	59	0.0	-79.67	454.18	12.04	-67.63
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300002145583	1	58	0.0	-69.59	448.53	11.84	-57.75
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300002145583	1	58	0.0	-70.13	439.04	11.69	-58.44
CC(C)[N@@H+]1CCCC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002145671	0	54	0.0	-64.54	396.07	9.61	-54.93
CC(C)[N@H+]1CCCC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002145671	1	54	0.0	-69.40	402.34	9.41	-59.99
C[N@@H+]1CC(C(=O)NCCCCCCCC(=O)[O-])C(C(F)(F)F)C1	REAL300002145672	0	48	0.0	-78.22	377.83	8.34	-69.88
C[N@H+]1CC(C(=O)NCCCCCCCC(=O)[O-])C(C(F)(F)F)C1	REAL300002145672	1	48	0.0	-77.28	379.72	8.44	-68.84
CC1=C(C)[NH+]=C(CCC(=O)NCCCCCCCC(=O)[O-])N1	REAL300002145698	1	49	0.0	-67.22	393.67	7.91	-59.31
C[NH+](C)CCC1=CC=CC(C(=O)NCCCCCCCC(=O)[O-])=C1	REAL300002146177	0	54	0.0	-77.22	424.08	10.94	-66.28
C[NH+](C)CCOC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300002146184	0	55	0.0	-79.59	431.37	9.90	-69.69
O=C([O-])CCCCCCCNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002146273	0	61	0.0	-72.64	463.14	12.56	-60.08
CC1C[N@H+](CC2=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C2)CCO1	REAL300002146275	1	59	0.0	-82.16	448.94	10.28	-71.88
CC1C[N@@H+](CC2=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C2)CCO1	REAL300002146275	1	59	0.0	-82.26	449.00	10.28	-71.98
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002146320	0	54	0.0	-68.86	395.72	9.31	-59.55
CC(C)C[N@@H+]1CCCC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002146387	0	57	0.0	-65.71	418.36	10.52	-55.19
CC(C)C[N@H+]1CCCC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002146387	1	57	0.0	-65.71	418.36	10.52	-55.19
CN(C)CC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])O1	REAL300002146393	0	48	0.0	-78.84	388.01	8.43	-70.41
C[NH+](C)CC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])O1	REAL300002146393	1	48	0.0	-78.84	388.01	8.43	-70.41
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002146399	0	57	0.0	-74.38	413.43	9.74	-64.64
C[N@H+]1CCCC(C(C)(C)C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002146399	1	57	0.0	-74.38	413.43	9.74	-64.64
O=C([O-])CCCCCCCNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002146402	0	50	0.0	-70.32	381.47	9.94	-60.38
O=C([O-])CCCCCCCNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002147715	0	58	0.0	-78.52	444.24	11.80	-66.72
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300002148460	0	55	0.0	-69.94	428.55	11.31	-58.63
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300002148460	1	55	0.0	-68.39	421.33	10.75	-57.64
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300002149308	1	55	0.0	-73.69	445.07	11.84	-61.85
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300002149308	1	55	0.0	-71.61	437.96	11.26	-60.35
O=C([O-])CCCCCCCNC(=O)C1CC[NH+](C2CC2)CC1	REAL300002149384	0	52	0.0	-73.20	392.88	9.49	-63.71
CC1=[NH+]C=C2CCC(C(=O)NCCCCCCCC(=O)[O-])CN21	REAL300002149417	1	50	0.0	-66.59	391.07	9.37	-57.22
O=C([O-])CCCCCCCNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300002149418	0	58	0.0	-69.59	439.07	11.30	-58.29
CC1=NC(C[NH+]2CCC(C(=O)NCCCCCCCC(=O)[O-])CC2)=CS1	REAL300002149492	1	57	0.0	-77.62	451.97	9.62	-68.00
CC(C(=O)NCCCCCCCC(=O)[O-])N1CC[NH+](C)CC1	REAL300002149493	1	53	0.0	-72.62	396.76	6.46	-66.16
C[NH+](C)CCOC1=CC=C(CCC(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300002149578	0	61	0.0	-77.29	477.50	11.37	-65.92
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCCCCCCC(=O)[O-])=C1	REAL300002149590	0	61	0.0	-79.70	478.29	13.69	-66.01
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCCCCCCC(=O)[O-])=C1	REAL300002149590	1	61	0.0	-79.19	478.30	13.70	-65.49
CC1(C(=O)NCCCCCCCC(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300002149592	0	61	0.0	-71.24	457.18	12.27	-58.97
O=C([O-])CCCCCCCNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002149651	0	43	0.0	-73.03	353.60	10.11	-62.92
C[NH+](C)CC1(C(=O)NCCCCCCCC(=O)[O-])CCCCC1	REAL300002149681	0	57	0.0	-72.46	411.92	9.99	-62.47
C[N@H+](CCC(=O)NCCCCCCCC(=O)[O-])C1CCCCC1	REAL300002149685	0	57	0.0	-73.69	421.84	10.20	-63.49
C[N@@H+](CCC(=O)NCCCCCCCC(=O)[O-])C1CCCCC1	REAL300002149685	1	57	0.0	-73.66	421.84	10.22	-63.44
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002149707	1	58	0.0	-72.70	439.09	11.69	-61.01
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002149707	1	58	0.0	-72.47	448.48	11.83	-60.64
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002149708	1	55	0.0	-74.65	434.75	11.39	-63.26
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002149708	1	55	0.0	-72.47	427.64	10.80	-61.67
O=C([O-])CCCCCCCNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002149764	0	51	0.0	-76.60	412.59	9.24	-67.36
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300002149792	0	58	0.0	-65.20	420.31	10.39	-54.81
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300002149792	1	58	0.0	-65.27	420.97	10.44	-54.83
O=C([O-])CCCCCCCNC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002149793	0	59	0.0	-77.77	435.15	8.90	-68.87
CC1=[NH+]C=CN1CCCC(=O)NCCCCCCCC(=O)[O-]	REAL300002149825	1	49	0.0	-70.14	394.40	9.53	-60.61
O=C([O-])CCCCCCCNC(=O)CCCC[NH+]1CCOCC1	REAL300002149826	1	55	0.0	-76.85	421.70	8.22	-68.63
CC[N@H+](CC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C1)C(C)C	REAL300002149828	0	60	0.0	-76.73	450.12	11.72	-65.01
CC[N@@H+](CC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C1)C(C)C	REAL300002149828	1	60	0.0	-76.63	440.93	11.29	-65.34
O=C([O-])CCCCCCCNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002149852	0	55	0.0	-73.29	429.13	11.17	-62.12
O=C([O-])CCCCCCCNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002149852	1	55	0.0	-74.49	426.99	11.04	-63.45
O=C([O-])CCCCCCCNC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002149853	0	56	0.0	-80.53	423.25	10.26	-70.27
C[NH+]1CCN(C(C(=O)NCCCCCCCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300002149881	1	60	0.0	-71.41	456.84	9.91	-61.50
O=C([O-])CCCCCCCNC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002149882	0	59	0.0	-73.02	420.75	8.52	-64.50
CCC(C(=O)NCCCCCCCC(=O)[O-])[NH+](CC)CC	REAL300002149886	0	53	0.0	-64.66	389.60	8.92	-55.74
CC(C(=O)NCCCCCCCC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002149888	0	54	0.0	-70.87	418.39	10.62	-60.25
CC(C(=O)NCCCCCCCC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002149888	1	54	0.0	-71.90	418.21	10.59	-61.31
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002149899	0	61	0.0	-68.84	460.82	12.88	-55.96
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002149899	1	61	0.0	-76.40	467.08	12.68	-63.72
C[NH+](C)CC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=N1	REAL300002149927	0	50	0.0	-77.67	397.39	8.25	-69.42
CCC[NH+](CCC)CCCC(=O)NCCCCCCCC(=O)[O-]	REAL300002149938	0	59	0.0	-73.11	445.99	10.84	-62.27
O=C([O-])CCCCCCCNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300002149939	1	59	0.0	-69.96	451.34	8.56	-61.40
CC[N@H+](C)C(C(=O)NCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300002149940	0	54	0.0	-69.07	410.78	10.57	-58.50
CC[N@@H+](C)C(C(=O)NCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300002149940	1	54	0.0	-67.51	415.95	10.76	-56.75
CC[NH+](CC)C(C(=O)NCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300002149945	0	57	0.0	-68.39	425.11	10.90	-57.49
CC(C)C1=[NH+]C=CN1CC(=O)NCCCCCCCC(=O)[O-]	REAL300002149952	1	49	0.0	-66.65	389.08	9.35	-57.30
C[NH+](C)C(C(=O)NCCCCCCCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002149954	1	51	0.0	-72.58	414.83	10.63	-61.95
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002149968	0	55	0.0	-79.43	425.51	11.18	-68.25
O=C([O-])CCCCCCCNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002149975	0	58	0.0	-74.63	443.15	11.96	-62.67
CCN1CCC([NH+]2CCC(C(=O)NCCCCCCCC(=O)[O-])CC2)CC1	REAL300002149982	0	66	0.0	-76.08	478.30	9.57	-66.51
CC1C[NH+](CC2=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C2)CC(C)O1	REAL300002149989	1	62	0.0	-82.75	476.43	10.99	-71.76
O=C([O-])CCCCCCCNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002150000	1	59	0.0	-82.41	450.99	11.10	-71.31
O=C([O-])CCCCCCCNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002150000	1	59	0.0	-80.38	457.77	11.15	-69.23
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300002150016	0	58	0.0	-68.11	442.12	11.77	-56.34
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300002150016	1	58	0.0	-68.34	432.64	11.62	-56.72
CC1=C(C(=O)NCCCCCCCC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002150018	1	49	0.0	-80.21	397.60	8.47	-71.74
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002150026	0	58	0.0	-79.81	442.84	11.91	-67.90
O=C([O-])CCCCCCCNC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002150038	1	51	0.0	-79.16	406.84	8.71	-70.45
C[NH+](C)CCC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300002150039	0	54	0.0	-81.72	424.08	10.95	-70.77
CNC1=[NH+]C(C)=CC=C1C(=O)NCCCCCCCC(=O)[O-]	REAL300002150050	1	47	0.0	-64.90	372.74	7.68	-57.22
O=C([O-])CCCCCCCNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002150051	1	56	0.0	-81.73	437.55	10.64	-71.09
O=C([O-])CCCCCCCNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002150051	1	56	0.0	-77.17	430.50	10.48	-66.69
CC(C(=O)NCCCCCCCC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002150065	0	64	0.0	-69.67	476.28	12.97	-56.70
CC(C(=O)NCCCCCCCC(=O)[O-])[NH+]1CCSCC1	REAL300002150106	1	49	0.0	-71.25	377.66	8.50	-62.75
C[N@H+](CC(=O)NCCCCCCCC(=O)[O-])CC(C)(C)C	REAL300002150112	0	53	0.0	-70.59	391.27	9.03	-61.56
C[N@@H+](CC(=O)NCCCCCCCC(=O)[O-])CC(C)(C)C	REAL300002150112	1	53	0.0	-70.35	393.22	9.17	-61.18
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCCCCCCC(=O)[O-]	REAL300002150114	0	54	0.0	-74.66	422.57	11.06	-63.60
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCCCCCCC(=O)[O-]	REAL300002150114	1	54	0.0	-74.69	422.57	11.06	-63.63
COCCOCC[N@H+](C)CCC(=O)NCCCCCCCC(=O)[O-]	REAL300002150115	0	58	0.0	-73.73	451.57	7.23	-66.50
COCCOCC[N@@H+](C)CCC(=O)NCCCCCCCC(=O)[O-]	REAL300002150115	1	58	0.0	-74.55	451.61	7.25	-67.30
C[N@@H+]1CCCC(O)(CC(=O)NCCCCCCCC(=O)[O-])C1	REAL300002150119	0	52	0.0	-68.21	384.05	6.78	-61.43
C[N@H+]1CCCC(O)(CC(=O)NCCCCCCCC(=O)[O-])C1	REAL300002150119	1	52	0.0	-67.79	393.74	6.97	-60.82
O=C([O-])CCCCCCCNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002150129	0	63	0.0	-78.51	477.74	10.76	-67.75
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300002150130	1	57	0.0	-72.83	437.13	10.02	-62.81
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300002150130	1	57	0.0	-72.90	427.66	9.88	-63.02
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300002150131	1	57	0.0	-70.28	436.97	9.91	-60.37
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300002150131	1	57	0.0	-70.86	427.55	9.86	-61.00
CCCCCC[N@H+](C)CC(=O)NCCCCCCCC(=O)[O-]	REAL300002150133	0	56	0.0	-71.89	427.16	10.37	-61.52
CCCCCC[N@@H+](C)CC(=O)NCCCCCCCC(=O)[O-]	REAL300002150133	1	56	0.0	-71.93	427.16	10.37	-61.56
O=C([O-])CCCCCCCNC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300002150145	1	43	0.0	-77.18	353.88	10.14	-67.04
C[N@H+](CC(=O)NCCCCCCCC(=O)[O-])C1CCSC1	REAL300002150163	0	49	0.0	-76.04	384.16	8.84	-67.20
C[N@@H+](CC(=O)NCCCCCCCC(=O)[O-])C1CCSC1	REAL300002150163	1	49	0.0	-76.34	382.77	8.84	-67.50
CC(C)[NH+]1CCN(CCC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002150179	0	59	0.0	-72.17	438.78	7.80	-64.37
CC(C)N1CC[NH+](CCC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002150179	1	59	0.0	-73.66	435.10	7.59	-66.07
CC(C)[NH+]1CCN(CCCC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002150180	0	62	0.0	-71.37	460.29	8.60	-62.77
CC(C)N1CC[NH+](CCCC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002150180	1	62	0.0	-74.07	456.60	8.39	-65.68
O=C([O-])CCCCCCCNC(=O)C1CCCC2CCC[N@@H+]21	REAL300002150181	0	52	0.0	-64.05	388.02	9.45	-54.60
O=C([O-])CCCCCCCNC(=O)C1CCCC2CCC[N@H+]21	REAL300002150181	1	52	0.0	-64.22	387.98	9.45	-54.77
C[NH+](C)CCN1C=C(C(=O)NCCCCCCCC(=O)[O-])C=N1	REAL300002150183	0	51	0.0	-80.55	407.75	8.12	-72.43
CC1=CC=CC(N2CC[NH+](CCC(=O)NCCCCCCCC(=O)[O-])CC2)=C1	REAL300002150190	0	63	0.0	-78.11	477.64	10.62	-67.49
O=C([O-])CCCCCCCNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002150192	0	60	0.0	-78.16	456.23	9.96	-68.20
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002150195	0	57	0.0	-76.34	439.51	10.05	-66.29
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002150195	1	57	0.0	-71.85	433.13	10.15	-61.70
CC(C(=O)NCCCCCCCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002150200	1	55	0.0	-71.22	418.46	11.18	-60.04
CC(C(=O)NCCCCCCCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002150200	1	55	0.0	-71.25	418.48	11.19	-60.06
CCC(CC)C(C(=O)NCCCCCCCC(=O)[O-])[NH+]1CCOCC1	REAL300002150219	1	61	0.0	-67.00	434.12	9.48	-57.52
O=C([O-])CCCCCCCNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002150228	0	58	0.0	-76.59	446.51	11.77	-64.82
O=C([O-])CCCCCCCNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002150228	1	58	0.0	-77.28	448.25	11.85	-65.43
C[NH+](C)CCN1C=CC(C(=O)NCCCCCCCC(=O)[O-])=N1	REAL300002150243	0	51	0.0	-83.49	408.12	8.13	-75.36
C[NH+](C)CCN1N=CC=C1C(=O)NCCCCCCCC(=O)[O-]	REAL300002150244	0	51	0.0	-69.28	403.21	8.08	-61.20
CCC1=[NH+]C=CN1C(C)CC(=O)NCCCCCCCC(=O)[O-]	REAL300002150250	1	52	0.0	-66.76	409.38	9.82	-56.94
CC1C[N@H+](C)CC(C(=O)NCCCCCCCC(=O)[O-])O1	REAL300002150261	1	49	0.0	-74.08	374.92	7.65	-66.43
CC1C[N@@H+](C)CC(C(=O)NCCCCCCCC(=O)[O-])O1	REAL300002150261	1	49	0.0	-74.16	374.88	7.66	-66.50
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002150267	0	58	0.0	-76.34	450.98	11.88	-64.46
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002150267	1	58	0.0	-71.31	444.68	12.07	-59.24
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300002150268	1	54	0.0	-66.22	424.34	9.68	-56.54
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300002150268	1	54	0.0	-72.09	421.52	9.43	-62.66
CC(C[NH+]1CCOCC1)C(=O)NCCCCCCCC(=O)[O-]	REAL300002150273	0	52	0.0	-68.03	394.13	7.48	-60.55
O=C([O-])CCCCCCCNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002150274	0	59	0.0	-77.83	453.96	9.37	-68.46
CC[N@@H+]1CCOC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002150296	1	49	0.0	-72.84	371.47	7.58	-65.26
CC[N@H+]1CCOC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002150296	1	49	0.0	-72.85	371.47	7.57	-65.28
CN1C=CN=C1C[NH+]1CCC(C(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002150329	1	58	0.0	-82.82	440.96	10.06	-72.76
O=C([O-])CCCCCCCNC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002150330	0	58	0.0	-71.71	428.09	10.50	-61.21
O=C([O-])CCCCCCCNC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002150330	1	58	0.0	-71.62	428.07	10.50	-61.12
O=C([O-])CCCCCCCNC(=O)C12CCC[NH+](CCC1)C2	REAL300002150349	0	52	0.0	-72.54	380.82	8.82	-63.72
C[N@@H+]1CC(O)CC1(C)C(=O)NCCCCCCCC(=O)[O-]	REAL300002150353	0	49	0.0	-75.92	370.96	4.98	-70.94
C[N@H+]1CC(O)CC1(C)C(=O)NCCCCCCCC(=O)[O-]	REAL300002150353	1	49	0.0	-74.89	369.05	5.18	-69.71
O=C([O-])CCCCCCCNC(=O)C1CCC2CCCC[N@@H+]21	REAL300002150354	0	52	0.0	-65.44	391.31	9.57	-55.87
O=C([O-])CCCCCCCNC(=O)C1CCC2CCCC[N@H+]21	REAL300002150354	1	52	0.0	-65.50	391.28	9.56	-55.94
CC(C)(C[NH+]1CCOCC1)C(=O)NCCCCCCCC(=O)[O-]	REAL300002150362	0	55	0.0	-69.47	404.23	7.71	-61.76
CC(C)[N@@H+]1CCC(C(=O)NCCCCCCCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002150367	0	64	0.0	-75.60	473.30	10.35	-65.25
CC(C)[N@H+]1CCC(C(=O)NCCCCCCCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002150367	1	64	0.0	-74.88	466.17	9.87	-65.01
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCCCCCCCC(=O)[O-])C=N1	REAL300002150368	0	58	0.0	-78.66	431.35	8.76	-69.90
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCCCCCCCC(=O)[O-])C=N1	REAL300002150368	1	58	0.0	-82.50	439.82	9.00	-73.50
C[NH+]1CCN(CC2=CC=CC(C(=O)NCCCCCCCC(=O)[O-])=C2)CC1	REAL300002150373	0	60	0.0	-73.85	460.27	9.53	-64.32
C[NH+]1CCN(CC2=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C2)CC1	REAL300002150374	0	60	0.0	-77.88	459.33	9.35	-68.53
CN1CC[NH+](CC2=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C2)CC1	REAL300002150374	1	60	0.0	-80.76	459.66	9.41	-71.35
CC[NH+](CC)CCOC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300002150375	0	61	0.0	-77.45	466.58	11.23	-66.22
CC(C)[NH+]1CCC(C(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002150382	0	54	0.0	-73.06	398.68	9.24	-63.82
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002150501	0	62	0.0	-82.66	474.82	9.27	-73.39
C[NH+](C)CC1=CC=CC(C(=O)NCCCCCCCC(=O)[O-])=C1	REAL300002150505	0	51	0.0	-75.86	401.59	10.11	-65.75
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002150506	0	58	0.0	-69.04	438.33	12.01	-57.03
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002150506	1	58	0.0	-72.35	444.53	11.81	-60.54
C#CC[NH+]1CCC(C(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002150574	0	50	0.0	-76.75	393.21	9.49	-67.26
CCC[N@@H+]1CCCCC1C(=O)NCCCCCCCC(=O)[O-]	REAL300002150576	0	54	0.0	-66.88	404.73	9.60	-57.28
CCC[N@H+]1CCCCC1C(=O)NCCCCCCCC(=O)[O-]	REAL300002150576	1	54	0.0	-66.84	404.71	9.60	-57.24
C[NH+](C)CC1=CC=CC=C1C(=O)NCCCCCCCC(=O)[O-]	REAL300002150578	0	51	0.0	-63.16	394.26	10.33	-52.83
CC[NH+]1CCN(CCC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002150580	0	56	0.0	-74.22	420.88	7.12	-67.10
CCN1CC[NH+](CCC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002150580	1	56	0.0	-73.63	422.04	7.27	-66.36
CC(C)C(C(=O)NCCCCCCCC(=O)[O-])[NH+]1CCCCC1	REAL300002150582	0	57	0.0	-65.24	409.07	10.60	-54.64
C[NH+](C)C(C(=O)NCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300002150583	1	51	0.0	-68.73	398.12	10.12	-58.61
O=C([O-])CCCCCCCNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300002150587	0	56	0.0	-71.74	436.81	8.03	-63.71
O=C([O-])CCCCCCCNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002150587	1	56	0.0	-71.62	436.64	8.03	-63.59
CC(C)C1=[NH+]C=CN1CCC(=O)NCCCCCCCC(=O)[O-]	REAL300002150593	1	52	0.0	-66.56	408.87	9.78	-56.78
C[NH+](C)CC1=C(C(=O)NCCCCCCCC(=O)[O-])OC2=CC=CC=C21	REAL300002150594	0	54	0.0	-67.65	428.75	10.46	-57.19
O=C([O-])CCCCCCCNC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300002150599	0	55	0.0	-69.46	399.46	9.98	-59.48
O=C([O-])CCCCCCCNC(=O)C1CCC[N@H+]1C1CCCC1	REAL300002150599	1	55	0.0	-67.99	409.40	10.01	-57.98
CC(C)C(C(=O)NCCCCCCCC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300002150627	1	61	0.0	-68.14	449.34	9.62	-58.52
CC(C(=O)NCCCCCCCC(=O)[O-])[NH+]1CCCCCC1	REAL300002150628	0	54	0.0	-67.44	394.53	9.40	-58.04
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCCCCCCCC(=O)[O-])=CC=C1N2	REAL300002150663	1	56	0.0	-80.33	436.38	10.55	-69.78
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCCCCCCCC(=O)[O-])=CC=C1N2	REAL300002150663	1	56	0.0	-80.19	436.59	10.51	-69.68
CC[NH+](CC)CC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])O1	REAL300002150721	0	54	0.0	-75.77	423.63	9.81	-65.96
O=C([O-])CCCCCCCNC(=O)CCCC[NH+]1CCCC1	REAL300002150722	0	54	0.0	-73.57	414.76	9.94	-63.63
CC1=CC=C(N2CCC(C(=O)NCCCCCCCC(=O)[O-])CC2)[NH+]=C1	REAL300002150724	1	57	0.0	-71.00	437.46	9.70	-61.30
C[N@H+](CC(=O)NCCCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300002150725	1	51	0.0	-74.86	400.09	10.21	-64.65
C[N@@H+](CC(=O)NCCCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300002150725	1	51	0.0	-74.85	400.10	10.21	-64.64
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C2)CC1	REAL300002150729	0	63	0.0	-79.02	469.60	10.47	-68.55
O=C([O-])CCCCCCCNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300002150744	1	46	0.0	-79.51	382.73	8.06	-71.45
C[NH+](C)CC1=CC(C(=O)NCCCCCCCC(=O)[O-])=NO1	REAL300002150773	1	47	0.0	-80.42	381.54	7.59	-72.83
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCCCCCCCC(=O)[O-]	REAL300002150778	0	58	0.0	-78.51	448.14	11.59	-66.92
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCCCCCCCC(=O)[O-]	REAL300002150778	1	58	0.0	-74.62	445.64	11.71	-62.91
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300002150802	0	59	0.0	-79.47	465.93	11.08	-68.39
C[NH+]1CCC(OCC(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002150819	0	52	0.0	-78.79	403.39	8.71	-70.08
O=C([O-])CCCCCCCNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002150825	0	55	0.0	-77.63	429.59	10.31	-67.32
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCCCCCCCC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300002150866	0	57	0.0	-75.61	437.42	9.84	-65.77
CC(C)(C)[N@H+]1C[C@H](C(=O)NCCCCCCCC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300002150866	1	57	0.0	-71.78	436.32	9.90	-61.88
CCC[N@@H+]1CCCC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002151009	0	54	0.0	-65.45	400.92	9.84	-55.61
CCC[N@H+]1CCCC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002151009	1	54	0.0	-71.16	407.18	9.64	-61.52
CC(C)C[N@@H+]1CCCC1C(=O)NCCCCCCCC(=O)[O-]	REAL300002151042	0	54	0.0	-67.36	408.37	9.79	-57.57
CC(C)C[N@H+]1CCCC1C(=O)NCCCCCCCC(=O)[O-]	REAL300002151042	1	54	0.0	-67.63	408.07	9.82	-57.81
O=C([O-])CCCCCCCNC(=O)C[NH+]1CCC(CO)CC1	REAL300002151043	0	52	0.0	-72.16	397.22	5.80	-66.36
O=C([O-])CCCCCCCNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300002151140	0	59	0.0	-76.46	452.34	12.11	-64.35
O=C([O-])CCCCCCCNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300002151140	1	59	0.0	-79.67	454.18	12.04	-67.63
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300002151178	1	58	0.0	-69.59	448.53	11.84	-57.75
O=C([O-])CCCCCCCNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300002151178	1	58	0.0	-70.13	439.04	11.69	-58.44
CC(C)[N@@H+]1CCCC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002151266	0	54	0.0	-64.54	396.07	9.61	-54.93
CC(C)[N@H+]1CCCC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002151266	1	54	0.0	-69.40	402.34	9.41	-59.99
C[N@@H+]1CC(C(=O)NCCCCCCCC(=O)[O-])C(C(F)(F)F)C1	REAL300002151267	0	48	0.0	-78.22	377.83	8.34	-69.88
C[N@H+]1CC(C(=O)NCCCCCCCC(=O)[O-])C(C(F)(F)F)C1	REAL300002151267	1	48	0.0	-77.28	379.72	8.44	-68.84
CC1=C(C)[NH+]=C(CCC(=O)NCCCCCCCC(=O)[O-])N1	REAL300002151293	1	49	0.0	-67.22	393.67	7.91	-59.31
C[NH+](C)CCC1=CC=CC(C(=O)NCCCCCCCC(=O)[O-])=C1	REAL300002151772	0	54	0.0	-77.22	424.08	10.94	-66.28
C[NH+](C)CCOC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C1	REAL300002151779	0	55	0.0	-79.59	431.37	9.90	-69.69
O=C([O-])CCCCCCCNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002151868	0	61	0.0	-72.64	463.14	12.56	-60.08
CC1C[N@H+](CC2=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C2)CCO1	REAL300002151870	1	59	0.0	-82.16	448.94	10.28	-71.88
CC1C[N@@H+](CC2=CC=C(C(=O)NCCCCCCCC(=O)[O-])C=C2)CCO1	REAL300002151870	1	59	0.0	-82.26	449.00	10.28	-71.98
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCCCCCCC(=O)[O-])CC1	REAL300002151915	0	54	0.0	-68.86	395.72	9.31	-59.55
CC(C)C[N@@H+]1CCCC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002151982	0	57	0.0	-65.71	418.36	10.52	-55.19
CC(C)C[N@H+]1CCCC(C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002151982	1	57	0.0	-65.71	418.36	10.52	-55.19
CN(C)CC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])O1	REAL300002151988	0	48	0.0	-78.84	388.01	8.43	-70.41
C[NH+](C)CC1=CC=C(C(=O)NCCCCCCCC(=O)[O-])O1	REAL300002151988	1	48	0.0	-78.84	388.01	8.43	-70.41
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002151994	0	57	0.0	-74.38	413.43	9.74	-64.64
C[N@H+]1CCCC(C(C)(C)C(=O)NCCCCCCCC(=O)[O-])C1	REAL300002151994	1	57	0.0	-74.38	413.43	9.74	-64.64
O=C([O-])CCCCCCCNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002151997	0	50	0.0	-70.32	381.47	9.94	-60.38
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002152883	0	59	0.0	-67.53	452.34	14.55	-52.98
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300002154048	0	53	0.0	-61.58	400.54	12.15	-49.43
CC1=[NH+]C=C2CCC(C(=O)N(CCCC(=O)[O-])CC3=CC=CC=C3)CN12	REAL300002154072	1	51	0.0	-55.01	399.03	11.98	-43.03
CC(C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300002154138	1	54	0.0	-64.62	404.13	9.15	-55.47
C[N@@H+]1CCCC[C@H]1C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154170	0	49	0.0	-56.94	372.16	10.86	-46.08
C[N@H+]1CCCC[C@H]1C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154170	1	49	0.0	-58.22	366.05	10.69	-47.53
C[NH+]1CCC(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300002154237	0	49	0.0	-62.64	371.83	10.81	-51.83
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002154264	0	44	0.0	-66.28	370.63	12.88	-53.40
C[NH+](C)CC1(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)CCCCC1	REAL300002154294	0	58	0.0	-64.58	399.03	11.91	-52.67
C[N@H+](CCC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)C1CCCCC1	REAL300002154298	0	58	0.0	-59.78	432.92	13.14	-46.64
C[N@@H+](CCC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)C1CCCCC1	REAL300002154298	1	58	0.0	-58.62	432.91	13.13	-45.49
C[N@@H+]1CCCC1C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154311	0	46	0.0	-50.44	354.52	10.04	-40.40
C[N@H+]1CCCC1C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154311	1	46	0.0	-54.32	356.65	10.36	-43.96
C[NH+]1CCC(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300002154358	0	49	0.0	-62.64	371.83	10.81	-51.83
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002154361	0	52	0.0	-71.82	419.21	11.71	-60.11
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002154372	0	60	0.0	-64.08	435.81	11.40	-52.68
CC1=[NH+]C=CN1CCCC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154404	1	50	0.0	-58.78	405.47	12.44	-46.34
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)CCCC[NH+]1CCOCC1	REAL300002154405	1	56	0.0	-65.89	432.78	11.13	-54.76
CC[N@H+](CC1=CC=C(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)C=C1)C(C)C	REAL300002154407	0	61	0.0	-66.40	451.54	14.09	-52.31
CC[N@@H+](CC1=CC=C(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)C=C1)C(C)C	REAL300002154407	1	61	0.0	-65.14	448.57	13.79	-51.35
C[N@@H+]1CCC[C@@H]1C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154410	0	46	0.0	-56.47	352.84	9.94	-46.53
C[N@H+]1CCC[C@@H]1C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154410	1	46	0.0	-56.08	353.38	10.24	-45.84
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002154447	0	56	0.0	-59.17	435.64	13.84	-45.33
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002154447	1	56	0.0	-61.45	440.29	14.00	-47.45
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002154448	0	57	0.0	-67.98	434.90	13.17	-54.81
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002154472	0	60	0.0	-59.27	431.24	11.39	-47.88
CCC(C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)[NH+](CC)CC	REAL300002154476	0	54	0.0	-52.63	391.72	11.43	-41.20
CC(C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002154478	0	55	0.0	-53.53	429.55	13.51	-40.02
CC(C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002154478	1	55	0.0	-55.11	428.95	13.50	-41.61
C[NH+](C)CC1=CC=C(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300002154498	0	51	0.0	-65.79	405.34	10.75	-55.04
CCC[NH+](CCC)CCCC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154502	0	60	0.0	-63.14	451.31	13.52	-49.62
C[N@@H+]1CCOC(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)C1	REAL300002154504	1	47	0.0	-65.22	362.72	9.68	-55.54
C[N@H+]1CCOC(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)C1	REAL300002154504	1	47	0.0	-60.06	363.77	9.59	-50.47
CC(C)C1=[NH+]C=CN1CC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154511	1	50	0.0	-53.46	400.15	12.24	-41.22
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002154526	0	56	0.0	-67.42	430.65	13.63	-53.79
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002154531	0	59	0.0	-69.09	446.82	14.33	-54.76
C[NH+](C)CC1(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300002154534	0	49	0.0	-51.20	378.76	11.01	-40.19
C[NH+](C)CCCCC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154542	0	51	0.0	-64.46	399.83	11.66	-52.80
CC1=C(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002154563	1	50	0.0	-74.28	400.05	10.80	-63.48
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002154566	0	59	0.0	-67.72	447.40	14.34	-53.38
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002154577	1	52	0.0	-69.12	411.68	11.88	-57.24
C[NH+](C)CCC1=CC=C(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)C=C1	REAL300002154578	0	55	0.0	-72.72	423.69	13.12	-59.60
CNC1=[NH+]C(C)=CC=C1C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154583	1	48	0.0	-50.98	388.87	10.18	-40.80
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002154584	1	57	0.0	-56.63	442.81	13.25	-43.38
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002154584	1	57	0.0	-50.16	434.65	13.07	-37.09
CCC[N@H+](C)CC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154591	0	48	0.0	-56.18	373.74	10.90	-45.28
CCC[N@@H+](C)CC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154591	1	48	0.0	-56.33	373.73	10.90	-45.43
C[N@H+](CC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)C1CCC1	REAL300002154605	0	49	0.0	-53.92	380.73	11.47	-42.45
C[N@@H+](CC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)C1CCC1	REAL300002154605	1	49	0.0	-58.21	375.01	11.24	-46.97
CC(C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)[NH+]1CCSCC1	REAL300002154626	1	50	0.0	-56.87	386.11	11.21	-45.66
C[N@H+](CC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)CC(C)(C)C	REAL300002154632	0	54	0.0	-55.24	402.34	11.89	-43.35
C[N@@H+](CC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)CC(C)(C)C	REAL300002154632	1	54	0.0	-55.61	404.65	12.06	-43.55
C[N@H+](CCC1=CC=CC=C1)CC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154634	0	55	0.0	-60.28	433.64	13.93	-46.35
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154634	1	55	0.0	-59.97	433.64	13.93	-46.04
COCCOCC[N@H+](C)CCC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154635	0	59	0.0	-61.31	462.64	10.16	-51.15
COCCOCC[N@@H+](C)CCC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154635	1	59	0.0	-60.03	462.71	10.16	-49.87
CC[C@@H](C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)[NH+](C)C	REAL300002154638	0	48	0.0	-65.51	356.13	10.17	-55.34
C[N@@H+]1CCCC(O)(CC(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)C1	REAL300002154640	0	53	0.0	-63.46	389.52	9.46	-54.00
C[N@H+]1CCCC(O)(CC(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)C1	REAL300002154640	1	53	0.0	-54.92	404.65	9.86	-45.06
CCCCCC[N@H+](C)CC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154652	0	57	0.0	-57.06	438.23	13.24	-43.82
CCCCCC[N@@H+](C)CC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154652	1	57	0.0	-59.97	432.47	13.02	-46.95
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300002154666	1	44	0.0	-66.61	359.36	12.58	-54.03
C[N@H+](CC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)C1CCSC1	REAL300002154676	0	50	0.0	-59.52	395.23	11.72	-47.80
C[N@@H+](CC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)C1CCSC1	REAL300002154676	1	50	0.0	-61.80	388.09	11.49	-50.31
CC(C)[NH+]1CCN(CCC(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300002154691	0	60	0.0	-59.70	449.86	10.71	-48.99
CC(C)N1CC[NH+](CCC(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300002154691	1	60	0.0	-59.79	446.17	10.49	-49.30
CC(C)[NH+]1CCN(CCCC(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300002154692	0	63	0.0	-64.20	471.36	11.51	-52.69
CC(C)N1CC[NH+](CCCC(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)CC1	REAL300002154692	1	63	0.0	-61.69	467.67	11.30	-50.39
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300002154693	0	53	0.0	-48.88	400.03	12.18	-36.70
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1CCCC2CCC[N@H+]21	REAL300002154693	1	53	0.0	-52.78	388.95	11.77	-41.01
C[NH+](C)CCN1C=C(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)C=N1	REAL300002154695	0	52	0.0	-73.38	408.79	10.43	-62.95
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002154700	0	58	0.0	-64.09	435.28	12.76	-51.33
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002154700	1	58	0.0	-63.97	435.59	12.78	-51.19
CC(C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002154705	1	56	0.0	-54.52	426.69	13.78	-40.74
CC(C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002154705	1	56	0.0	-53.22	430.35	13.79	-39.43
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002154720	0	59	0.0	-65.19	453.83	14.54	-50.65
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002154720	1	59	0.0	-66.44	454.26	14.56	-51.88
C[NH+](C)CCN1C=CC(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)=N1	REAL300002154733	0	52	0.0	-63.09	411.95	11.30	-51.79
C[NH+](C)CCN1N=CC=C1C(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154734	0	52	0.0	-62.19	404.51	10.51	-51.68
C[C@@H]1[C@H](C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)CC[N@@H+]1C	REAL300002154736	0	49	0.0	-63.69	369.86	10.43	-53.26
C[C@@H]1[C@H](C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)CC[N@H+]1C	REAL300002154736	1	49	0.0	-54.27	371.85	10.61	-43.66
CCC1=[NH+]C=CN1C(C)CC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154737	1	53	0.0	-54.05	420.45	12.75	-41.30
CC[C@@H]1[C@@H](C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)CC[N@@H+]1C	REAL300002154740	0	52	0.0	-62.60	389.67	11.06	-51.54
CC[C@@H]1[C@@H](C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)CC[N@H+]1C	REAL300002154740	1	52	0.0	-64.76	386.71	11.16	-53.60
C[N@@H+]1CCCC1C1=CC(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)=NN1	REAL300002154742	1	53	0.0	-68.58	415.63	11.01	-57.57
C[N@H+]1CCCC1C1=CC(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)=NN1	REAL300002154742	1	53	0.0	-64.76	410.98	10.50	-54.26
CC1C[N@H+](C)CC(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)O1	REAL300002154747	1	50	0.0	-71.87	377.23	10.28	-61.59
CC1C[N@@H+](C)CC(C(=O)N(CCCC(=O)[O-])CC2=CC=CC=C2)O1	REAL300002154747	1	50	0.0	-60.66	377.72	9.91	-50.75
O=C([O-])CCCN(CC1=CC=CC=C1)C(=O)C[NH+]1CCCC1	REAL300002154754	0	46	0.0	-55.90	358.45	10.50	-45.40
CC1=[NH+]C=CN1CC(=O)N(CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002154756	1	44	0.0	-58.76	358.17	10.87	-47.89
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CC(C(=O)N1CCCC(CCC(=O)[O-])C1)[NH+]1CCCCCC1	REAL300002160426	0	52	0.0	-58.21	357.24	9.41	-48.80
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O=C([O-])CCC1CCCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300002160520	0	52	0.0	-75.36	384.00	10.44	-64.92
CC1=CC=C(N2CCC(C(=O)N3CCCC(CCC(=O)[O-])C3)CC2)[NH+]=C1	REAL300002160522	1	55	0.0	-61.79	406.05	10.07	-51.72
C[N@H+](CC(=O)N1CCCC(CCC(=O)[O-])C1)CC1=CC=CC=C1	REAL300002160523	1	49	0.0	-76.47	369.30	10.66	-65.81
C[N@@H+](CC(=O)N1CCCC(CCC(=O)[O-])C1)CC1=CC=CC=C1	REAL300002160523	1	49	0.0	-76.46	369.26	10.65	-65.81
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(CCC(=O)[O-])C3)C=C2)CC1	REAL300002160527	0	61	0.0	-61.18	437.87	10.58	-50.60
O=C([O-])CCC1CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300002160542	1	44	0.0	-80.33	349.91	8.21	-72.12
C[NH+](C)CC1=CC(C(=O)N2CCCC(CCC(=O)[O-])C2)=NO1	REAL300002160571	1	45	0.0	-80.92	348.22	8.36	-72.56
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300002160576	0	56	0.0	-78.53	416.43	12.09	-66.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300002160576	1	56	0.0	-74.62	412.13	12.16	-62.46
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300002160600	0	57	0.0	-82.71	434.41	11.59	-71.12
C[NH+]1CCC(OCC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300002160617	0	50	0.0	-81.87	372.95	9.25	-72.62
O=C([O-])CCC1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300002160623	0	53	0.0	-52.66	395.02	10.66	-42.00
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(CCC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002160664	0	55	0.0	-76.18	404.65	10.19	-65.99
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(CCC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002160664	1	55	0.0	-71.96	400.07	9.98	-61.98
CCC[N@@H+]1CCCC(C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300002160809	0	52	0.0	-65.39	366.68	10.13	-55.26
CCC[N@H+]1CCCC(C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300002160809	1	52	0.0	-58.61	366.68	10.11	-48.50
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300002160842	0	52	0.0	-68.28	372.75	9.95	-58.33
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300002160842	1	52	0.0	-69.18	370.29	9.70	-59.48
O=C([O-])CCC1CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300002160845	0	50	0.0	-73.21	366.10	6.23	-66.98
O=C([O-])CCC1CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300002160940	0	57	0.0	-79.04	416.18	12.22	-66.82
O=C([O-])CCC1CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300002160940	1	57	0.0	-83.35	419.39	12.30	-71.05
O=C([O-])CCC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300002160979	1	56	0.0	-69.49	416.34	12.28	-57.21
O=C([O-])CCC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300002160979	1	56	0.0	-70.36	405.03	11.79	-58.57
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300002161067	0	52	0.0	-61.23	370.91	9.76	-51.47
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300002161067	1	52	0.0	-72.01	371.14	9.78	-62.23
C[N@@H+]1CC(C(=O)N2CCCC(CCC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300002161068	0	46	0.0	-82.23	352.80	8.62	-73.61
C[N@H+]1CC(C(=O)N2CCCC(CCC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300002161068	1	46	0.0	-83.69	352.89	8.61	-75.08
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(CCC(=O)[O-])C2)N1	REAL300002161093	1	47	0.0	-69.03	364.18	8.45	-60.58
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300002161575	0	52	0.0	-79.59	393.54	11.09	-68.50
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300002161582	0	53	0.0	-84.41	399.08	10.01	-74.40
O=C([O-])CCC1CCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002161672	0	59	0.0	-73.19	432.46	13.06	-60.13
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(CCC(=O)[O-])C3)C=C2)CCO1	REAL300002161674	1	57	0.0	-86.32	417.17	10.39	-75.93
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(CCC(=O)[O-])C3)C=C2)CCO1	REAL300002161674	1	57	0.0	-86.29	417.20	10.39	-75.90
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300002161717	0	52	0.0	-68.84	361.51	9.51	-59.33
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300002161783	0	55	0.0	-62.45	390.68	10.56	-51.89
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300002161783	1	55	0.0	-62.45	390.68	10.56	-51.89
CN(C)CC1=CC=C(C(=O)N2CCCC(CCC(=O)[O-])C2)O1	REAL300002161789	0	46	0.0	-57.11	354.35	8.89	-48.22
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(CCC(=O)[O-])C2)O1	REAL300002161789	1	46	0.0	-57.11	354.35	8.89	-48.22
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300002161795	0	55	0.0	-84.77	375.23	9.54	-75.23
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300002161795	1	55	0.0	-84.77	375.23	9.54	-75.23
O=C([O-])CCC1CCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300002161798	0	48	0.0	-70.73	343.58	9.85	-60.88
CC(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002162934	0	49	0.0	-72.75	373.01	9.30	-63.45
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300002163646	0	46	0.0	-61.12	350.02	8.21	-52.91
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300002163646	1	46	0.0	-62.33	355.81	8.74	-53.59
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)CC(=O)[O-]	REAL300002164250	1	46	0.0	-64.19	366.80	8.75	-55.44
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)CC(=O)[O-]	REAL300002164250	1	46	0.0	-63.47	366.83	8.75	-54.72
CC(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)CC(=O)[O-]	REAL300002164303	0	49	0.0	-63.74	367.83	8.79	-54.95
CC1=NC(C[NH+]2CCC(C(=O)NCC(C)CC(=O)[O-])CC2)=CS1	REAL300002164346	1	48	0.0	-71.51	380.73	7.12	-64.39
CC(CNC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300002164389	0	52	0.0	-72.05	406.26	8.87	-63.18
CC(CNC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300002164397	0	52	0.0	-75.11	407.05	11.18	-63.93
CC(CNC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300002164397	1	52	0.0	-74.59	407.06	11.19	-63.40
CC(CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002164398	0	52	0.0	-65.46	385.93	9.76	-55.70
CC(CNC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002164433	0	49	0.0	-65.77	387.58	9.47	-56.30
CC(CNC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002164433	1	49	0.0	-65.75	389.43	9.65	-56.10
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300002164469	1	49	0.0	-65.13	377.26	9.32	-55.81
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300002164469	1	49	0.0	-65.10	377.25	9.33	-55.77
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300002164470	1	46	0.0	-65.00	356.48	8.28	-56.72
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300002164470	1	46	0.0	-64.27	356.50	8.30	-55.97
CC(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)CC(=O)[O-]	REAL300002164510	0	42	0.0	-72.02	341.35	6.73	-65.29
CC(CNC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)CC(=O)[O-]	REAL300002164515	0	52	0.0	-75.52	405.48	8.86	-66.66
CC(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)CC(=O)[O-]	REAL300002164538	0	50	0.0	-71.93	363.91	6.38	-65.55
CC[N@H+](CC1=CC=C(C(=O)NCC(C)CC(=O)[O-])C=C1)C(C)C	REAL300002164553	0	51	0.0	-72.93	371.50	9.05	-63.88
CC[N@@H+](CC1=CC=C(C(=O)NCC(C)CC(=O)[O-])C=C1)C(C)C	REAL300002164553	1	51	0.0	-71.04	369.69	8.78	-62.26
CC(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002164573	0	46	0.0	-67.93	357.12	8.55	-59.38
CC(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002164573	1	46	0.0	-67.49	357.20	8.61	-58.88
CC(CNC(=O)C1CC[NH+](C2CCSC2)CC1)CC(=O)[O-]	REAL300002164574	0	47	0.0	-74.64	352.01	7.76	-66.88
CC(CNC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)CC(=O)[O-]	REAL300002164592	1	51	0.0	-65.81	385.61	7.41	-58.40
CC(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)CC(=O)[O-]	REAL300002164593	0	50	0.0	-67.23	349.51	6.00	-61.23
CC(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002164601	0	52	0.0	-70.47	395.85	10.18	-60.29
CC(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002164601	1	52	0.0	-70.42	395.87	10.18	-60.24
CC(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)CC(=O)[O-]	REAL300002164638	1	50	0.0	-61.83	380.29	6.05	-55.78
CC[NH+](CC)C(C(=O)NCC(C)CC(=O)[O-])C1=CC=CC=C1	REAL300002164643	0	48	0.0	-60.97	353.87	8.38	-52.59
CC(CNC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)CC(=O)[O-]	REAL300002164644	1	42	0.0	-65.34	343.65	8.12	-57.22
CC(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)CC(=O)[O-]	REAL300002164656	0	46	0.0	-73.76	354.28	8.67	-65.09
CC(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)CC(=O)[O-]	REAL300002164661	0	49	0.0	-70.05	371.91	9.44	-60.61
CCN1CCC([NH+]2CCC(C(=O)NCC(C)CC(=O)[O-])CC2)CC1	REAL300002164667	0	57	0.0	-69.99	407.05	7.06	-62.93
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC(C)CC(=O)[O-])=C1	REAL300002164669	0	59	0.0	-70.90	453.16	12.86	-58.04
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC(C)CC(=O)[O-])=C1	REAL300002164669	1	59	0.0	-73.70	456.12	12.81	-60.89
CC(CNC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)CC(=O)[O-]	REAL300002164673	1	53	0.0	-77.08	405.18	8.48	-68.60
CC(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300002164683	1	50	0.0	-76.46	379.74	8.59	-67.87
CC(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300002164683	1	50	0.0	-76.51	379.81	8.59	-67.92
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300002164698	0	49	0.0	-60.90	370.87	9.24	-51.66
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300002164698	1	49	0.0	-61.43	361.39	9.10	-52.33
CC1=C(C(=O)NCC(C)CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002164699	1	40	0.0	-75.78	326.36	5.96	-69.82
CC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)CC(=O)[O-]	REAL300002164706	0	49	0.0	-74.34	371.60	9.40	-64.94
CC(CNC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)CC(=O)[O-]	REAL300002164716	0	59	0.0	-71.20	446.20	12.31	-58.89
CC(CNC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)CC(=O)[O-]	REAL300002164716	1	59	0.0	-72.39	446.85	12.19	-60.20
CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300002164721	1	47	0.0	-69.55	359.19	7.98	-61.57
CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300002164721	1	47	0.0	-67.76	359.25	7.98	-59.78
CC(CNC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)CC(=O)[O-]	REAL300002164725	0	56	0.0	-62.17	409.20	10.66	-51.51
CC(CNC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)CC(=O)[O-]	REAL300002164725	1	56	0.0	-63.84	416.38	10.94	-52.90
CC(CNC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002164733	0	55	0.0	-63.03	410.46	10.57	-52.46
COCCOCC[N@H+](C)CCC(=O)NCC(C)CC(=O)[O-]	REAL300002164754	0	49	0.0	-67.71	380.32	4.72	-62.99
COCCOCC[N@@H+](C)CCC(=O)NCC(C)CC(=O)[O-]	REAL300002164754	1	49	0.0	-68.80	380.37	4.74	-64.06
CC(CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002164763	0	54	0.0	-72.75	406.49	8.25	-64.50
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)CC(=O)[O-]	REAL300002164764	1	48	0.0	-65.36	365.85	7.50	-57.86
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)CC(=O)[O-]	REAL300002164764	1	48	0.0	-65.75	356.39	7.36	-58.39
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)CC(=O)[O-]	REAL300002164765	1	48	0.0	-62.84	365.74	7.40	-55.44
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)CC(=O)[O-]	REAL300002164765	1	48	0.0	-64.06	356.33	7.34	-56.72
CC(CNC(=O)CCCN1CC[NH+](C(C)C)CC1)CC(=O)[O-]	REAL300002164783	0	53	0.0	-66.32	389.04	6.09	-60.23
CC(C)N1CC[NH+](CCCC(=O)NCC(C)CC(=O)[O-])CC1	REAL300002164783	1	53	0.0	-68.54	385.36	5.88	-62.66
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC(C)CC(=O)[O-])CC2)=C1	REAL300002164787	0	54	0.0	-71.74	406.39	8.11	-63.63
CC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002164788	0	51	0.0	-71.67	384.99	7.45	-64.22
CC(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)CC(=O)[O-]	REAL300002164791	0	48	0.0	-70.50	368.27	7.55	-62.95
CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)CC(=O)[O-]	REAL300002164791	1	48	0.0	-70.50	368.20	7.54	-62.96
CC(CNC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300002164794	1	46	0.0	-64.15	347.26	8.67	-55.48
CC(CNC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300002164794	1	46	0.0	-64.12	347.25	8.68	-55.44
CC(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002164817	0	49	0.0	-71.82	377.23	9.34	-62.48
CC(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002164817	1	49	0.0	-71.93	377.01	9.34	-62.59
CC(CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)CC(=O)[O-]	REAL300002164833	0	49	0.0	-70.45	379.74	9.38	-61.07
CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)CC(=O)[O-]	REAL300002164833	1	49	0.0	-70.17	379.70	9.38	-60.79
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)CC(=O)[O-]	REAL300002164834	1	45	0.0	-61.29	346.78	6.61	-54.68
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)CC(=O)[O-]	REAL300002164834	1	45	0.0	-60.26	345.87	6.40	-53.86
CC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)CC(=O)[O-]	REAL300002164836	0	50	0.0	-71.51	382.72	6.86	-64.65
CC(CNC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)CC(=O)[O-]	REAL300002164856	1	49	0.0	-76.54	369.73	7.56	-68.98
CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)CC(=O)[O-]	REAL300002164869	0	54	0.0	-72.88	405.12	8.12	-64.76
CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)CC(=O)[O-]	REAL300002164869	1	54	0.0	-75.93	406.19	8.13	-67.80
CC(C)[N@@H+]1CCC(C(=O)NCC(C)CC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002164871	0	55	0.0	-68.43	400.09	7.78	-60.65
CC(C)[N@H+]1CCC(C(=O)NCC(C)CC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002164871	1	55	0.0	-72.38	410.47	8.13	-64.25
CC(CNC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)CC(=O)[O-]	REAL300002164872	0	49	0.0	-77.28	368.58	6.50	-70.78
CC(CNC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)CC(=O)[O-]	REAL300002164872	1	49	0.0	-77.22	368.59	6.50	-70.72
CC(CNC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)CC(=O)[O-]	REAL300002164875	0	51	0.0	-69.20	389.03	7.02	-62.18
CC(CNC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)CC(=O)[O-]	REAL300002164876	0	51	0.0	-71.71	388.09	6.84	-64.87
CC(CNC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)CC(=O)[O-]	REAL300002164876	1	51	0.0	-75.09	388.43	6.90	-68.19
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(C)CC(=O)[O-])C=C1	REAL300002164877	0	52	0.0	-72.00	391.52	8.45	-63.55
CC(CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)CC(=O)[O-]	REAL300002164913	0	53	0.0	-77.05	403.58	6.76	-70.29
CC(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002164915	0	49	0.0	-66.46	373.34	9.31	-57.15
CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002164915	1	49	0.0	-66.44	373.29	9.31	-57.13
CC(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002164960	0	47	0.0	-65.46	365.18	5.53	-59.93
CC(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002164960	1	47	0.0	-65.08	365.40	5.53	-59.55
CC(CNC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)CC(=O)[O-]	REAL300002164963	0	45	0.0	-62.56	357.52	7.96	-54.60
CC[NH+](CC)C(C(=O)NCC(C)CC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300002164965	0	51	0.0	-63.99	389.61	9.46	-54.53
CC(C)C(C(=O)NCC(C)CC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300002164988	1	52	0.0	-60.89	377.09	7.25	-53.64
CC(CNC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)CC(=O)[O-]	REAL300002165006	1	47	0.0	-76.10	365.14	8.04	-68.06
CC(CNC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)CC(=O)[O-]	REAL300002165006	1	47	0.0	-76.08	365.16	8.04	-68.04
CC1=CC=C(N2CCC(C(=O)NCC(C)CC(=O)[O-])CC2)[NH+]=C1	REAL300002165050	1	48	0.0	-65.50	366.24	7.19	-58.31
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC(C)CC(=O)[O-])C=C2)CC1	REAL300002165053	0	54	0.0	-73.49	398.36	7.96	-65.53
CC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300002165081	0	49	0.0	-69.30	374.18	9.15	-60.15
CC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300002165081	1	49	0.0	-69.27	373.71	9.12	-60.15
CC(CNC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300002165095	0	50	0.0	-74.48	394.69	8.57	-65.91
CC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)CC(=O)[O-]	REAL300002165107	0	46	0.0	-71.10	358.34	7.79	-63.31
CC(CNC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)CC(=O)[O-]	REAL300002165126	0	48	0.0	-67.32	366.20	7.31	-60.01
CC(CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)CC(=O)[O-]	REAL300002165126	1	48	0.0	-64.88	364.82	7.41	-57.47
CC(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)CC(=O)[O-]	REAL300002165278	0	50	0.0	-71.62	380.65	9.58	-62.04
CC(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)CC(=O)[O-]	REAL300002165278	1	50	0.0	-71.44	383.07	9.53	-61.91
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)CC(=O)[O-]	REAL300002165305	1	49	0.0	-62.13	377.30	9.32	-52.81
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)CC(=O)[O-]	REAL300002165305	1	49	0.0	-66.60	367.82	9.17	-57.43
CC(CNC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300002165635	0	46	0.0	-73.84	360.14	7.39	-66.45
CC(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002165684	0	52	0.0	-67.44	391.90	10.04	-57.40
CC(CNC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)CC(=O)[O-]	REAL300002165686	1	50	0.0	-76.61	377.69	7.76	-68.85
CC(CNC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)CC(=O)[O-]	REAL300002165686	1	50	0.0	-76.53	377.70	7.77	-68.76
CC(CNC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)CC(=O)[O-]	REAL300002165724	0	58	0.0	-75.10	428.01	10.57	-64.53
CC(CNC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)CC(=O)[O-]	REAL300002165724	1	58	0.0	-75.10	428.01	10.57	-64.53
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002166986	0	59	0.0	-76.27	419.53	12.17	-64.10
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300002167687	0	56	0.0	-74.74	404.03	11.61	-63.13
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300002167687	1	56	0.0	-69.25	399.48	11.43	-57.82
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300002168535	1	56	0.0	-60.55	411.73	11.64	-48.91
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300002168535	1	56	0.0	-74.90	414.89	11.88	-63.02
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300002168619	0	53	0.0	-49.23	369.20	9.83	-39.40
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300002168649	0	50	0.0	-61.94	347.92	8.98	-52.96
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300002168649	1	50	0.0	-76.05	346.90	8.81	-67.24
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)CN12	REAL300002168655	1	51	0.0	-74.26	368.92	9.67	-64.59
CC(C)(C(=O)[O-])C1CCCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300002168656	0	59	0.0	-42.39	412.46	11.56	-30.83
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)CC2)=CS1	REAL300002168734	1	58	0.0	-84.99	426.44	10.13	-74.86
CC(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300002168735	1	54	0.0	-73.13	376.37	6.97	-66.16
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=C1	REAL300002168821	0	62	0.0	-76.90	453.62	11.84	-65.06
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002168834	0	62	0.0	-70.80	425.94	12.14	-58.66
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300002168891	0	44	0.0	-74.89	328.30	10.18	-64.71
C[NH+](C)CC1(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)CCCCC1	REAL300002168923	0	58	0.0	-76.82	372.99	10.03	-66.79
C[N@H+](CCC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)C1CCCCC1	REAL300002168928	0	58	0.0	-70.16	397.01	10.67	-59.49
C[N@@H+](CCC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)C1CCCCC1	REAL300002168928	1	58	0.0	-70.56	397.02	10.69	-59.87
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300002168949	1	59	0.0	-73.49	424.10	12.31	-61.18
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300002168949	1	59	0.0	-70.16	422.28	12.19	-57.97
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300002168950	1	56	0.0	-73.46	403.26	11.24	-62.22
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300002168950	1	56	0.0	-75.95	404.56	11.43	-64.52
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300002169004	0	52	0.0	-86.90	390.15	9.40	-77.50
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300002169029	0	59	0.0	-60.58	386.95	10.59	-49.99
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300002169029	1	59	0.0	-70.29	390.92	10.67	-59.62
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300002169030	0	60	0.0	-75.57	409.84	9.18	-66.39
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169061	1	50	0.0	-67.97	369.59	9.98	-57.99
CC(C)(C(=O)[O-])C1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300002169062	1	56	0.0	-86.29	400.62	8.75	-77.54
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=C1)C(C)C	REAL300002169064	0	61	0.0	-78.53	422.78	11.69	-66.84
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=C1)C(C)C	REAL300002169064	1	61	0.0	-92.39	418.49	11.48	-80.91
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002169092	0	56	0.0	-70.58	397.99	11.29	-59.29
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002169092	1	56	0.0	-72.27	402.35	11.46	-60.81
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300002169093	0	57	0.0	-77.41	398.31	10.57	-66.84
C[NH+]1CCN(C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300002169121	1	61	0.0	-76.10	431.20	10.00	-66.10
CC(C)(C(=O)[O-])C1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300002169122	0	60	0.0	-75.07	397.56	9.00	-66.07
CCC(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)[NH+](CC)CC	REAL300002169126	0	54	0.0	-72.64	361.47	9.27	-63.37
CC(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300002169128	0	55	0.0	-63.73	391.85	10.96	-52.77
CC(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002169128	1	55	0.0	-65.87	392.09	11.01	-54.86
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300002169138	0	62	0.0	-47.29	433.29	13.09	-34.20
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300002169138	1	62	0.0	-80.05	441.52	12.95	-67.10
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=N1	REAL300002169164	0	51	0.0	-81.70	374.84	8.41	-73.29
CCC[NH+](CCC)CCCC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169174	0	60	0.0	-70.81	416.73	10.99	-59.82
CC(C)(C(=O)[O-])C1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300002169175	1	60	0.0	-59.70	422.47	8.82	-50.88
CC[N@H+](C)C(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)C1=CC=CC=C1	REAL300002169176	0	55	0.0	-71.40	385.55	10.86	-60.54
CC[N@@H+](C)C(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)C1=CC=CC=C1	REAL300002169176	1	55	0.0	-67.23	387.96	11.00	-56.23
CC[NH+](CC)C(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)C1=CC=CC=C1	REAL300002169181	0	58	0.0	-59.42	394.73	11.43	-47.99
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169189	1	50	0.0	-65.37	365.40	9.78	-55.59
C[NH+](C)C(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300002169193	1	52	0.0	-62.18	387.13	10.87	-51.31
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300002169206	0	56	0.0	-81.84	402.45	11.37	-70.47
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300002169213	0	59	0.0	-75.29	418.82	12.09	-63.20
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)CC2)CC1	REAL300002169219	0	67	0.0	-73.42	453.29	9.88	-63.54
CC(C)(C(=O)[O-])C1CCCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002169239	1	60	0.0	-81.01	435.12	11.72	-69.29
CC(C)(C(=O)[O-])C1CCCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002169239	1	60	0.0	-80.66	426.21	11.57	-69.09
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300002169253	0	59	0.0	-59.77	407.94	11.81	-47.96
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300002169253	1	59	0.0	-72.13	410.31	11.83	-60.30
CC1=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300002169255	1	50	0.0	-77.37	374.25	8.59	-68.78
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300002169263	0	59	0.0	-82.14	419.19	12.08	-70.06
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300002169276	1	52	0.0	-80.19	382.40	9.53	-70.66
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=C1	REAL300002169277	0	55	0.0	-83.69	400.13	11.06	-72.63
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169289	1	48	0.0	-60.58	350.97	7.62	-52.96
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002169290	1	57	0.0	-80.51	403.33	10.75	-69.76
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002169290	1	57	0.0	-82.37	403.40	10.70	-71.67
CC(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)[NH+]1CCSCC1	REAL300002169346	1	50	0.0	-71.80	356.94	8.99	-62.81
C[N@H+](CC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)CC(C)(C)C	REAL300002169352	0	54	0.0	-72.48	369.18	9.51	-62.97
C[N@@H+](CC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)CC(C)(C)C	REAL300002169352	1	54	0.0	-72.22	370.78	9.65	-62.57
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169354	0	55	0.0	-68.75	397.79	11.47	-57.28
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169354	1	55	0.0	-76.22	401.49	11.55	-64.67
COCCOCC[N@H+](C)CCC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169355	0	59	0.0	-69.88	426.78	7.70	-62.18
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169355	1	59	0.0	-71.87	426.78	7.70	-64.17
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C1	REAL300002169359	0	53	0.0	-79.00	369.80	7.58	-71.42
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C1	REAL300002169359	1	53	0.0	-76.56	357.07	7.32	-69.24
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300002169376	1	58	0.0	-71.40	402.04	9.94	-61.46
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300002169376	1	58	0.0	-74.89	411.60	10.39	-64.50
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300002169377	1	58	0.0	-80.46	406.01	10.04	-70.42
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300002169377	1	58	0.0	-75.06	405.34	10.08	-64.98
CCCCCC[N@H+](C)CC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169379	0	57	0.0	-66.67	402.38	10.78	-55.89
CCCCCC[N@@H+](C)CC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169379	1	57	0.0	-74.84	406.05	10.88	-63.96
CC(C)(C(=O)[O-])C1CCCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300002169389	0	50	0.0	-61.99	335.29	8.32	-53.67
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300002169397	1	44	0.0	-75.43	333.16	10.43	-65.00
C[N@H+](CC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)C1CCSC1	REAL300002169414	0	50	0.0	-77.18	361.71	9.36	-67.82
C[N@@H+](CC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)C1CCSC1	REAL300002169414	1	50	0.0	-79.48	361.65	9.33	-70.15
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)CC1	REAL300002169429	0	60	0.0	-71.90	414.95	8.27	-63.63
CC(C)N1CC[NH+](CCC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)CC1	REAL300002169429	1	60	0.0	-79.45	414.21	8.14	-71.31
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)CC1	REAL300002169430	0	63	0.0	-68.70	435.45	9.06	-59.64
CC(C)N1CC[NH+](CCCC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)CC1	REAL300002169430	1	63	0.0	-81.62	435.70	8.93	-72.69
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300002169431	0	53	0.0	-61.01	351.88	9.03	-51.98
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300002169431	1	53	0.0	-61.41	351.75	9.14	-52.27
C[NH+](C)CCN1C=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=N1	REAL300002169433	0	52	0.0	-81.34	383.65	8.29	-73.05
CC(C)(C(=O)[O-])C1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300002169442	0	61	0.0	-74.13	431.45	10.42	-63.71
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300002169445	0	58	0.0	-84.81	415.34	10.38	-74.43
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300002169445	1	58	0.0	-66.93	405.07	10.16	-56.77
CC(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002169450	0	56	0.0	-66.12	393.15	11.34	-54.78
CC(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002169450	1	56	0.0	-65.28	391.91	11.32	-53.96
CCC(CC)C(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)[NH+]1CCOCC1	REAL300002169467	1	62	0.0	-58.57	399.75	9.21	-49.36
CC(C)(C(=O)[O-])C1CCCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002169474	0	59	0.0	-74.40	421.51	12.24	-62.16
CC(C)(C(=O)[O-])C1CCCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002169474	1	59	0.0	-80.50	426.29	12.35	-68.15
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=N1	REAL300002169489	0	52	0.0	-83.95	380.21	8.85	-75.10
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169490	0	52	0.0	-61.41	376.26	8.22	-53.19
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169496	1	53	0.0	-73.56	388.27	10.39	-63.17
CC[C@@H]1[C@@H](C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)CC[N@@H+]1C	REAL300002169499	0	52	0.0	-69.51	350.90	8.56	-60.95
CC[C@@H]1[C@@H](C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)CC[N@H+]1C	REAL300002169499	1	52	0.0	-68.80	357.02	8.90	-59.90
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=NN1	REAL300002169502	1	53	0.0	-81.15	383.25	8.43	-72.72
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=NN1	REAL300002169502	1	53	0.0	-80.60	376.27	7.85	-72.75
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169503	0	48	0.0	-65.80	345.91	8.81	-56.99
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169503	1	48	0.0	-68.32	347.63	9.13	-59.19
CC1C[N@H+](C)CC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)O1	REAL300002169511	1	50	0.0	-81.17	345.44	7.59	-73.58
CC1C[N@@H+](C)CC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)O1	REAL300002169511	1	50	0.0	-47.83	346.58	7.83	-40.00
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300002169517	0	59	0.0	-79.43	428.35	12.26	-67.17
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300002169517	1	59	0.0	-86.76	420.17	12.15	-74.61
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300002169518	1	55	0.0	-68.14	399.70	10.00	-58.14
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300002169518	1	55	0.0	-79.09	399.41	9.72	-69.37
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169523	0	53	0.0	-79.55	368.94	7.61	-71.94
CC(C)(C(=O)[O-])C1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300002169524	0	60	0.0	-83.74	432.38	9.87	-73.87
CC1CC[NH+](CC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)CC1	REAL300002169534	0	52	0.0	-65.40	361.23	9.51	-55.89
CC[N@@H+]1CCOC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C1	REAL300002169549	1	50	0.0	-80.03	345.99	7.84	-72.19
CC[N@H+]1CCOC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C1	REAL300002169549	1	50	0.0	-78.08	344.46	7.79	-70.29
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300002169589	0	59	0.0	-68.71	400.29	10.83	-57.88
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300002169589	1	59	0.0	-78.94	403.20	10.85	-68.09
C[N@@H+]1CCCC1CCC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169596	0	52	0.0	-75.78	368.07	9.60	-66.18
C[N@H+]1CCCC1CCC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169596	1	52	0.0	-68.78	360.58	9.10	-59.68
CC(C)(C(=O)[O-])C1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300002169609	0	53	0.0	-80.13	349.45	8.75	-71.38
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169613	0	50	0.0	-65.13	339.54	4.42	-60.71
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169613	1	50	0.0	-69.00	339.75	4.30	-64.70
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300002169614	0	53	0.0	-67.19	363.24	9.79	-57.40
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300002169614	1	53	0.0	-69.90	360.70	9.55	-60.35
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169622	0	56	0.0	-78.27	376.04	7.76	-70.51
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=N1	REAL300002169627	0	59	0.0	-78.73	410.81	9.52	-69.21
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=N1	REAL300002169627	1	59	0.0	-84.66	411.58	9.59	-75.07
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)=C2)CC1	REAL300002169632	0	61	0.0	-68.78	436.80	9.67	-59.11
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)C=C2)CC1	REAL300002169633	0	61	0.0	-77.77	435.48	9.64	-68.13
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)C=C2)CC1	REAL300002169633	1	61	0.0	-96.94	435.65	9.50	-87.44
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=C1	REAL300002169634	0	62	0.0	-90.22	442.22	11.32	-78.90
CC(C)[NH+]1CCC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)CC1	REAL300002169642	0	55	0.0	-70.89	377.40	9.79	-61.10
CC(C)(C(=O)[O-])C1CCCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300002169729	0	50	0.0	-89.80	329.78	7.77	-82.03
CC(C)(C(=O)[O-])C1CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300002169729	1	50	0.0	-75.44	334.43	7.92	-67.52
CC1CCC(C)[NH+]1CC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169782	0	52	0.0	-69.38	357.93	9.10	-60.28
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=C1	REAL300002169783	0	52	0.0	-75.71	379.13	10.25	-65.46
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002169784	0	59	0.0	-59.38	411.96	12.29	-47.09
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002169784	1	59	0.0	-76.76	409.95	11.98	-64.78
C#CC[NH+]1CCC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)CC1	REAL300002169854	0	51	0.0	-86.68	370.36	9.83	-76.85
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169856	0	55	0.0	-69.67	379.23	9.98	-59.69
CCC[N@H+]1CCCCC1C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169856	1	55	0.0	-58.54	377.61	9.93	-48.61
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169857	0	52	0.0	-64.73	373.98	10.24	-54.49
CC[NH+]1CCN(CCC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)CC1	REAL300002169859	0	57	0.0	-73.50	397.71	7.71	-65.79
CCN1CC[NH+](CCC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)CC1	REAL300002169859	1	57	0.0	-79.74	400.92	7.82	-71.92
CC(C)C(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)[NH+]1CCCCC1	REAL300002169861	0	58	0.0	-63.10	383.00	10.44	-52.66
C[NH+](C)C(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)C1=CC=CC=C1	REAL300002169862	1	52	0.0	-62.34	366.78	10.23	-52.11
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002169866	0	57	0.0	-71.63	409.81	8.45	-63.18
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002169866	1	57	0.0	-67.19	407.81	8.56	-58.63
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002169872	1	53	0.0	-72.84	387.81	10.31	-62.53
C[NH+](C)CC1=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)OC2=CC=CC=C21	REAL300002169873	0	55	0.0	-65.38	402.22	10.92	-54.46
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300002169879	0	56	0.0	-61.89	377.90	10.37	-51.52
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300002169879	1	56	0.0	-70.96	385.33	10.38	-60.58
CC(C)(C(=O)[O-])C1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300002169908	1	57	0.0	-68.65	412.78	11.90	-56.75
CC(C)C(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300002169909	1	62	0.0	-71.98	409.54	9.44	-62.54
CC(C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300002169910	0	55	0.0	-41.41	365.13	9.42	-31.99
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)=CC=C1N2	REAL300002169948	1	57	0.0	-100.18	413.96	10.64	-89.54
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)=CC=C1N2	REAL300002169948	1	57	0.0	-78.75	410.79	10.56	-68.19
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)O1	REAL300002170003	0	55	0.0	-73.83	395.56	10.16	-63.67
CC(C)(C(=O)[O-])C1CCCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300002170004	0	55	0.0	-83.13	393.68	10.47	-72.66
CC1=CC=C(N2CCC(C(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)CC2)[NH+]=C1	REAL300002170006	1	58	0.0	-85.37	411.99	9.93	-75.44
C[N@H+](CC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002170007	1	52	0.0	-69.44	375.31	10.62	-58.82
C[N@@H+](CC(=O)N1CCCC(C(C)(C)C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002170007	1	52	0.0	-78.10	379.01	10.70	-67.40
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300002170029	1	47	0.0	-79.84	358.63	8.23	-71.61
C[NH+](C)CC1=CC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=NO1	REAL300002170060	1	48	0.0	-81.79	356.94	8.40	-73.39
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002170064	0	59	0.0	-80.03	418.24	12.16	-67.87
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002170064	1	59	0.0	-69.08	419.69	11.91	-57.17
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002170081	0	52	0.0	-70.81	349.87	9.44	-61.37
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002170081	1	52	0.0	-73.11	351.08	9.47	-63.64
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=C1	REAL300002170088	0	60	0.0	-94.58	442.70	11.56	-83.02
C[NH+]1CCC(OCC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)CC1	REAL300002170108	0	53	0.0	-78.93	379.52	9.21	-69.72
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300002170113	0	56	0.0	-75.69	400.65	10.57	-65.12
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002170158	0	58	0.0	-72.64	412.55	10.19	-62.45
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002170158	1	58	0.0	-61.11	407.73	10.00	-51.11
CCC[N@@H+]1CCCC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C1	REAL300002170311	0	55	0.0	-45.35	373.55	10.03	-35.32
CCC[N@H+]1CCCC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C1	REAL300002170311	1	55	0.0	-74.92	384.44	10.03	-64.89
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002170344	0	55	0.0	-72.28	384.68	10.12	-62.16
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300002170344	1	55	0.0	-69.58	379.77	9.98	-59.60
CC(C)(C(=O)[O-])C1CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300002170345	0	53	0.0	-66.22	372.06	6.20	-60.02
CC(C)(C(=O)[O-])C1CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300002170447	0	60	0.0	-88.45	426.54	12.30	-76.15
CC(C)(C(=O)[O-])C1CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300002170447	1	60	0.0	-74.07	425.30	12.23	-61.84
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300002170488	1	59	0.0	-76.82	424.14	12.31	-64.51
CC(C)(C(=O)[O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300002170488	1	59	0.0	-74.24	416.24	11.95	-62.29
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C1	REAL300002170583	0	55	0.0	-76.43	376.86	9.64	-66.79
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C1	REAL300002170583	1	55	0.0	-77.45	379.62	9.79	-67.66
C[N@@H+]1CC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300002170584	0	49	0.0	-86.67	361.46	8.62	-78.05
C[N@H+]1CC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300002170584	1	49	0.0	-72.23	358.85	8.56	-63.67
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)N1	REAL300002170608	1	50	0.0	-73.65	373.54	8.49	-65.16
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=C1	REAL300002171108	0	55	0.0	-76.32	399.75	11.07	-65.25
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=C1	REAL300002171116	0	56	0.0	-95.36	406.97	9.99	-85.37
CC(C)(C(=O)[O-])C1CCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002171218	0	62	0.0	-82.66	441.78	13.06	-69.60
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)C=C2)CCO1	REAL300002171220	1	60	0.0	-96.94	424.92	10.37	-86.57
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)C=C2)CCO1	REAL300002171220	1	60	0.0	-85.47	426.38	10.42	-75.05
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)CC1	REAL300002171267	0	55	0.0	-74.29	369.69	9.48	-64.81
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C1	REAL300002171334	0	58	0.0	-70.13	401.11	10.70	-59.43
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C1	REAL300002171334	1	58	0.0	-70.13	401.11	10.70	-59.43
CC[N@@H+]1CCCC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C1	REAL300002171335	0	52	0.0	-59.58	351.37	9.29	-50.29
CC[N@H+]1CCCC(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C1	REAL300002171335	1	52	0.0	-59.58	351.37	9.29	-50.29
CN(C)CC1=CC=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)O1	REAL300002171341	0	49	0.0	-81.43	362.32	8.83	-72.60
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)O1	REAL300002171341	1	49	0.0	-81.43	362.32	8.83	-72.60
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C1	REAL300002171347	0	58	0.0	-84.47	382.54	9.69	-74.78
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C1	REAL300002171347	1	58	0.0	-84.47	382.54	9.69	-74.78
CC(C)(C(=O)[O-])C1CCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300002171350	0	51	0.0	-76.90	352.43	10.34	-66.56
O=C([O-])COC1=CC=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300002172649	0	51	0.0	-85.26	401.29	10.98	-74.28
O=C([O-])COC1=CC=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300002173374	0	48	0.0	-67.62	378.07	9.88	-57.74
O=C([O-])COC1=CC=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300002173374	1	48	0.0	-74.57	378.14	9.88	-64.69
O=C([O-])COC1=CC=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300002174322	0	45	0.0	-80.55	349.63	8.61	-71.94
O=C([O-])COC1=CC=CC(NC(=O)C2CCC[N@@H+]2C2CC2)=C1	REAL300002174352	0	42	0.0	-68.64	333.25	7.74	-60.90
O=C([O-])COC1=CC=CC(NC(=O)C2CCC[N@H+]2C2CC2)=C1	REAL300002174352	1	42	0.0	-80.02	332.63	7.79	-72.23
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=CC(OCC(=O)[O-])=C3)CN21	REAL300002174358	1	43	0.0	-71.28	347.87	8.47	-62.81
O=C([O-])COC1=CC=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=C1	REAL300002174359	0	51	0.0	-71.82	395.72	10.42	-61.40
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=CC(OCC(=O)[O-])=C3)CC2)=CS1	REAL300002174438	1	50	0.0	-84.48	408.32	8.68	-75.80
CC(C(=O)NC1=CC=CC(OCC(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300002174439	1	46	0.0	-75.96	353.76	5.59	-70.37
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300002174526	0	54	0.0	-84.54	434.24	10.51	-74.03
CC1(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002174540	0	54	0.0	-69.10	414.29	11.38	-57.72
O=C([O-])COC1=CC=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=C1	REAL300002174600	0	36	0.0	-77.84	310.61	9.26	-68.58
C[NH+](C)CC1(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)CCCCC1	REAL300002174633	0	50	0.0	-69.86	362.97	9.25	-60.61
C[N@H+](CCC(=O)NC1=CC=CC(OCC(=O)[O-])=C1)C1CCCCC1	REAL300002174638	0	50	0.0	-78.89	378.86	9.35	-69.54
C[N@@H+](CCC(=O)NC1=CC=CC(OCC(=O)[O-])=C1)C1CCCCC1	REAL300002174638	1	50	0.0	-79.33	378.85	9.36	-69.97
O=C([O-])COC1=CC=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)=C1	REAL300002174660	1	48	0.0	-78.37	384.42	9.96	-68.41
O=C([O-])COC1=CC=CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=C1	REAL300002174660	1	48	0.0	-74.56	390.34	10.46	-64.10
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C1	REAL300002174718	0	44	0.0	-88.24	369.52	8.39	-79.85
O=C([O-])COC1=CC=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=C1	REAL300002174745	0	51	0.0	-65.60	377.05	9.52	-56.08
O=C([O-])COC1=CC=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=C1	REAL300002174745	1	51	0.0	-67.38	373.11	9.68	-57.70
O=C([O-])COC1=CC=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=C1	REAL300002174746	0	52	0.0	-75.20	385.43	7.88	-67.32
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=CC(OCC(=O)[O-])=C1	REAL300002174777	1	42	0.0	-75.11	351.41	8.67	-66.44
O=C([O-])COC1=CC=CC(NC(=O)CCCC[NH+]2CCOCC2)=C1	REAL300002174778	1	48	0.0	-81.74	378.71	7.36	-74.38
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C=C1)C(C)C	REAL300002174780	0	53	0.0	-85.53	406.25	10.87	-74.66
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C=C1)C(C)C	REAL300002174780	1	53	0.0	-86.29	398.04	10.56	-75.73
O=C([O-])COC1=CC=CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300002174805	0	48	0.0	-77.93	383.54	10.13	-67.80
O=C([O-])COC1=CC=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300002174805	1	48	0.0	-79.21	385.25	10.26	-68.95
O=C([O-])COC1=CC=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=C1	REAL300002174806	0	49	0.0	-88.26	383.99	9.63	-78.63
C[NH+]1CCN(C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C2=CC=CC=C2)CC1	REAL300002174834	1	53	0.0	-75.08	414.27	9.06	-66.02
O=C([O-])COC1=CC=CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=C1	REAL300002174835	0	52	0.0	-80.02	376.91	7.61	-72.41
CCC(C(=O)NC1=CC=CC(OCC(=O)[O-])=C1)[NH+](CC)CC	REAL300002174839	0	46	0.0	-65.01	344.96	8.18	-56.83
CC(C(=O)NC1=CC=CC(OCC(=O)[O-])=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002174841	1	47	0.0	-78.19	374.93	9.75	-68.44
CC(C(=O)NC1=CC=CC(OCC(=O)[O-])=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002174841	1	47	0.0	-78.03	375.09	9.74	-68.29
O=C([O-])COC1=CC=CC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=C1	REAL300002174852	0	54	0.0	-76.48	423.65	11.81	-64.67
O=C([O-])COC1=CC=CC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=C1	REAL300002174852	1	54	0.0	-81.87	423.63	11.81	-70.06
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300002174878	0	43	0.0	-85.68	354.38	7.76	-77.92
CCC[NH+](CCC)CCCC(=O)NC1=CC=CC(OCC(=O)[O-])=C1	REAL300002174889	0	52	0.0	-77.68	398.59	9.69	-67.99
O=C([O-])COC1=CC=CC(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)=C1	REAL300002174890	1	52	0.0	-76.94	408.46	7.72	-69.22
CC[N@H+](C)C(C(=O)NC1=CC=CC(OCC(=O)[O-])=C1)C1=CC=CC=C1	REAL300002174891	1	47	0.0	-72.71	373.83	9.89	-62.82
CC[N@@H+](C)C(C(=O)NC1=CC=CC(OCC(=O)[O-])=C1)C1=CC=CC=C1	REAL300002174891	1	47	0.0	-72.49	373.10	9.88	-62.61
CC[NH+](CC)C(C(=O)NC1=CC=CC(OCC(=O)[O-])=C1)C1=CC=CC=C1	REAL300002174896	0	50	0.0	-76.31	378.89	10.00	-66.31
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=CC(OCC(=O)[O-])=C1	REAL300002174903	1	42	0.0	-70.52	346.09	8.49	-62.03
C[NH+](C)C(C(=O)NC1=CC=CC(OCC(=O)[O-])=C1)C1=CC=C(Cl)C=C1	REAL300002174907	1	44	0.0	-77.70	371.90	9.77	-67.93
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=C1	REAL300002174920	0	48	0.0	-88.42	383.40	10.40	-78.02
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=C1	REAL300002174927	0	51	0.0	-79.28	400.17	11.10	-68.18
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=CC(OCC(=O)[O-])=C3)CC2)CC1	REAL300002174933	0	59	0.0	-82.23	431.11	8.46	-73.77
CC1C[NH+](CC2=CC=C(C(=O)NC3=CC=CC(OCC(=O)[O-])=C3)C=C2)CC(C)O1	REAL300002174941	1	55	0.0	-91.78	433.15	10.14	-81.64
O=C([O-])COC1=CC=CC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300002174954	1	52	0.0	-90.42	407.74	10.17	-80.25
O=C([O-])COC1=CC=CC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300002174954	1	52	0.0	-85.48	414.80	10.23	-75.25
O=C([O-])COC1=CC=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300002174970	0	51	0.0	-70.68	389.49	10.72	-59.96
O=C([O-])COC1=CC=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300002174970	1	51	0.0	-75.08	398.30	10.95	-64.13
CC1=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002174972	1	42	0.0	-84.70	355.99	7.66	-77.04
O=C([O-])COC1=CC=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=C1	REAL300002174980	0	51	0.0	-88.67	400.15	11.10	-77.57
O=C([O-])COC1=CC=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=C1	REAL300002174993	1	44	0.0	-82.98	364.66	7.96	-75.02
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300002174994	0	47	0.0	-90.62	380.80	10.10	-80.52
O=C([O-])COC1=CC=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300002175007	1	49	0.0	-92.97	394.56	9.69	-83.28
O=C([O-])COC1=CC=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300002175007	1	49	0.0	-77.82	387.86	9.52	-68.30
CC(C(=O)NC1=CC=CC(OCC(=O)[O-])=C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002175019	0	57	0.0	-74.80	438.66	12.24	-62.56
C[N@H+](CC(=O)NC1=CC=CC(OCC(=O)[O-])=C1)CC(C)(C)C	REAL300002175071	0	46	0.0	-74.89	349.13	8.18	-66.71
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CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C2)C=C1)C(C)C	REAL300002179810	1	49	0.0	-77.02	350.71	9.12	-67.90
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C[NH+](C)C(C(=O)N1CCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300002179901	1	40	0.0	-66.35	323.49	8.64	-57.71
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CCN1CCC([NH+]2CCC(C(=O)N3CCC(C(=O)[O-])C3)CC2)CC1	REAL300002179923	0	55	0.0	-74.56	393.41	7.75	-66.81
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C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)N1CCC(C(=O)[O-])C1	REAL300002179972	1	57	0.0	-72.82	432.49	13.27	-59.55
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CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])C1	REAL300002179981	1	54	0.0	-62.90	395.17	10.72	-52.18
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CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300002180039	0	51	0.0	-69.96	375.79	6.94	-63.02
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C(=O)[O-])C2)CC1	REAL300002180039	1	51	0.0	-72.76	372.31	6.74	-66.02
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CC(C(=O)N1CCC(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002180050	0	44	0.0	-66.53	334.21	9.26	-57.27
CC(C(=O)N1CCC(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002180050	1	44	0.0	-65.77	335.17	9.22	-56.55
CC(C(=O)N1CCC(C(=O)[O-])C1)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300002180052	1	49	0.0	-70.05	372.93	8.11	-61.94
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O=C([O-])C1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300002180088	1	43	0.0	-62.17	332.50	7.36	-54.81
O=C([O-])C1CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300002180088	1	43	0.0	-62.22	331.53	7.17	-55.05
O=C([O-])C1CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300002180090	0	48	0.0	-75.55	369.51	7.71	-67.84
O=C([O-])C1CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300002180122	0	52	0.0	-77.03	390.21	8.97	-68.06
O=C([O-])C1CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300002180122	1	52	0.0	-73.83	389.57	9.41	-64.42
CC(C)[N@@H+]1CCC(C(=O)N2CCC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300002180124	0	53	0.0	-71.98	378.15	8.04	-63.94
CC(C)[N@H+]1CCC(C(=O)N2CCC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300002180124	1	53	0.0	-71.87	385.24	8.53	-63.34
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(C(=O)[O-])C2)C=N1	REAL300002180125	0	47	0.0	-81.65	365.39	7.67	-73.98
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(C(=O)[O-])C2)C=N1	REAL300002180125	1	47	0.0	-77.50	351.20	7.37	-70.13
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(C(=O)[O-])C3)=C2)CC1	REAL300002180128	0	49	0.0	-72.00	369.86	7.34	-64.66
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(C(=O)[O-])C3)C=C2)CC1	REAL300002180129	0	49	0.0	-76.47	369.87	7.35	-69.12
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])C3)C=C2)CC1	REAL300002180129	1	49	0.0	-81.56	369.15	7.22	-74.34
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300002180130	0	50	0.0	-78.58	375.98	9.04	-69.54
O=C([O-])C1CCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300002180164	0	51	0.0	-83.24	384.31	7.08	-76.16
O=C([O-])C1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002180166	0	47	0.0	-58.96	359.12	9.98	-48.98
O=C([O-])C1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002180166	1	47	0.0	-70.01	349.53	9.91	-60.10
O=C([O-])C1CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002180209	0	45	0.0	-68.27	350.77	6.39	-61.88
O=C([O-])C1CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002180209	1	45	0.0	-68.16	350.96	6.36	-61.80
C[NH+](C)CC1=C(C(=O)N2CCC(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300002180212	0	43	0.0	-60.39	341.47	8.78	-51.61
CC[NH+](CC)C(C(=O)N1CCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300002180214	0	49	0.0	-66.17	376.02	10.61	-55.56
O=C([O-])C1CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300002180236	1	45	0.0	-60.38	347.67	9.68	-50.70
CC(C)C(C(=O)N1CCC(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300002180237	1	50	0.0	-63.63	357.77	7.67	-55.96
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])C3)=CC=C1N2	REAL300002180255	1	45	0.0	-83.01	346.25	8.31	-74.70
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])C3)=CC=C1N2	REAL300002180255	1	45	0.0	-83.57	345.89	8.30	-75.27
CC1=CC=C(N2CCC(C(=O)N3CCC(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300002180295	1	46	0.0	-71.05	352.06	7.87	-63.18
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(C(=O)[O-])C3)C=C2)CC1	REAL300002180298	0	52	0.0	-78.93	378.89	8.26	-70.67
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])C1	REAL300002180326	0	47	0.0	-76.72	360.45	9.79	-66.93
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])C1	REAL300002180326	1	47	0.0	-76.41	360.36	9.79	-66.62
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300002180339	0	48	0.0	-79.30	381.01	9.39	-69.91
O=C([O-])C1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300002180351	0	44	0.0	-75.36	341.07	8.52	-66.84
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002180369	0	46	0.0	-71.60	348.29	7.93	-63.67
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002180369	1	46	0.0	-65.18	348.18	7.96	-57.22
O=C([O-])C1CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300002180513	0	48	0.0	-77.58	362.92	10.18	-67.40
O=C([O-])C1CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300002180513	1	48	0.0	-77.91	365.54	10.12	-67.79
O=C([O-])C1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300002180539	1	47	0.0	-70.79	354.40	9.82	-60.97
O=C([O-])C1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300002180539	1	47	0.0	-67.62	361.69	10.04	-57.58
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300002180855	0	44	0.0	-80.08	340.85	7.68	-72.40
O=C([O-])C1CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002180899	0	50	0.0	-70.79	378.65	10.90	-59.89
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])C3)C=C2)CCO1	REAL300002180901	1	48	0.0	-81.31	369.10	8.28	-73.03
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])C3)C=C2)CCO1	REAL300002180901	1	48	0.0	-82.59	365.19	8.14	-74.45
CC(C)(C)[N@@H+]1CC[C@H](C(=O)N2CCC(C(=O)[O-])C2)[C@@H](C2=CC=C(F)C=C2F)C1	REAL300002180939	0	56	0.0	-63.22	417.20	11.25	-51.97
CC(C)(C)[N@H+]1CC[C@H](C(=O)N2CCC(C(=O)[O-])C2)[C@@H](C2=CC=C(F)C=C2F)C1	REAL300002180939	1	56	0.0	-63.22	417.20	11.25	-51.97
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300002182321	0	57	0.0	-77.44	432.22	10.96	-66.48
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300002182321	1	57	0.0	-76.26	427.88	10.57	-65.69
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300002183085	0	54	0.0	-81.99	399.22	9.26	-72.73
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300002183108	0	51	0.0	-69.59	377.13	8.37	-61.22
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCC[N@H+]1C1CC1	REAL300002183108	1	51	0.0	-72.43	379.26	8.61	-63.82
CC1=[NH+]C=C2CCC(C(=O)N(C)CC(=O)N3CCCC(C(=O)[O-])C3)CN12	REAL300002183114	1	52	0.0	-73.59	394.97	8.96	-64.63
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCCC[N@@H+]1C	REAL300002183189	0	50	0.0	-77.96	358.20	7.54	-70.42
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCCC[N@H+]1C	REAL300002183189	1	50	0.0	-69.79	371.89	8.08	-61.71
CC(C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300002183190	1	55	0.0	-79.89	399.65	6.13	-73.76
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)[C@@H]1CCCC[N@@H+]1C	REAL300002183227	0	50	0.0	-72.22	359.21	7.55	-64.67
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)[C@@H]1CCCC[N@H+]1C	REAL300002183227	1	50	0.0	-76.19	369.03	7.95	-68.24
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CC[NH+](C)CC1	REAL300002183306	0	50	0.0	-85.14	369.92	7.84	-77.30
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300002183371	0	59	0.0	-79.68	428.72	10.07	-69.61
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300002183371	1	59	0.0	-79.90	428.72	10.06	-69.84
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCC[N@@H+]1C	REAL300002183386	0	47	0.0	-73.01	353.76	7.34	-65.67
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCC[N@H+]1C	REAL300002183386	1	47	0.0	-77.88	349.10	6.98	-70.90
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002183439	0	53	0.0	-88.86	417.47	8.76	-80.10
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300002183457	0	60	0.0	-72.43	419.91	10.08	-62.35
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCCC[N@H+]1C1CCCC1	REAL300002183457	1	60	0.0	-74.27	421.24	10.12	-64.15
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002183458	0	61	0.0	-82.77	430.59	8.30	-74.47
CC1=[NH+]C=CN1CCCC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002183493	1	51	0.0	-78.02	401.01	9.38	-68.64
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)CCCC[NH+]1CCOCC1	REAL300002183494	1	57	0.0	-83.33	428.59	8.08	-75.25
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300002183499	0	47	0.0	-74.30	354.89	7.35	-66.95
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)[C@H]1CCC[N@H+]1C	REAL300002183499	1	47	0.0	-71.55	349.40	6.99	-64.56
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1([NH+](C)C)CC1	REAL300002183508	1	47	0.0	-75.20	351.24	6.86	-68.34
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002183550	0	57	0.0	-80.00	435.16	10.92	-69.08
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002183550	1	57	0.0	-81.10	432.40	10.83	-70.27
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002183551	0	58	0.0	-90.03	424.74	9.76	-80.27
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002183573	0	61	0.0	-79.85	426.82	8.39	-71.46
CCC(C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)[NH+](CC)CC	REAL300002183577	0	55	0.0	-71.28	391.19	8.62	-62.66
CC(C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300002183579	1	56	0.0	-77.23	423.81	10.39	-66.84
CC(C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002183579	1	56	0.0	-77.65	422.94	10.39	-67.26
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300002183609	0	52	0.0	-85.21	402.18	7.74	-77.47
CCC[NH+](CCC)CCCC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002183614	0	61	0.0	-79.70	448.11	10.40	-69.30
CC[N@H+](C)C(C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002183615	1	56	0.0	-68.96	410.26	10.26	-58.70
CC[N@@H+](C)C(C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002183615	1	56	0.0	-76.91	414.95	10.46	-66.45
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1C[N@H+](C)CCO1	REAL300002183617	1	48	0.0	-86.11	364.21	6.74	-79.37
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1C[N@@H+](C)CCO1	REAL300002183617	1	48	0.0	-82.67	364.69	6.75	-75.92
CC[NH+](CC)C(C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002183619	0	59	0.0	-66.10	420.81	10.49	-55.61
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002183628	1	51	0.0	-72.03	396.05	9.19	-62.84
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002183643	0	57	0.0	-91.41	429.35	10.72	-80.69
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1(C[NH+](C)C)CC1	REAL300002183651	0	50	0.0	-86.28	377.88	7.99	-78.29
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)CCCC[NH+](C)C	REAL300002183659	0	52	0.0	-82.65	395.39	8.61	-74.04
CC(C)C(C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)[NH+](C)C	REAL300002183667	0	52	0.0	-72.22	373.08	8.17	-64.05
CC1=C(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300002183677	1	51	0.0	-88.91	400.91	7.97	-80.94
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002183695	1	53	0.0	-86.23	410.99	8.86	-77.37
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300002183696	0	56	0.0	-94.00	427.04	10.42	-83.58
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002183705	1	49	0.0	-73.45	380.41	7.04	-66.41
CCC[N@H+](C)CC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002183715	0	49	0.0	-75.61	369.54	7.84	-67.77
CCC[N@@H+](C)CC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002183715	1	49	0.0	-75.52	369.55	7.84	-67.68
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C[N@H+](C)C1CCC1	REAL300002183737	0	50	0.0	-73.10	376.55	8.42	-64.68
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C[N@@H+](C)C1CCC1	REAL300002183737	1	50	0.0	-73.89	376.42	8.42	-65.47
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300002183762	0	55	0.0	-74.70	399.94	8.92	-65.78
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300002183762	1	55	0.0	-75.54	398.15	8.83	-66.71
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300002183764	1	56	0.0	-78.93	429.46	10.87	-68.06
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300002183764	1	56	0.0	-79.04	429.45	10.88	-68.16
COCCOCC[N@H+](C)CCC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002183765	0	60	0.0	-78.58	458.48	7.10	-71.48
COCCOCC[N@@H+](C)CCC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002183765	1	60	0.0	-79.05	458.50	7.11	-71.94
CC[C@@H](C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)[NH+](C)C	REAL300002183769	0	49	0.0	-69.92	359.24	7.44	-62.48
CCCCCC[N@H+](C)CC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002183791	0	58	0.0	-76.77	434.05	10.19	-66.58
CCCCCC[N@@H+](C)CC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002183791	1	58	0.0	-76.59	434.02	10.20	-66.39
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C12CCC[NH+]1CCC2	REAL300002183801	0	51	0.0	-72.17	367.91	7.81	-64.36
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300002183809	1	45	0.0	-85.01	365.25	9.84	-75.17
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C[N@H+](C)C1CCSC1	REAL300002183820	0	51	0.0	-80.07	389.36	8.66	-71.41
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C[N@@H+](C)C1CCSC1	REAL300002183820	1	51	0.0	-80.84	389.53	8.68	-72.16
CC(C)[NH+]1CCN(CCC(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002183835	0	61	0.0	-78.82	440.55	7.27	-71.55
CC(C)N1CC[NH+](CCC(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002183835	1	61	0.0	-78.64	442.48	7.49	-71.15
CC(C)[NH+]1CCN(CCCC(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002183836	0	64	0.0	-79.86	467.16	8.46	-71.40
CC(C)N1CC[NH+](CCCC(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002183836	1	64	0.0	-80.36	463.48	8.24	-72.12
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300002183837	0	54	0.0	-70.36	392.69	9.13	-61.23
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCCC2CCC[N@H+]21	REAL300002183837	1	54	0.0	-71.30	383.10	8.58	-62.72
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300002183839	0	53	0.0	-90.81	409.73	7.58	-83.23
CC(C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002183850	1	57	0.0	-73.67	426.03	10.75	-62.92
CC(C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002183850	1	57	0.0	-78.83	424.84	10.79	-68.04
CCCC(C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)[NH+](C)C	REAL300002183869	0	52	0.0	-79.35	380.85	8.24	-71.11
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300002183884	0	53	0.0	-95.16	412.82	8.24	-86.92
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300002183885	0	53	0.0	-76.14	404.84	7.63	-68.51
C[C@@H]1[C@H](C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)CC[N@@H+]1C	REAL300002183888	0	50	0.0	-77.87	363.68	7.64	-70.23
C[C@@H]1[C@H](C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)CC[N@H+]1C	REAL300002183888	1	50	0.0	-79.12	369.44	7.69	-71.43
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002183890	1	54	0.0	-73.14	416.27	9.69	-63.45
CC[C@@H]1[C@@H](C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)CC[N@@H+]1C	REAL300002183893	0	53	0.0	-77.95	387.61	8.08	-69.87
CC[C@@H]1[C@@H](C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)CC[N@H+]1C	REAL300002183893	1	53	0.0	-80.21	387.08	8.43	-71.78
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300002183895	1	54	0.0	-89.13	414.83	7.80	-81.33
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300002183895	1	54	0.0	-88.35	413.83	7.85	-80.50
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002183896	1	49	0.0	-68.86	374.87	8.22	-60.64
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002183896	1	49	0.0	-73.39	377.99	8.46	-64.93
CC1C[N@H+](C)CC(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300002183902	1	51	0.0	-88.26	376.75	7.25	-81.01
CC1C[N@@H+](C)CC(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300002183902	1	51	0.0	-93.80	384.22	7.44	-86.36
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C[NH+]1CCCC1	REAL300002183910	0	47	0.0	-75.01	355.80	7.56	-67.45
CC1=[NH+]C=CN1CC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002183912	1	45	0.0	-71.34	359.72	8.04	-63.30
CC(C[NH+]1CCOCC1)C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002183914	0	54	0.0	-70.01	396.47	7.01	-63.00
CC1CC[NH+](CC(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002183933	0	53	0.0	-76.04	393.37	8.92	-67.12
CC[N@@H+]1CCOC(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300002183944	1	51	0.0	-90.03	380.96	7.37	-82.66
CC[N@H+]1CCOC(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300002183944	1	51	0.0	-86.83	375.04	7.24	-79.59
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)CCC1CCC[N@@H+]1C	REAL300002183985	0	53	0.0	-77.39	392.89	8.52	-68.87
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)CCC1CCC[N@H+]1C	REAL300002183985	1	53	0.0	-83.31	398.87	9.02	-74.29
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C12CCC[NH+](CCC1)C2	REAL300002183997	0	54	0.0	-80.46	377.65	8.13	-72.33
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1(C)CC(O)C[N@@H+]1C	REAL300002183999	1	51	0.0	-80.11	372.41	3.98	-76.13
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1(C)CC(O)C[N@H+]1C	REAL300002183999	1	51	0.0	-69.30	362.40	3.94	-65.36
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300002184000	0	54	0.0	-70.97	395.55	9.25	-61.72
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCC2CCCC[N@H+]21	REAL300002184000	1	54	0.0	-72.86	395.34	9.25	-63.61
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C(C)(C)C[NH+]1CCOCC1	REAL300002184007	0	57	0.0	-79.45	400.42	7.11	-72.34
CC[NH+](CC)CC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002184022	0	49	0.0	-73.93	361.61	7.51	-66.42
CCC(C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)[NH+](C)C	REAL300002184103	0	49	0.0	-75.22	355.89	7.28	-67.94
CC1CCC(C)[NH+]1CC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002184152	0	53	0.0	-72.59	387.27	8.44	-64.15
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC(C[NH+](C)C)=CC=C1	REAL300002184153	0	53	0.0	-83.58	405.85	9.58	-74.00
C#CC[NH+]1CCC(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002184214	0	52	0.0	-80.75	395.79	9.05	-71.70
CCC[N@@H+]1CCCCC1C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002184216	0	56	0.0	-75.54	410.48	9.44	-66.10
CCC[N@H+]1CCCCC1C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002184216	1	56	0.0	-70.23	411.29	9.46	-60.77
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=CC=C1C[NH+](C)C	REAL300002184217	0	53	0.0	-63.28	401.68	9.85	-53.43
CC(C)[N@H+](C)CC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002184219	0	49	0.0	-73.84	364.75	7.62	-66.22
CC(C)[N@@H+](C)CC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002184219	1	49	0.0	-72.68	364.73	7.63	-65.05
CC(C)C(C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300002184220	0	59	0.0	-77.47	415.35	9.84	-67.63
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300002184221	1	53	0.0	-69.28	397.91	9.64	-59.64
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002184229	1	54	0.0	-73.28	415.72	9.63	-63.65
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCC[N@@H+]1C1CCCC1	REAL300002184236	0	57	0.0	-74.39	410.22	9.83	-64.56
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCC[N@H+]1C1CCCC1	REAL300002184236	1	57	0.0	-74.51	413.53	9.88	-64.63
CC[N@H+](CC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)C1CC1	REAL300002184238	0	50	0.0	-72.93	376.67	8.41	-64.52
CC[N@@H+](CC(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)C1CC1	REAL300002184238	1	50	0.0	-73.54	376.14	8.46	-65.08
CC(C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300002184263	0	56	0.0	-71.04	398.90	9.16	-61.88
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)[C@@H]1CCC[N@@H+]1C	REAL300002184266	0	47	0.0	-80.11	349.63	6.98	-73.13
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)[C@@H]1CCC[N@H+]1C	REAL300002184266	1	47	0.0	-73.53	356.54	7.36	-66.17
CC[NH+](CC)CC1=CC=C(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300002184345	0	56	0.0	-85.33	426.77	9.72	-75.61
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)CCCC[NH+]1CCCC1	REAL300002184346	0	56	0.0	-80.33	421.64	9.79	-70.54
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300002184348	1	53	0.0	-79.18	406.97	10.04	-69.14
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300002184348	1	53	0.0	-79.52	406.97	10.03	-69.49
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300002184375	1	48	0.0	-87.14	384.10	7.51	-79.63
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300002184398	1	49	0.0	-87.08	386.26	7.71	-79.37
CC(C)[N@@H+]1CCCC1C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002184412	0	53	0.0	-72.71	386.93	8.41	-64.30
CC(C)[N@H+]1CCCC1C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002184412	1	53	0.0	-67.88	373.30	8.34	-59.54
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)COC1CC[NH+](C)CC1	REAL300002184434	0	54	0.0	-87.66	409.99	8.60	-79.06
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002184438	0	57	0.0	-87.10	433.71	10.24	-76.86
CCC[N@@H+]1CCCC(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300002184608	0	56	0.0	-73.31	404.07	9.42	-63.89
CCC[N@H+]1CCCC(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300002184608	1	56	0.0	-76.80	409.08	9.20	-67.60
CC(C)C[N@@H+]1CCCC1C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002184636	0	56	0.0	-76.33	409.15	9.12	-67.21
CC(C)C[N@H+]1CCCC1C(=O)N(C)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002184636	1	56	0.0	-75.10	411.94	9.49	-65.61
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C[NH+]1CCC(CO)CC1	REAL300002184637	1	54	0.0	-76.43	403.83	5.62	-70.81
CC(C)[N@@H+]1CCCC(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300002184835	0	56	0.0	-71.35	395.35	9.03	-62.32
CC(C)[N@H+]1CCCC(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300002184835	1	56	0.0	-67.87	399.63	9.29	-58.58
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300002184836	0	50	0.0	-74.56	384.08	7.75	-66.81
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300002184836	1	50	0.0	-81.52	379.96	7.87	-73.65
CC1=C(C)[NH+]=C(CCC(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)N1	REAL300002184859	1	51	0.0	-73.23	400.55	7.76	-65.47
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC(CC[NH+](C)C)=CC=C1	REAL300002185308	0	56	0.0	-85.16	428.34	10.42	-74.74
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300002185313	0	57	0.0	-92.23	434.30	9.37	-82.86
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300002185445	0	50	0.0	-84.17	379.67	8.18	-75.99
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300002185449	0	56	0.0	-83.13	398.83	8.89	-74.24
CC1=[NH+]C=C2C=CC(C(=O)N(C)CC(=O)N3CCCC(C(=O)[O-])C3)=CN21	REAL300002185453	0	48	0.0	-80.91	386.54	9.60	-71.31
CC(C)C[N@@H+]1CCCC(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300002185513	0	59	0.0	-76.69	427.78	9.94	-66.75
CC(C)C[N@H+]1CCCC(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300002185513	1	59	0.0	-76.91	427.68	9.93	-66.98
CC[N@@H+]1CCCC(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300002185514	0	53	0.0	-72.85	382.07	8.65	-64.20
CC[N@H+]1CCCC(C(=O)N(C)CC(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300002185514	1	53	0.0	-68.47	382.37	8.74	-59.73
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCC[N@H+](C)C1	REAL300002185519	0	50	0.0	-69.54	363.43	7.99	-61.55
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1CCC[N@@H+](C)C1	REAL300002185519	1	50	0.0	-73.55	364.42	8.00	-65.55
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300002185521	1	50	0.0	-88.74	391.07	8.26	-80.48
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300002185527	0	59	0.0	-82.41	405.58	8.73	-73.68
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300002185527	1	59	0.0	-83.09	411.21	9.09	-74.00
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C12CC(C1)CN2C1CC1	REAL300002185530	0	52	0.0	-78.94	380.72	9.57	-69.37
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002185530	1	52	0.0	-75.81	384.94	9.00	-66.81
CN(CC(=O)N1CCCC(C(=O)[O-])C1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300002185530	1	52	0.0	-78.94	380.72	9.57	-69.37
CCCCCCC(C)(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002186554	0	61	0.0	-73.34	447.65	12.78	-60.56
CCCCCCC(C)(NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300002187838	0	55	0.0	-67.38	400.42	10.62	-56.76
CCCCCCC(C)(NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C(=O)[O-]	REAL300002187864	1	53	0.0	-61.22	394.91	10.31	-50.91
CCCCCCC(C)(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300002187927	1	60	0.0	-73.79	455.11	10.54	-63.25
CCCCCCC(C)(NC(=O)C(C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300002187928	1	56	0.0	-68.64	399.90	7.33	-61.31
CCCCCCC(C)(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002187999	0	64	0.0	-80.32	480.64	12.30	-68.02
CCCCCCC(C)(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)[O-]	REAL300002188055	0	46	0.0	-68.94	356.72	11.07	-57.87
CCCCCCC(C)(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300002188083	0	60	0.0	-72.30	402.94	11.71	-60.59
CCCCCCC(C)(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002188087	0	60	0.0	-64.46	424.98	11.15	-53.31
CCCCCCC(C)(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002188087	1	60	0.0	-63.71	424.98	11.13	-52.58
CCCCCCC(C)(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002188146	0	54	0.0	-79.34	415.71	10.19	-69.15
CCCCCCC(C)(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002188161	0	62	0.0	-50.15	428.38	9.46	-40.69
CCCCCCC(C)(NC(=O)CCCN1C=C[NH+]=C1C)C(=O)[O-]	REAL300002188187	1	52	0.0	-65.98	397.54	10.46	-55.52
CCCCCCC(C)(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300002188188	1	58	0.0	-73.01	424.84	9.15	-63.86
CCCCCCC(C)(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002188189	0	63	0.0	-78.55	444.06	12.24	-66.31
CCCCCCC(C)(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002188189	1	63	0.0	-78.36	453.25	12.67	-65.69
CCCCCCC(C)(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002188213	0	58	0.0	-63.45	431.33	11.98	-51.47
CCCCCCC(C)(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002188213	1	58	0.0	-63.29	431.56	12.02	-51.27
CCCCCCC(C)(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002188214	0	59	0.0	-77.41	430.38	11.43	-65.98
CCCCCCC(C)(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002188242	0	62	0.0	-64.79	423.29	9.18	-55.61
CCCCCCC(C)(NC(=O)C(CC)[NH+](CC)CC)C(=O)[O-]	REAL300002188246	0	56	0.0	-49.69	392.83	9.74	-39.95
CCCCCCC(C)(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002188248	0	57	0.0	-54.98	420.43	11.48	-43.50
CCCCCCC(C)(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002188248	1	57	0.0	-59.89	421.35	11.51	-48.38
CCCCCCC(C)(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002188255	0	64	0.0	-58.01	463.96	13.73	-44.28
CCCCCCC(C)(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002188255	1	64	0.0	-67.05	470.20	13.61	-53.44
CCCCCCC(C)(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300002188268	0	53	0.0	-77.37	400.48	9.58	-67.79
CCCCCCC(C)(NC(=O)CCC[NH+](CCC)CCC)C(=O)[O-]	REAL300002188274	0	62	0.0	-67.43	444.66	11.48	-55.95
CCCCCCC(C)(NC(=O)CN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300002188283	1	52	0.0	-55.09	392.23	10.26	-44.83
CCCCCCC(C)(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002188297	0	58	0.0	-81.32	428.64	12.14	-69.18
CCCCCCC(C)(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002188302	0	61	0.0	-73.30	446.27	12.91	-60.39
CCCCCCC(C)(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300002188307	0	69	0.0	-71.49	477.48	10.26	-61.23
CCCCCCC(C)(NC(=O)CCCC[NH+](C)C)C(=O)[O-]	REAL300002188318	0	53	0.0	-72.12	391.93	9.68	-62.44
CCCCCCC(C)(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002188327	1	62	0.0	-77.49	454.11	11.76	-65.73
CCCCCCC(C)(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002188327	1	62	0.0	-77.56	454.12	11.77	-65.79
CCCCCCC(C)(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002188339	1	52	0.0	-79.01	400.72	9.35	-69.66
CCCCCCC(C)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002188342	0	61	0.0	-82.01	445.96	12.87	-69.14
CCCCCCC(C)(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300002188353	1	54	0.0	-76.30	409.97	9.68	-66.62
CCCCCCC(C)(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002188354	0	57	0.0	-86.92	427.20	11.90	-75.02
CCCCCCC(C)(NC(=O)C1=CC=C(C)[NH+]=C1NC)C(=O)[O-]	REAL300002188360	1	50	0.0	-56.89	375.85	8.55	-48.34
CCCCCCC(C)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002188361	1	59	0.0	-55.30	431.36	11.01	-44.29
CCCCCCC(C)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002188361	1	59	0.0	-55.31	431.45	11.01	-44.30
CCCCCCC(C)(NC(=O)C(C)[NH+]1CCSCC1)C(=O)[O-]	REAL300002188404	1	52	0.0	-56.97	380.57	9.17	-47.80
CCCCCCC(C)(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300002188410	0	56	0.0	-55.44	396.35	10.02	-45.42
CCCCCCC(C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300002188410	1	56	0.0	-55.83	394.40	9.90	-45.93
CCCCCCC(C)(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002188412	0	57	0.0	-58.53	425.71	11.92	-46.61
CCCCCCC(C)(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002188412	1	57	0.0	-58.50	425.70	11.92	-46.58
CCCCCCC(C)(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300002188413	0	61	0.0	-66.38	454.75	8.18	-58.20
CCCCCCC(C)(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300002188413	1	61	0.0	-64.27	454.70	8.16	-56.11
CCCCCCC(C)(NC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300002188416	0	55	0.0	-61.37	396.87	7.46	-53.91
CCCCCCC(C)(NC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300002188416	1	55	0.0	-54.81	387.18	7.26	-47.55
CCCCCC[N@H+](C)CC(=O)NC(C)(CCCCCC)C(=O)[O-]	REAL300002188427	0	59	0.0	-57.09	430.29	11.23	-45.86
CCCCCC[N@@H+](C)CC(=O)NC(C)(CCCCCC)C(=O)[O-]	REAL300002188427	1	59	0.0	-57.09	430.29	11.23	-45.86
CCCCCCC(C)(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300002188441	1	46	0.0	-77.07	356.99	11.09	-65.98
CCCCCCC(C)(NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300002188457	0	52	0.0	-59.44	385.90	9.70	-49.74
CCCCCCC(C)(NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300002188457	1	52	0.0	-59.03	387.29	9.71	-49.32
CCCCCCC(C)(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002188470	0	62	0.0	-70.98	441.92	8.73	-62.25
CCCCCCC(C)(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002188470	1	62	0.0	-63.32	438.23	8.52	-54.80
CCCCCCC(C)(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002188471	0	65	0.0	-68.72	463.42	9.53	-59.19
CCCCCCC(C)(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002188471	1	65	0.0	-66.97	459.73	9.32	-57.65
CCCCCCC(C)(NC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300002188472	0	55	0.0	-53.86	382.73	9.92	-43.94
CCCCCCC(C)(NC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300002188472	1	55	0.0	-50.48	391.10	10.31	-40.17
CCCCCCC(C)(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300002188474	0	54	0.0	-78.41	410.87	9.07	-69.34
CCCCCCC(C)(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002188478	0	63	0.0	-66.56	459.37	10.89	-55.67
CCCCCCC(C)(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002188480	0	60	0.0	-64.02	436.36	11.10	-52.92
CCCCCCC(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002188480	1	60	0.0	-66.50	442.55	10.88	-55.62
CCCCCCC(C)(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002188485	1	58	0.0	-56.92	421.60	12.04	-44.88
CCCCCCC(C)(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002188485	1	58	0.0	-57.47	421.60	12.04	-45.43
CCCCCCC(C)(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002188505	0	61	0.0	-69.92	448.91	12.66	-57.26
CCCCCCC(C)(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002188505	1	61	0.0	-71.02	452.03	12.77	-58.25
CCCCCCC(C)(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002188518	0	54	0.0	-88.18	411.24	9.10	-79.08
CCCCCCC(C)(NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300002188519	0	54	0.0	-54.33	406.22	9.01	-45.32
CCCCCCC(C)(NC(=O)CC(C)N1C=C[NH+]=C1CC)C(=O)[O-]	REAL300002188520	1	55	0.0	-60.05	412.52	10.68	-49.37
CCCCCCC(C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(=O)[O-]	REAL300002188523	0	54	0.0	-68.95	383.47	9.21	-59.74
CCCCCCC(C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(=O)[O-]	REAL300002188523	1	54	0.0	-63.99	388.45	9.52	-54.47
CCCCCCC(C)(NC(=O)C1C[N@H+](C)CC(C)O1)C(=O)[O-]	REAL300002188533	1	52	0.0	-79.53	378.41	8.35	-71.18
CCCCCCC(C)(NC(=O)C1C[N@@H+](C)CC(C)O1)C(=O)[O-]	REAL300002188533	1	52	0.0	-79.58	378.40	8.35	-71.23
CCCCCCC(C)(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002188537	0	61	0.0	-64.53	447.84	12.93	-51.60
CCCCCCC(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002188537	1	61	0.0	-66.66	454.08	12.80	-53.86
CCCCCCC(C)(NC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300002188542	1	55	0.0	-64.03	397.88	8.27	-55.76
CCCCCCC(C)(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002188543	0	62	0.0	-66.27	457.10	10.30	-55.97
CCCCCCC(C)(NC(=O)C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300002188553	0	54	0.0	-56.61	389.52	9.98	-46.63
CCCCCCC(C)(NC(=O)C1C[N@H+](CC)CCO1)C(=O)[O-]	REAL300002188566	1	52	0.0	-69.25	374.61	8.06	-61.19
CCCCCCC(C)(NC(=O)C1C[N@@H+](CC)CCO1)C(=O)[O-]	REAL300002188566	1	52	0.0	-77.09	381.73	8.28	-68.81
CCCCCCC(C)(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002188597	1	61	0.0	-79.06	444.11	10.98	-68.08
CCCCCCC(C)(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002188598	0	61	0.0	-59.59	432.05	11.46	-48.13
CCCCCCC(C)(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002188598	1	61	0.0	-65.34	431.82	11.40	-53.94
CCCCCCC(C)(NC(=O)CCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300002188604	0	54	0.0	-64.90	388.50	9.57	-55.33
CCCCCCC(C)(NC(=O)CCC1CCC[N@H+]1C)C(=O)[O-]	REAL300002188604	1	54	0.0	-70.54	390.14	9.89	-60.65
CCCCCCC(C)(NC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300002188615	0	55	0.0	-52.91	394.37	10.51	-42.40
CCCCCCC(C)(NC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300002188615	1	55	0.0	-53.02	394.33	10.46	-42.56
CCCCCCC(C)(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300002188628	0	63	0.0	-71.30	463.39	10.48	-60.82
CCCCCCC(C)(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002188629	0	63	0.0	-80.66	462.45	10.30	-70.36
CCCCCCC(C)(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300002188629	1	63	0.0	-82.64	462.79	10.36	-72.28
CCCCCCC(C)(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300002188630	0	64	0.0	-80.36	465.88	11.92	-68.44
CCCCCCC(C)(NC(=O)C1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002188638	0	57	0.0	-70.24	405.46	10.39	-59.85
CCCCCCC(C)(NC(=O)C12CC[N@H+](C1)CCC2)C(=O)[O-]	REAL300002188711	0	52	0.0	-68.75	368.14	8.78	-59.97
CCCCCCC(C)(NC(=O)C12CC[N@@H+](C1)CCC2)C(=O)[O-]	REAL300002188711	1	52	0.0	-66.93	368.69	8.71	-58.22
CCCCCCC(C)(NC(=O)C[NH+]1C(C)CCC1C)C(=O)[O-]	REAL300002188751	0	54	0.0	-51.42	379.70	9.26	-42.16
CCCCCCC(C)(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300002188752	0	54	0.0	-73.30	404.71	11.06	-62.24
CCCCCCC(C)(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002188753	0	61	0.0	-62.91	447.68	12.74	-50.17
CCCCCCC(C)(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002188753	1	61	0.0	-54.82	438.58	12.77	-42.05
C#CC[NH+]1CCC(C(=O)NC(C)(CCCCCC)C(=O)[O-])CC1	REAL300002188805	0	53	0.0	-72.66	395.85	10.36	-62.30
CCCCCCC(C)(NC(=O)CCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300002188807	0	59	0.0	-71.12	424.02	8.05	-63.07
CCCCCCC(C)(NC(=O)CC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300002188807	1	59	0.0	-62.81	425.18	8.19	-54.62
CCCCCCC(C)(NC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300002188814	1	55	0.0	-59.46	412.00	10.71	-48.75
CCCCCCC(C)(NC(=O)C(C)[NH+]1CCCCCC1)C(=O)[O-]	REAL300002188845	0	57	0.0	-51.94	396.20	10.26	-41.68
CCCCCCC(C)(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002188879	1	59	0.0	-81.39	439.50	11.50	-69.89
CCCCCCC(C)(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002188879	1	59	0.0	-81.22	439.71	11.47	-69.75
CCCCCCC(C)(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300002188920	0	57	0.0	-76.64	426.91	10.77	-65.87
CCCCCCC(C)(NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300002188921	0	57	0.0	-70.08	417.90	10.87	-59.21
CCCCCCC(C)(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300002188923	1	60	0.0	-70.17	440.60	10.63	-59.54
CCCCCCC(C)(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002188924	1	54	0.0	-59.77	403.23	11.07	-48.70
CCCCCCC(C)(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002188924	1	54	0.0	-59.30	403.22	11.07	-48.23
CCCCCCC(C)(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002188944	1	49	0.0	-77.14	385.84	9.03	-68.11
CCCCCCC(C)(NC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300002188967	1	50	0.0	-78.60	385.68	8.63	-69.97
CCCCCCC(C)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002188971	0	61	0.0	-63.44	441.94	12.33	-51.11
CCCCCCC(C)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002188971	1	61	0.0	-74.68	451.28	12.53	-62.15
CCCCCCC(C)(NC(=O)C1CCC[N@@H+]1C(C)C)C(=O)[O-]	REAL300002188987	0	54	0.0	-61.14	375.29	9.86	-51.28
CCCCCCC(C)(NC(=O)C1CCC[N@H+]1C(C)C)C(=O)[O-]	REAL300002188987	1	54	0.0	-54.02	384.85	9.58	-44.44
CCCCCCC(C)(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002188994	0	62	0.0	-83.32	469.04	12.04	-71.28
CCCCCCC(C)(NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300002189008	0	55	0.0	-77.26	406.52	9.28	-67.98
CCCCCCC(C)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002189013	0	58	0.0	-77.75	431.65	11.18	-66.57
CCCCCCC(C)(NC(=O)C1CCC[N@H+](CCC)C1)C(=O)[O-]	REAL300002189159	0	57	0.0	-50.01	401.22	10.61	-39.40
CCCCCCC(C)(NC(=O)C1CCC[N@@H+](CCC)C1)C(=O)[O-]	REAL300002189159	1	57	0.0	-50.02	401.21	10.61	-39.41
CCCCCCC(C)(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300002189187	1	55	0.0	-57.24	400.36	6.67	-50.57
CCCCCCC(C)(NC(=O)C1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300002189370	0	57	0.0	-55.28	399.21	10.47	-44.81
CCCCCCC(C)(NC(=O)C1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300002189370	1	57	0.0	-63.00	405.45	10.34	-52.66
CCCCCCC(C)(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002189371	0	51	0.0	-64.28	380.03	9.15	-55.13
CCCCCCC(C)(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002189371	1	51	0.0	-62.20	377.68	9.64	-52.56
CCCCCCC(C)(NC(=O)CCC1=[NH+]C(C)=C(C)N1)C(=O)[O-]	REAL300002189393	1	52	0.0	-59.47	396.80	8.84	-50.63
CCCCCCC(C)(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300002189785	0	57	0.0	-76.29	427.21	11.90	-64.39
CCCCCCC(C)(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002189793	0	58	0.0	-83.10	434.49	10.86	-72.24
CCCCCCC(C)(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002189885	0	64	0.0	-67.23	466.27	13.42	-53.81
CCCCCCC(C)(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002189887	1	62	0.0	-83.86	452.08	11.23	-72.63
CCCCCCC(C)(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002189887	1	62	0.0	-83.98	452.11	11.23	-72.75
CCCCCCC(C)(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)[O-]	REAL300002189918	0	57	0.0	-67.96	398.86	10.13	-57.83
CCCCCCC(C)(NC(=O)C1=CN2C(=C[NH+]=C2C)C=C1)C(=O)[O-]	REAL300002189922	0	49	0.0	-65.59	378.14	10.84	-54.75
CCCCCCC(C)(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300002189972	0	60	0.0	-64.81	428.01	11.26	-53.55
CCCCCCC(C)(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300002189972	1	60	0.0	-61.72	427.73	11.27	-50.45
CCCCCCC(C)(NC(=O)C1CCC[N@H+](CC)C1)C(=O)[O-]	REAL300002189973	0	54	0.0	-64.10	388.80	9.83	-54.27
CCCCCCC(C)(NC(=O)C1CCC[N@@H+](CC)C1)C(=O)[O-]	REAL300002189973	1	54	0.0	-55.15	382.53	9.95	-45.20
CCCCCCC(C)(NC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)[O-]	REAL300002189979	1	51	0.0	-79.90	390.05	9.31	-70.59
CCCCCCC(C)(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300002189986	0	53	0.0	-60.97	383.52	10.20	-50.77
CCCCCCC(C)(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300002189986	1	53	0.0	-65.24	381.84	10.71	-54.53
O=C([O-])C1=CC=C(OCCNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300002191161	0	54	0.0	-80.64	426.06	10.46	-70.18
O=C([O-])C1=CC=C(OCCNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1	REAL300002191832	0	51	0.0	-72.68	410.28	9.94	-62.74
O=C([O-])C1=CC=C(OCCNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1	REAL300002191832	1	51	0.0	-73.06	410.09	9.91	-63.15
O=C([O-])C1=CC=C(OCCNC(=O)C2CC[NH+](C3CC3)CC2)C=C1	REAL300002192757	0	48	0.0	-74.56	378.85	8.30	-66.26
O=C([O-])C1=CC=C(OCCNC(=O)C2CCC[N@@H+]2C2CC2)C=C1	REAL300002192784	0	45	0.0	-68.87	360.83	7.73	-61.14
O=C([O-])C1=CC=C(OCCNC(=O)C2CCC[N@H+]2C2CC2)C=C1	REAL300002192784	1	45	0.0	-68.90	360.24	7.71	-61.19
CC1=[NH+]C=C2CCC(C(=O)NCCOC3=CC=C(C(=O)[O-])C=C3)CN21	REAL300002192790	1	46	0.0	-69.28	372.61	7.98	-61.30
O=C([O-])C1=CC=C(OCCNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=C1	REAL300002192791	0	54	0.0	-72.86	428.75	10.42	-62.44
C[N@@H+]1CCCCC1C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002192873	0	44	0.0	-71.74	337.63	6.66	-65.08
C[N@H+]1CCCCC1C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002192873	1	44	0.0	-72.61	337.65	6.65	-65.96
CC(C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300002192874	1	49	0.0	-75.63	378.26	5.06	-70.57
C[N@@H+]1CCCC[C@H]1C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002192918	0	44	0.0	-71.52	346.97	6.82	-64.70
C[N@H+]1CCCC[C@H]1C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002192918	1	44	0.0	-72.57	337.66	6.66	-65.91
CC1(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002192976	0	57	0.0	-72.82	438.75	10.88	-61.94
C[NH+]1CCC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002193010	0	44	0.0	-77.37	349.59	6.89	-70.48
O=C([O-])C1=CC=C(OCCNC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1	REAL300002193036	0	39	0.0	-76.00	335.17	8.72	-67.28
C[NH+](C)CC1(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)CCCCC1	REAL300002193070	0	53	0.0	-74.56	389.68	8.89	-65.67
C[N@H+](CCC(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)C1CCCCC1	REAL300002193075	0	53	0.0	-76.05	403.41	8.81	-67.24
C[N@@H+](CCC(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)C1CCCCC1	REAL300002193075	1	53	0.0	-75.90	403.41	8.81	-67.09
O=C([O-])C1=CC=C(OCCNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C=C1	REAL300002193093	1	51	0.0	-77.34	416.31	9.99	-67.35
O=C([O-])C1=CC=C(OCCNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C=C1	REAL300002193093	1	51	0.0	-75.53	409.15	9.41	-66.12
C[NH+]1CCC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002193147	0	44	0.0	-77.37	349.59	6.89	-70.48
O=C([O-])C1=CC=C(OCCNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C1	REAL300002193152	0	47	0.0	-78.81	394.16	7.86	-70.95
O=C([O-])C1=CC=C(OCCNC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1	REAL300002193176	0	54	0.0	-68.39	401.87	9.00	-59.39
O=C([O-])C1=CC=C(OCCNC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1	REAL300002193176	1	54	0.0	-68.85	402.55	9.04	-59.81
O=C([O-])C1=CC=C(OCCNC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C1	REAL300002193177	0	55	0.0	-71.73	410.20	7.36	-64.37
CC1=[NH+]C=CN1CCCC(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002193210	1	45	0.0	-72.51	375.97	8.13	-64.38
O=C([O-])C1=CC=C(OCCNC(=O)CCCC[NH+]2CCOCC2)C=C1	REAL300002193211	1	51	0.0	-78.96	403.26	6.82	-72.14
CC[N@H+](CC1=CC=C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C=C1)C(C)C	REAL300002193214	0	56	0.0	-78.81	423.65	9.98	-68.83
CC[N@@H+](CC1=CC=C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C=C1)C(C)C	REAL300002193214	1	56	0.0	-77.46	422.51	9.91	-67.55
O=C([O-])C1=CC=C(OCCNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300002193263	0	51	0.0	-76.64	410.08	9.71	-66.93
O=C([O-])C1=CC=C(OCCNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300002193263	1	51	0.0	-77.18	408.56	9.66	-67.52
O=C([O-])C1=CC=C(OCCNC(=O)C2CC[NH+](C3CCSC3)CC2)C=C1	REAL300002193264	0	52	0.0	-82.09	404.79	8.88	-73.21
C[NH+]1CCN(C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C2)CC1	REAL300002193291	1	56	0.0	-74.20	438.41	8.53	-65.67
O=C([O-])C1=CC=C(OCCNC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C1	REAL300002193292	0	55	0.0	-75.58	401.74	7.08	-68.50
CCC(C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)[NH+](CC)CC	REAL300002193296	0	49	0.0	-68.66	371.26	7.60	-61.06
CC(C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002193298	0	50	0.0	-73.43	399.96	9.23	-64.20
CC(C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002193298	1	50	0.0	-74.25	399.89	9.22	-65.03
O=C([O-])C1=CC=C(OCCNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C=C1	REAL300002193310	0	57	0.0	-72.90	442.41	11.48	-61.42
O=C([O-])C1=CC=C(OCCNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C=C1	REAL300002193310	1	57	0.0	-78.57	448.65	11.28	-67.29
C[NH+](C)CC1=CC=C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300002193332	0	46	0.0	-79.72	378.93	7.25	-72.47
CCC[NH+](CCC)CCCC(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002193341	0	55	0.0	-75.60	427.56	9.45	-66.15
O=C([O-])C1=CC=C(OCCNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C=C1	REAL300002193342	1	55	0.0	-73.87	432.91	7.17	-66.70
CC[N@H+](C)C(C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002193343	0	50	0.0	-72.87	392.36	9.17	-63.70
CC[N@@H+](C)C(C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002193343	1	50	0.0	-71.67	392.53	9.23	-62.44
C[N@@H+]1CCOC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002193345	1	42	0.0	-81.73	342.38	5.68	-76.05
C[N@H+]1CCOC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002193345	1	42	0.0	-75.19	335.27	5.52	-69.67
CC[NH+](CC)C(C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002193348	0	53	0.0	-70.77	404.40	9.75	-61.02
CC(C)C1=[NH+]C=CN1CC(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002193357	1	45	0.0	-70.07	370.65	7.95	-62.12
C[NH+](C)C(C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(Cl)C=C1	REAL300002193362	1	47	0.0	-75.31	396.46	9.24	-66.07
O=C([O-])C1=CC=C(OCCNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1	REAL300002193375	0	51	0.0	-80.05	407.96	9.88	-70.17
O=C([O-])C1=CC=C(OCCNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=C1	REAL300002193383	0	54	0.0	-77.43	424.72	10.57	-66.86
C[NH+](C)CC1(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002193390	0	44	0.0	-75.62	356.63	7.01	-68.61
C[NH+](C)CCCCC(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002193400	0	46	0.0	-77.06	370.37	7.37	-69.69
CC(C)C(C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)[NH+](C)C	REAL300002193409	0	46	0.0	-71.99	354.45	7.46	-64.53
O=C([O-])C1=CC=C(OCCNC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300002193411	1	55	0.0	-83.90	432.54	9.72	-74.18
O=C([O-])C1=CC=C(OCCNC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300002193411	1	55	0.0	-81.90	439.33	9.76	-72.14
O=C([O-])C1=CC=C(OCCNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=C1	REAL300002193423	0	54	0.0	-70.63	423.68	10.38	-60.25
O=C([O-])C1=CC=C(OCCNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=C1	REAL300002193423	1	54	0.0	-71.78	423.62	10.38	-61.40
CC1=C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002193425	1	45	0.0	-83.57	380.76	7.12	-76.45
O=C([O-])C1=CC=C(OCCNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1	REAL300002193433	0	54	0.0	-80.51	424.41	10.53	-69.98
O=C([O-])C1=CC=C(OCCNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1	REAL300002193447	1	47	0.0	-81.96	388.41	7.32	-74.64
C[NH+](C)CCC1=CC=C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300002193448	0	50	0.0	-82.31	405.64	9.56	-72.75
CNC1=[NH+]C(C)=CC=C1C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002193460	1	43	0.0	-67.66	354.30	6.29	-61.37
O=C([O-])C1=CC=C(OCCNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300002193462	1	52	0.0	-80.65	411.97	9.10	-71.55
O=C([O-])C1=CC=C(OCCNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300002193462	1	52	0.0	-83.73	419.14	9.26	-74.47
C[N@H+](CC(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)C1CCC1	REAL300002193493	0	44	0.0	-72.03	351.22	7.21	-64.82
C[N@@H+](CC(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)C1CCC1	REAL300002193493	1	44	0.0	-72.46	351.12	7.20	-65.26
CC(C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCSCC1	REAL300002193519	1	45	0.0	-75.02	360.38	7.08	-67.94
C[N@H+](CC(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)CC(C)(C)C	REAL300002193525	0	49	0.0	-73.94	372.83	7.63	-66.31
C[N@@H+](CC(=O)NCCOC1=CC=C(C(=O)[O-])C=C1)CC(C)(C)C	REAL300002193525	1	49	0.0	-73.72	374.78	7.78	-65.94
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002193527	0	50	0.0	-78.22	404.14	9.66	-68.56
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002193527	1	50	0.0	-78.25	404.14	9.67	-68.58
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CC(C)[N@@H+]1CCCC1C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002194271	0	47	0.0	-69.28	366.82	7.44	-61.84
CC(C)[N@H+]1CCCC1C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002194271	1	47	0.0	-71.56	357.43	7.51	-64.05
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300002194279	0	55	0.0	-80.41	447.50	9.70	-70.71
C[NH+]1CCC(OCC(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002194298	0	48	0.0	-80.58	384.95	7.32	-73.26
O=C([O-])C1=CC=C(OCCNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1	REAL300002194303	0	51	0.0	-77.74	410.09	8.82	-68.92
CCC[N@@H+]1CCCC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002194501	0	50	0.0	-69.15	382.48	8.46	-60.69
CCC[N@H+]1CCCC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002194501	1	50	0.0	-69.45	382.50	8.46	-60.99
CC(C)C[N@@H+]1CCCC1C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002194534	0	50	0.0	-71.69	379.33	8.50	-63.19
CC(C)C[N@H+]1CCCC1C(=O)NCCOC1=CC=C(C(=O)[O-])C=C1	REAL300002194534	1	50	0.0	-71.97	378.97	8.49	-63.48
O=C([O-])C1=CC=C(OCCNC(=O)C[NH+]2CCC(CO)CC2)C=C1	REAL300002194535	1	48	0.0	-75.54	378.79	4.41	-71.13
O=C([O-])C1=CC=C(OCCNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C1	REAL300002194643	0	55	0.0	-79.19	434.52	10.73	-68.46
O=C([O-])C1=CC=C(OCCNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C1	REAL300002194643	1	55	0.0	-81.33	435.74	10.65	-70.68
CC(C)[N@@H+]1CCCC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002194777	0	50	0.0	-72.09	383.88	8.03	-64.06
CC(C)[N@H+]1CCCC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002194777	1	50	0.0	-72.39	383.90	8.03	-64.36
C[N@@H+]1CC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300002194778	0	44	0.0	-78.68	368.36	7.06	-71.62
C[N@H+]1CC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300002194778	1	44	0.0	-79.36	362.39	6.73	-72.63
CC1=C(C)[NH+]=C(CCC(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)N1	REAL300002194803	1	45	0.0	-70.01	375.24	6.52	-63.49
C[NH+](C)CCC1=CC=CC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300002195310	0	50	0.0	-79.86	405.65	9.55	-70.31
C[NH+](C)CCOC1=CC=C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300002195317	0	51	0.0	-79.89	412.95	8.51	-71.38
O=C([O-])C1=CC=C(OCCNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300002195415	0	57	0.0	-75.47	444.70	11.16	-64.31
CC1CN(CC2=CC=C(C(=O)NCCOC3=CC=C(C(=O)[O-])C=C3)C=C2)CCO1	REAL300002195417	0	55	0.0	-82.78	430.51	8.89	-73.89
CC1C[N@H+](CC2=CC=C(C(=O)NCCOC3=CC=C(C(=O)[O-])C=C3)C=C2)CCO1	REAL300002195417	1	55	0.0	-83.07	430.56	8.90	-74.17
CC1C[N@@H+](CC2=CC=C(C(=O)NCCOC3=CC=C(C(=O)[O-])C=C3)C=C2)CCO1	REAL300002195417	1	55	0.0	-83.07	430.56	8.90	-74.17
C[NH+](C)[C@H]1C[C@H](C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002195462	0	44	0.0	-74.86	354.74	6.94	-67.92
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002195466	0	50	0.0	-71.15	377.29	7.92	-63.23
CC1=[NH+]C=C2C=CC(C(=O)NCCOC3=CC=C(C(=O)[O-])C=C3)=CN21	REAL300002195470	0	42	0.0	-72.05	356.59	8.50	-63.55
CC(C)C[N@@H+]1CCCC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002195537	0	53	0.0	-73.23	406.19	8.94	-64.29
CC(C)C[N@H+]1CCCC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002195537	1	53	0.0	-69.59	399.91	9.14	-60.45
CC[N@@H+]1CCCC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002195538	0	47	0.0	-73.30	367.25	7.52	-65.78
CC[N@H+]1CCCC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002195538	1	47	0.0	-73.67	367.25	7.52	-66.15
C[N@@H+]1CCCC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002195542	0	44	0.0	-74.91	349.60	6.86	-68.05
C[N@H+]1CCCC(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002195542	1	44	0.0	-75.37	349.56	6.85	-68.52
C[NH+](C)CC1=CC=C(C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)O1	REAL300002195544	1	44	0.0	-78.94	369.53	7.04	-71.90
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002195550	0	53	0.0	-76.87	394.99	8.34	-68.53
C[N@H+]1CCCC(C(C)(C)C(=O)NCCOC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002195550	1	53	0.0	-76.70	395.00	8.35	-68.35
O=C([O-])C1=CC=C(OCCNC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300002195553	1	46	0.0	-71.57	363.05	8.57	-63.00
O=C([O-])C1=CC=C(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)O1	REAL300002196872	0	47	0.0	-74.58	379.10	9.33	-65.25
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)O1	REAL300002197654	0	44	0.0	-64.11	355.85	8.22	-55.89
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)O1	REAL300002197654	1	44	0.0	-66.02	361.62	8.74	-57.28
CC1=[NH+]C=C2CCC(C(=O)NCC3=CC=C(C(=O)[O-])O3)CN21	REAL300002198520	1	39	0.0	-64.36	325.63	6.85	-57.51
O=C([O-])C1=CC=C(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)O1	REAL300002198521	0	47	0.0	-68.66	380.53	9.22	-59.44
CC1=NC(C[NH+]2CCC(C(=O)NCC3=CC=C(C(=O)[O-])O3)CC2)=CS1	REAL300002198586	1	46	0.0	-74.28	386.09	7.02	-67.26
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300002198659	0	50	0.0	-75.34	412.08	8.85	-66.49
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)=C1	REAL300002198673	0	50	0.0	-78.49	412.87	11.17	-67.32
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)=C1	REAL300002198673	1	50	0.0	-78.16	412.88	11.18	-66.98
CC1(C(=O)NCC2=CC=C(C(=O)[O-])O2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002198674	0	50	0.0	-72.31	391.73	9.75	-62.56
O=C([O-])C1=CC=C(CNC(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300002198716	0	47	0.0	-70.20	395.91	9.52	-60.68
O=C([O-])C1=CC=C(CNC(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300002198716	1	47	0.0	-74.71	393.53	9.46	-65.25
C[NH+](C)CC1(C(=O)NCC2=CC=C(C(=O)[O-])O2)CCCCC1	REAL300002198753	0	46	0.0	-74.23	346.51	7.47	-66.76
C[N@H+](CCC(=O)NCC1=CC=C(C(=O)[O-])O1)C1CCCCC1	REAL300002198756	0	46	0.0	-71.02	356.43	7.69	-63.33
C[N@@H+](CCC(=O)NCC1=CC=C(C(=O)[O-])O1)C1CCCCC1	REAL300002198756	1	46	0.0	-71.35	356.42	7.69	-63.66
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)O1	REAL300002198836	0	40	0.0	-74.49	347.26	6.72	-67.77
C[NH+](C)CCN1N=CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)=C1C1=CC=CC=C1	REAL300002198841	0	50	0.0	-78.28	411.30	8.84	-69.44
O=C([O-])C1=CC=C(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)O1	REAL300002198867	0	47	0.0	-63.76	355.96	7.91	-55.85
O=C([O-])C1=CC=C(CNC(=O)C2CCCC[N@H+]2C2CCCC2)O1	REAL300002198867	1	47	0.0	-64.41	350.66	8.04	-56.37
O=C([O-])C1=CC=C(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)O1	REAL300002198868	0	48	0.0	-71.06	363.21	6.23	-64.83
O=C([O-])C1=CC=C(CNC(=O)CCCC[NH+]2CCOCC2)O1	REAL300002198896	1	44	0.0	-74.66	356.28	5.70	-68.96
CC[N@H+](CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1)C(C)C	REAL300002198897	0	49	0.0	-73.65	384.75	9.20	-64.45
CC[N@@H+](CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1)C(C)C	REAL300002198897	1	49	0.0	-73.70	375.51	8.77	-64.93
O=C([O-])C1=CC=C(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300002198920	0	44	0.0	-72.34	362.71	8.55	-63.79
O=C([O-])C1=CC=C(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300002198920	1	44	0.0	-72.30	362.97	8.61	-63.69
O=C([O-])C1=CC=C(CNC(=O)C2CC[NH+](C3CCSC3)CC2)O1	REAL300002198921	0	45	0.0	-76.77	357.39	7.67	-69.10
C[NH+]1CCN(C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C2=CC=CC=C2)CC1	REAL300002198943	1	49	0.0	-72.36	391.43	7.39	-64.97
O=C([O-])C1=CC=C(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)O1	REAL300002198944	0	48	0.0	-71.50	350.94	5.77	-65.73
CC(C(=O)NCC1=CC=C(C(=O)[O-])O1)[N@H+](C)CC1=CC=CC=C1	REAL300002198947	0	43	0.0	-69.11	353.15	8.09	-61.02
CC(C(=O)NCC1=CC=C(C(=O)[O-])O1)[N@@H+](C)CC1=CC=CC=C1	REAL300002198947	1	43	0.0	-69.91	352.97	8.07	-61.84
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)O1	REAL300002198957	0	50	0.0	-73.86	401.66	10.15	-63.71
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)O1	REAL300002198957	1	50	0.0	-69.03	395.41	10.36	-58.67
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=N1	REAL300002198988	0	39	0.0	-75.64	331.96	5.73	-69.91
CCC[NH+](CCC)CCCC(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002198999	0	48	0.0	-71.40	376.10	8.03	-63.37
O=C([O-])C1=CC=C(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)O1	REAL300002199000	1	48	0.0	-68.46	386.11	6.05	-62.41
CC[N@H+](C)C(C(=O)NCC1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300002199001	0	43	0.0	-66.19	351.44	8.22	-57.97
CC[N@@H+](C)C(C(=O)NCC1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300002199001	1	43	0.0	-66.56	350.50	8.24	-58.32
CC[NH+](CC)C(C(=O)NCC1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300002199006	0	46	0.0	-67.13	356.71	8.44	-58.69
C[NH+](C)C(C(=O)NCC1=CC=C(C(=O)[O-])O1)C1=CC=C(Cl)C=C1	REAL300002199012	1	40	0.0	-72.05	349.47	8.11	-63.94
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)O1	REAL300002199026	0	44	0.0	-76.49	360.97	8.74	-67.75
O=C([O-])C1=CC=C(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)O1	REAL300002199033	0	47	0.0	-73.26	377.73	9.44	-63.82
CCN1CCC([NH+]2CCC(C(=O)NCC3=CC=C(C(=O)[O-])O3)CC2)CC1	REAL300002199039	0	55	0.0	-71.04	408.91	6.81	-64.23
CC1C[NH+](CC2=CC=C(C(=O)NCC3=CC=C(C(=O)[O-])O3)C=C2)CC(C)O1	REAL300002199046	1	51	0.0	-79.82	411.05	8.47	-71.35
O=C([O-])C1=CC=C(CNC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)O1	REAL300002199055	1	48	0.0	-79.33	385.56	8.59	-70.74
O=C([O-])C1=CC=C(CNC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)O1	REAL300002199055	1	48	0.0	-78.62	392.34	8.64	-69.98
O=C([O-])C1=CC=C(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)O1	REAL300002199070	1	47	0.0	-66.40	376.68	9.25	-57.15
O=C([O-])C1=CC=C(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)O1	REAL300002199070	1	47	0.0	-67.23	367.23	9.09	-58.14
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=NN1C1=CC=[NH+]C=C1	REAL300002199072	1	38	0.0	-79.81	333.77	5.99	-73.82
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)O1	REAL300002199080	0	47	0.0	-76.75	377.42	9.40	-67.35
O=C([O-])C1=CC=C(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)O1	REAL300002199091	1	40	0.0	-79.01	342.50	6.27	-72.74
C[NH+](C)CCC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300002199092	0	43	0.0	-79.20	358.65	8.43	-70.77
O=C([O-])C1=CC=C(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)O1	REAL300002199100	1	45	0.0	-77.62	372.11	8.12	-69.50
O=C([O-])C1=CC=C(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)O1	REAL300002199100	1	45	0.0	-72.68	372.15	8.12	-64.56
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002199106	0	54	0.0	-69.05	422.20	10.93	-58.12
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002199106	1	54	0.0	-68.25	418.50	10.96	-57.29
CC(C(=O)NCC1=CC=C(C(=O)[O-])O1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002199115	0	53	0.0	-68.27	416.22	10.56	-57.71
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002199149	0	43	0.0	-72.82	357.15	8.53	-64.29
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002199149	1	43	0.0	-72.93	357.15	8.54	-64.39
COCCOCC[N@H+](C)CCC(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002199150	0	47	0.0	-71.42	386.14	4.73	-66.69
COCCOCC[N@@H+](C)CCC(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002199150	1	47	0.0	-72.93	386.19	4.73	-68.20
O=C([O-])C1=CC=C(CNC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)O1	REAL300002199160	0	52	0.0	-76.25	412.31	8.25	-68.00
CC(C)[NH+]1CCN(CCC(=O)NCC2=CC=C(C(=O)[O-])O2)CC1	REAL300002199196	0	48	0.0	-69.74	368.25	4.89	-64.85
CC(C)N1CC[NH+](CCC(=O)NCC2=CC=C(C(=O)[O-])O2)CC1	REAL300002199196	1	48	0.0	-71.17	370.18	5.11	-66.06
CC(C)[NH+]1CCN(CCCC(=O)NCC2=CC=C(C(=O)[O-])O2)CC1	REAL300002199197	0	51	0.0	-70.39	389.75	5.71	-64.68
CC(C)N1CC[NH+](CCCC(=O)NCC2=CC=C(C(=O)[O-])O2)CC1	REAL300002199197	1	51	0.0	-72.24	391.18	5.87	-66.37
C[NH+](C)CCN1C=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=N1	REAL300002199199	0	40	0.0	-79.71	342.32	5.60	-74.11
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC3=CC=C(C(=O)[O-])O3)CC2)=C1	REAL300002199204	0	52	0.0	-75.62	412.22	8.11	-67.51
O=C([O-])C1=CC=C(CNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)O1	REAL300002199206	0	49	0.0	-75.61	390.81	7.44	-68.17
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O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)O1	REAL300002199210	1	46	0.0	-71.32	367.73	7.64	-63.68
CC(C(=O)NCC1=CC=C(C(=O)[O-])O1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002199215	1	44	0.0	-67.24	356.36	8.47	-58.77
CC(C(=O)NCC1=CC=C(C(=O)[O-])O1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002199215	1	44	0.0	-68.56	353.05	8.67	-59.89
O=C([O-])C1=CC=C(CNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300002199243	0	47	0.0	-75.30	383.15	9.31	-65.99
O=C([O-])C1=CC=C(CNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300002199243	1	47	0.0	-75.16	382.54	9.33	-65.83
C[NH+](C)CCN1C=CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)=N1	REAL300002199255	0	40	0.0	-79.50	342.70	5.59	-73.91
C[NH+](C)CCN1N=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002199256	0	40	0.0	-69.62	337.78	5.57	-64.05
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002199261	1	41	0.0	-64.73	343.96	7.31	-57.42
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)O1	REAL300002199275	0	47	0.0	-73.08	379.32	9.56	-63.52
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)O1	REAL300002199275	1	47	0.0	-70.88	379.26	9.56	-61.32
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CN1C=CN=C1C[NH+]1CCC(C(=O)NCC2=CC=C(C(=O)[O-])O2)CC1	REAL300002199321	1	47	0.0	-79.41	375.56	7.53	-71.88
O=C([O-])C1=CC=C(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)O1	REAL300002199322	0	47	0.0	-68.72	363.88	8.06	-60.66
O=C([O-])C1=CC=C(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)O1	REAL300002199322	1	47	0.0	-67.58	363.54	8.04	-59.54
O=C([O-])C1=CC=C(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)O1	REAL300002199342	0	52	0.0	-78.82	411.57	8.21	-70.61
O=C([O-])C1=CC=C(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)O1	REAL300002199342	1	52	0.0	-76.65	410.18	8.53	-68.12
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002199349	0	44	0.0	-70.12	338.82	5.18	-64.94
CC(C)[N@@H+]1CCC(C(=O)NCC2=CC=C(C(=O)[O-])O2)C(C2=CN(C)N=C2)C1	REAL300002199352	0	53	0.0	-69.86	407.92	7.83	-62.03
CC(C)[N@H+]1CCC(C(=O)NCC2=CC=C(C(=O)[O-])O2)C(C2=CN(C)N=C2)C1	REAL300002199352	1	53	0.0	-75.48	407.91	7.84	-67.64
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC2=CC=C(C(=O)[O-])O2)C=N1	REAL300002199353	0	47	0.0	-79.14	363.97	6.15	-72.99
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC2=CC=C(C(=O)[O-])O2)C=N1	REAL300002199353	1	47	0.0	-76.63	381.98	6.92	-69.71
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC3=CC=C(C(=O)[O-])O3)=C2)CC1	REAL300002199359	0	49	0.0	-71.60	394.85	7.01	-64.59
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3=CC=C(C(=O)[O-])O3)C=C2)CC1	REAL300002199360	0	49	0.0	-76.06	394.78	7.02	-69.04
CN1CC[NH+](CC2=CC=C(C(=O)NCC3=CC=C(C(=O)[O-])O3)C=C2)CC1	REAL300002199360	1	49	0.0	-77.51	394.24	6.89	-70.62
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300002199361	0	50	0.0	-74.15	397.34	8.44	-65.71
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)O1	REAL300002199456	0	51	0.0	-79.34	409.40	6.75	-72.59
C[NH+](C)CC1=CC=CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)=C1	REAL300002199460	0	40	0.0	-75.60	336.17	7.59	-68.01
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300002199461	0	47	0.0	-70.61	379.17	9.28	-61.33
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300002199461	1	47	0.0	-71.00	379.09	9.28	-61.72
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002199517	0	40	0.0	-61.86	328.59	7.87	-53.99
CC[NH+]1CCN(CCC(=O)NCC2=CC=C(C(=O)[O-])O2)CC1	REAL300002199519	0	45	0.0	-70.98	355.46	4.61	-66.37
CCN1CC[NH+](CCC(=O)NCC2=CC=C(C(=O)[O-])O2)CC1	REAL300002199519	1	45	0.0	-71.37	356.62	4.76	-66.61
CC(C)C(C(=O)NCC1=CC=C(C(=O)[O-])O1)[NH+]1CCCCC1	REAL300002199522	0	46	0.0	-65.74	346.24	7.75	-57.99
C[NH+](C)C(C(=O)NCC1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300002199523	1	40	0.0	-68.13	332.70	7.59	-60.54
O=C([O-])C1=CC=C(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300002199527	0	45	0.0	-69.27	371.01	5.53	-63.74
O=C([O-])C1=CC=C(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300002199527	1	45	0.0	-68.98	371.24	5.51	-63.47
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002199532	1	41	0.0	-64.36	343.43	7.25	-57.11
C[NH+](C)CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)OC2=CC=CC=C21	REAL300002199533	0	43	0.0	-68.79	357.36	7.91	-60.88
CC[NH+](CC)C(C(=O)NCC1=CC=C(C(=O)[O-])O1)C1=CC=CC(C(F)(F)F)=C1	REAL300002199535	0	49	0.0	-71.71	395.42	9.43	-62.28
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@@H+]2C2CCCC2)O1	REAL300002199538	0	44	0.0	-64.19	341.28	7.54	-56.65
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@H+]2C2CCCC2)O1	REAL300002199538	1	44	0.0	-64.93	343.97	7.49	-57.44
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=CC=C(C(=O)[O-])O3)=CC=C1N2	REAL300002199586	1	45	0.0	-79.73	370.96	8.02	-71.71
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=CC=C(C(=O)[O-])O3)=CC=C1N2	REAL300002199586	1	45	0.0	-79.45	371.17	8.00	-71.45
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)O1	REAL300002199638	0	43	0.0	-72.10	358.36	7.26	-64.84
CC1=CC=C(N2CCC(C(=O)NCC3=CC=C(C(=O)[O-])O3)CC2)[NH+]=C1	REAL300002199639	1	46	0.0	-68.02	372.05	7.17	-60.85
C[N@H+](CC(=O)NCC1=CC=C(C(=O)[O-])O1)CC1=CC=CC=C1	REAL300002199640	1	40	0.0	-72.54	334.67	7.69	-64.85
C[N@@H+](CC(=O)NCC1=CC=C(C(=O)[O-])O1)CC1=CC=CC=C1	REAL300002199640	1	40	0.0	-72.37	334.67	7.69	-64.68
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3=CC=C(C(=O)[O-])O3)C=C2)CC1	REAL300002199643	0	52	0.0	-75.11	404.18	7.95	-67.16
O=C([O-])C1=CC=C(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)O1	REAL300002199653	1	35	0.0	-78.69	317.31	5.54	-73.15
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002199686	0	47	0.0	-74.73	382.71	9.08	-65.65
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002199686	1	47	0.0	-73.30	379.64	9.16	-64.14
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300002199704	0	48	0.0	-77.00	400.50	8.57	-68.43
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)O1	REAL300002199722	0	44	0.0	-73.75	364.16	7.78	-65.97
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2=CC=C(C(=O)[O-])O2)[C@@H](C(F)(F)F)C1	REAL300002199752	0	46	0.0	-68.35	372.01	7.29	-61.06
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2=CC=C(C(=O)[O-])O2)[C@@H](C(F)(F)F)C1	REAL300002199752	1	46	0.0	-64.59	370.52	7.39	-57.20
O=C([O-])C1=CC=C(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)O1	REAL300002199985	0	48	0.0	-68.07	386.90	9.59	-58.48
O=C([O-])C1=CC=C(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)O1	REAL300002199985	1	48	0.0	-69.22	388.22	9.55	-59.67
C[N@@H+]1CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)C(C(F)(F)F)C1	REAL300002200097	0	37	0.0	-77.14	321.60	5.91	-71.23
C[N@H+]1CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)C(C(F)(F)F)C1	REAL300002200097	1	37	0.0	-75.30	314.73	5.83	-69.47
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)=C1	REAL300002200520	0	43	0.0	-76.87	358.66	8.43	-68.44
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300002200526	0	44	0.0	-76.20	365.95	7.37	-68.83
O=C([O-])C1=CC=C(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)O1	REAL300002200601	0	50	0.0	-73.27	397.73	10.04	-63.23
CC1C[N@H+](CC2=CC=C(C(=O)NCC3=CC=C(C(=O)[O-])O3)C=C2)CCO1	REAL300002200603	1	48	0.0	-78.87	383.52	7.76	-71.11
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=CC=C(C(=O)[O-])O3)C=C2)CCO1	REAL300002200603	1	48	0.0	-79.15	383.52	7.76	-71.39
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])O2)C1	REAL300002200688	0	46	0.0	-68.53	359.20	7.79	-60.74
CC(C)C[N@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])O2)C1	REAL300002200688	1	46	0.0	-68.53	359.20	7.79	-60.74
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=C(C(=O)[O-])O2)C1	REAL300002200694	0	46	0.0	-73.50	348.01	7.22	-66.28
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=C(C(=O)[O-])O2)C1	REAL300002200694	1	46	0.0	-73.50	348.01	7.22	-66.28
O=C([O-])CCC1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300002202017	0	56	0.0	-77.11	413.10	12.23	-64.88
O=C([O-])CCC1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300002202773	0	53	0.0	-66.07	388.93	11.19	-54.88
O=C([O-])CCC1CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300002202773	1	53	0.0	-67.47	391.34	11.43	-56.04
O=C([O-])CCC1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300002203630	1	53	0.0	-66.65	405.59	11.70	-54.95
O=C([O-])CCC1CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300002203630	1	53	0.0	-69.88	405.72	11.68	-58.20
O=C([O-])CCC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300002203707	0	50	0.0	-70.79	359.84	9.77	-61.02
CC1=[NH+]C=C2CCC(C(=O)N3CCC(CCC(=O)[O-])CC3)CN12	REAL300002203737	1	48	0.0	-66.22	360.07	9.71	-56.51
O=C([O-])CCC1CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300002203738	0	56	0.0	-66.16	401.48	11.41	-54.75
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(CCC(=O)[O-])CC3)CC2)=CS1	REAL300002203812	1	55	0.0	-77.45	419.66	9.95	-67.50
CC(C(=O)N1CCC(CCC(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300002203813	1	51	0.0	-69.98	359.91	6.61	-63.37
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(CCC(=O)[O-])CC2)C=C1	REAL300002203899	0	59	0.0	-75.18	446.73	11.87	-63.31
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(CCC(=O)[O-])CC2)=C1	REAL300002203911	0	59	0.0	-76.72	447.41	13.86	-62.86
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(CCC(=O)[O-])CC2)=C1	REAL300002203911	1	59	0.0	-77.54	447.98	13.89	-63.65
CC1(C(=O)N2CCC(CCC(=O)[O-])CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002203913	0	59	0.0	-70.03	416.14	12.07	-57.96
O=C([O-])CCC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300002203972	0	41	0.0	-68.75	327.80	10.48	-58.27
C[NH+](C)CC1(C(=O)N2CCC(CCC(=O)[O-])CC2)CCCCC1	REAL300002204002	0	55	0.0	-73.90	367.50	10.20	-63.70
C[N@H+](CCC(=O)N1CCC(CCC(=O)[O-])CC1)C1CCCCC1	REAL300002204006	0	55	0.0	-71.99	391.07	10.73	-61.26
C[N@@H+](CCC(=O)N1CCC(CCC(=O)[O-])CC1)C1CCCCC1	REAL300002204006	1	55	0.0	-73.73	391.07	10.73	-63.00
O=C([O-])CCC1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300002204029	1	56	0.0	-74.47	408.18	11.93	-62.54
O=C([O-])CCC1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300002204029	1	56	0.0	-69.48	405.07	11.83	-57.65
O=C([O-])CCC1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300002204030	1	53	0.0	-67.49	395.27	11.25	-56.24
O=C([O-])CCC1CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300002204030	1	53	0.0	-70.77	395.40	11.23	-59.54
O=C([O-])CCC1CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300002204086	0	49	0.0	-74.00	382.33	9.42	-64.58
C[NH+](C)CCN1N=CC(C(=O)N2CCC(CCC(=O)[O-])CC2)=C1C1=CC=CC=C1	REAL300002204091	0	59	0.0	-76.70	449.60	11.50	-65.20
O=C([O-])CCC1CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300002204115	0	56	0.0	-65.25	386.40	11.40	-53.85
O=C([O-])CCC1CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300002204115	1	56	0.0	-62.28	387.51	10.87	-51.41
O=C([O-])CCC1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300002204116	0	57	0.0	-78.16	399.03	8.96	-69.20
CC1=[NH+]C=CN1CCCC(=O)N1CCC(CCC(=O)[O-])CC1	REAL300002204148	1	47	0.0	-68.07	363.64	10.04	-58.03
O=C([O-])CCC1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1	REAL300002204149	1	53	0.0	-76.38	390.93	8.72	-67.66
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CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CC1	REAL300002208761	1	47	0.0	-67.57	365.09	9.48	-58.09
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300002208774	0	48	0.0	-83.03	383.15	8.81	-74.22
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CC1	REAL300002208783	0	44	0.0	-75.88	351.23	8.00	-67.88
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300002209160	0	44	0.0	-81.13	351.27	7.67	-73.46
O=C([O-])C(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300002209199	0	50	0.0	-67.47	382.57	10.32	-57.15
CC1C[N@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CC3)C=C2)CCO1	REAL300002209201	1	48	0.0	-85.47	368.32	8.04	-77.43
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CC3)C=C2)CCO1	REAL300002209201	1	48	0.0	-84.69	366.22	8.02	-76.67
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300002210991	0	51	0.0	-76.82	402.60	9.91	-66.91
CC1=[NH+]C=C2CCC(C(=O)NC(CC3=CNC4=CC=CC=C34)C(=O)[O-])CN21	REAL300002211015	1	49	0.0	-69.15	396.12	9.64	-59.51
CC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])N1CC[NH+](C)CC1	REAL300002211076	1	52	0.0	-71.22	389.28	6.63	-64.59
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211105	0	47	0.0	-57.86	365.05	8.62	-49.24
C[N@H+]1CCCC[C@H]1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211105	1	47	0.0	-59.35	353.13	8.38	-50.97
C[NH+]1CCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002211164	0	47	0.0	-84.30	373.33	8.49	-75.81
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002211191	0	42	0.0	-77.02	358.67	10.42	-66.60
C[NH+](C)CC1(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CCCCC1	REAL300002211217	0	56	0.0	-84.46	403.63	10.92	-73.54
C[N@H+](CCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CCCCC1	REAL300002211221	0	56	0.0	-72.99	426.92	10.50	-62.49
C[N@@H+](CCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CCCCC1	REAL300002211221	1	56	0.0	-74.44	427.16	10.43	-64.01
C[N@@H+]1CCCC1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211234	0	44	0.0	-57.17	348.85	8.06	-49.11
C[N@H+]1CCCC1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211234	1	44	0.0	-65.20	355.23	7.83	-57.37
C[NH+]1CCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002211279	0	47	0.0	-84.30	373.33	8.49	-75.81
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002211291	0	58	0.0	-61.37	432.32	8.99	-52.38
CC1=[NH+]C=CN1CCCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211321	1	48	0.0	-66.72	394.65	9.93	-56.79
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCCC[NH+]1CCOCC1	REAL300002211322	1	54	0.0	-76.21	422.19	8.56	-67.65
C[C@@H](C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+](C)C	REAL300002211326	0	43	0.0	-60.43	342.08	7.39	-53.04
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211327	0	44	0.0	-56.22	343.93	7.52	-48.70
C[N@H+]1CCC[C@@H]1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211327	1	44	0.0	-58.01	344.83	7.89	-50.12
C[C@H](C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+](C)C	REAL300002211330	0	43	0.0	-57.76	342.07	7.39	-50.37
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002211362	0	54	0.0	-74.84	431.95	11.21	-63.63
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002211362	1	54	0.0	-74.63	432.09	11.30	-63.33
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002211382	0	58	0.0	-67.77	421.25	8.85	-58.92
CCC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+](CC)CC	REAL300002211386	0	52	0.0	-52.87	389.37	9.21	-43.66
CC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002211388	0	53	0.0	-58.19	418.80	11.00	-47.19
CC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002211388	1	53	0.0	-69.48	423.52	10.83	-58.65
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=N1	REAL300002211407	0	49	0.0	-87.05	402.46	8.91	-78.14
CCC[NH+](CCC)CCCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211410	0	58	0.0	-70.53	441.98	10.89	-59.64
C[N@@H+]1CCOC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002211412	1	45	0.0	-61.15	358.99	7.13	-54.02
C[N@H+]1CCOC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002211412	1	45	0.0	-79.01	358.79	7.17	-71.84
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211419	1	48	0.0	-57.37	389.57	9.71	-47.66
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002211431	0	54	0.0	-85.09	425.27	11.62	-73.47
C[NH+](C)CC1(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002211437	0	47	0.0	-79.99	379.08	8.62	-71.37
C[NH+](C)CCCCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211442	0	49	0.0	-75.14	389.29	9.11	-66.03
CC1=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002211459	1	48	0.0	-86.66	404.27	8.79	-77.87
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002211469	1	50	0.0	-79.80	407.33	9.06	-70.74
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300002211470	0	53	0.0	-88.80	422.95	11.32	-77.48
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211475	1	46	0.0	-59.40	372.02	8.06	-51.34
CCC[N@H+](C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211482	0	46	0.0	-66.25	367.98	8.26	-57.99
CCC[N@@H+](C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211482	1	46	0.0	-58.28	363.15	8.39	-49.89
C[N@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CCC1	REAL300002211496	0	47	0.0	-55.79	370.12	8.96	-46.83
C[N@@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CCC1	REAL300002211496	1	47	0.0	-55.79	369.80	9.02	-46.77
C[N@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])CC(C)(C)C	REAL300002211519	0	52	0.0	-65.25	396.34	9.31	-55.94
C[N@@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])CC(C)(C)C	REAL300002211519	1	52	0.0	-57.88	393.68	9.52	-48.36
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211521	0	53	0.0	-68.81	427.89	11.28	-57.53
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211521	1	53	0.0	-67.95	427.64	11.35	-56.60
COCCOCC[N@H+](C)CCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211522	0	57	0.0	-73.10	456.91	7.45	-65.65
COCCOCC[N@@H+](C)CCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211522	1	57	0.0	-75.67	456.69	7.53	-68.14
CC[C@@H](C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+](C)C	REAL300002211525	0	46	0.0	-56.72	353.31	8.02	-48.70
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002211527	0	51	0.0	-75.15	396.20	7.26	-67.89
C[N@H+]1CCCC(O)(CC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002211527	1	51	0.0	-59.41	394.20	7.33	-52.08
CCCCCC[N@H+](C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211538	0	55	0.0	-67.21	432.48	10.60	-56.61
CCCCCC[N@@H+](C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211538	1	55	0.0	-59.27	427.64	10.74	-48.53
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300002211553	1	42	0.0	-85.24	358.95	10.42	-74.82
C[N@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CCSC1	REAL300002211561	0	48	0.0	-60.66	383.40	9.21	-51.45
C[N@@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CCSC1	REAL300002211561	1	48	0.0	-67.93	388.02	9.10	-58.83
CC(C)[NH+]1CCN(CCC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002211576	0	58	0.0	-79.47	443.86	8.07	-71.40
CC(C)N1CC[NH+](CCC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002211576	1	58	0.0	-72.14	440.17	7.87	-64.27
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300002211577	0	51	0.0	-61.14	393.29	9.69	-51.45
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCCC2CCC[N@H+]21	REAL300002211577	1	51	0.0	-66.71	384.29	9.37	-57.34
C[NH+](C)CCN1C=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=N1	REAL300002211579	0	50	0.0	-81.23	407.95	8.54	-72.69
CC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002211588	1	54	0.0	-57.21	419.37	11.48	-45.73
CC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002211588	1	54	0.0	-67.36	423.80	11.41	-55.95
C[NH+](C)CCN1C=CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300002211613	0	50	0.0	-90.33	408.55	8.51	-81.82
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211614	0	50	0.0	-57.81	389.51	8.46	-49.35
C[C@@H]1[C@H](C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC[N@@H+]1C	REAL300002211616	0	47	0.0	-71.73	361.57	7.89	-63.84
C[C@@H]1[C@H](C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC[N@H+]1C	REAL300002211616	1	47	0.0	-71.46	366.48	8.28	-63.18
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211617	1	51	0.0	-69.37	414.70	10.05	-59.32
CC[C@@H]1[C@@H](C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC[N@@H+]1C	REAL300002211620	0	50	0.0	-74.53	385.69	8.58	-65.95
CC[C@@H]1[C@@H](C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC[N@H+]1C	REAL300002211620	1	50	0.0	-69.34	389.53	9.11	-60.23
CC1C[N@H+](C)CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])O1	REAL300002211627	1	48	0.0	-80.04	380.33	8.07	-71.97
CC1C[N@@H+](C)CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])O1	REAL300002211627	1	48	0.0	-73.21	381.63	8.20	-65.01
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C[NH+]1CCCC1	REAL300002211633	0	44	0.0	-64.56	352.46	7.92	-56.64
CC1=[NH+]C=CN1CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211635	1	42	0.0	-56.53	353.11	8.66	-47.87
CC(C[NH+]1CCOCC1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211637	0	51	0.0	-66.97	390.47	7.50	-59.47
CC1CC[NH+](CC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002211656	0	50	0.0	-66.70	391.71	9.34	-57.36
CC[N@@H+]1CCOC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002211667	1	48	0.0	-86.77	383.70	8.02	-78.75
CC[N@H+]1CCOC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002211667	1	48	0.0	-75.68	373.96	7.92	-67.76
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002211696	0	57	0.0	-61.59	428.47	10.94	-50.65
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002211696	1	57	0.0	-66.52	428.28	10.87	-55.65
C[N@@H+]1CCCC1CCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211702	0	50	0.0	-76.51	396.14	9.33	-67.18
C[N@H+]1CCCC1CCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211702	1	50	0.0	-69.71	385.85	8.98	-60.73
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300002211713	0	51	0.0	-58.57	384.76	9.44	-49.13
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCC2CCCC[N@H+]21	REAL300002211713	1	51	0.0	-55.74	384.59	9.45	-46.29
CC[NH+](CC)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211732	0	46	0.0	-56.98	360.00	8.34	-48.64
CC(C)[NH+]1CCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002211734	0	53	0.0	-80.12	407.41	9.75	-70.37
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C12CC[NH+](CC1)C2	REAL300002211800	0	45	0.0	-72.36	355.31	7.45	-64.91
CCC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+](C)C	REAL300002211803	0	46	0.0	-55.12	354.41	7.96	-47.16
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C12CC[N@H+](C1)CCC2	REAL300002211810	0	48	0.0	-70.95	360.84	8.00	-62.95
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300002211810	1	48	0.0	-82.20	369.40	8.24	-73.96
CC1CCC(C)[NH+]1CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211845	0	50	0.0	-63.42	385.88	8.86	-54.56
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300002211846	0	50	0.0	-84.08	406.91	10.34	-73.74
C#CC[NH+]1CCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002211889	0	49	0.0	-86.09	398.50	9.71	-76.38
CC[NH+]1CCN(CCC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002211891	0	55	0.0	-81.11	426.61	7.52	-73.59
CCN1CC[NH+](CCC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002211891	1	55	0.0	-72.98	427.36	7.49	-65.49
CC(C)[N@H+](C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211892	0	46	0.0	-64.34	363.17	8.03	-56.31
CC(C)[N@@H+](C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211892	1	46	0.0	-62.96	362.93	8.11	-54.85
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211896	1	51	0.0	-62.25	409.34	10.11	-52.14
CC[N@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300002211903	0	47	0.0	-62.29	377.11	8.93	-53.36
CC[N@@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300002211903	1	47	0.0	-56.67	370.26	8.97	-47.70
CC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+]1CCCCCC1	REAL300002211925	0	53	0.0	-63.94	398.82	9.26	-54.68
C[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211928	0	44	0.0	-58.48	349.99	7.99	-50.49
C[N@H+]1CCC[C@H]1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211928	1	44	0.0	-61.02	343.61	7.60	-53.42
CC(C)(C)[NH2+]CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002211990	0	46	0.0	-56.02	362.63	6.76	-49.26
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])O1	REAL300002211992	0	53	0.0	-78.25	424.09	10.17	-68.08
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCCC[NH+]1CCCC1	REAL300002211993	0	53	0.0	-72.72	415.01	10.35	-62.37
C[N@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])CC1=CC=CC=C1	REAL300002211995	1	50	0.0	-69.06	405.16	10.50	-58.56
C[N@@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])CC1=CC=CC=C1	REAL300002211995	1	50	0.0	-68.81	405.17	10.50	-58.31
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300002212019	1	45	0.0	-85.13	388.05	8.29	-76.84
C[NH+](C)CC1=CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=NO1	REAL300002212038	1	46	0.0	-80.77	381.20	7.99	-72.78
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002212051	0	50	0.0	-57.21	382.47	9.18	-48.03
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002212051	1	50	0.0	-62.24	374.44	8.54	-53.70
C[NH+]1CCC(OCC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002212066	0	51	0.0	-78.69	403.64	9.11	-69.58
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002212070	0	54	0.0	-79.67	428.14	10.61	-69.06
CCC[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002212198	0	53	0.0	-73.31	412.23	9.92	-63.39
CCC[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002212198	1	53	0.0	-72.43	412.50	9.86	-62.57
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C[NH+]1CCC(CO)CC1	REAL300002212220	1	51	0.0	-58.72	397.72	6.14	-52.58
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002212376	0	53	0.0	-54.21	394.18	9.97	-44.24
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002212376	1	53	0.0	-58.20	391.38	9.82	-48.38
C[N@@H+]1CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C(C(F)(F)F)C1	REAL300002212377	0	47	0.0	-75.15	374.13	8.50	-66.65
C[N@H+]1CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C(C(F)(F)F)C1	REAL300002212377	1	47	0.0	-77.16	385.79	8.70	-68.46
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])N1	REAL300002212398	1	48	0.0	-68.14	398.75	8.18	-59.96
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300002212748	0	53	0.0	-86.09	429.15	11.23	-74.86
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300002212754	0	54	0.0	-86.43	430.46	10.20	-76.23
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002212866	0	47	0.0	-73.70	378.49	8.57	-65.13
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002212870	0	53	0.0	-62.13	399.41	9.56	-52.57
CC1=[NH+]C=C2C=CC(C(=O)NC(CC3=CNC4=CC=CC=C34)C(=O)[O-])=CN21	REAL300002212874	0	45	0.0	-73.87	380.33	10.13	-63.74
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002212921	0	56	0.0	-64.33	419.67	10.52	-53.81
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002212921	1	56	0.0	-60.44	411.10	10.64	-49.80
CC[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002212922	0	50	0.0	-72.88	390.73	9.17	-63.71
CC[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002212922	1	50	0.0	-66.91	386.05	9.24	-57.67
C[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002212927	0	47	0.0	-68.28	363.99	8.42	-59.86
C[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002212927	1	47	0.0	-68.63	367.66	8.62	-60.01
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])O1	REAL300002212929	1	47	0.0	-81.65	388.47	8.78	-72.87
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002212937	0	49	0.0	-70.10	381.36	9.39	-60.71
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300002212937	1	49	0.0	-61.40	377.33	9.73	-51.67
COC1=CC(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300002214110	0	54	0.0	-84.30	423.60	10.89	-73.41
COC1=CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002214781	0	51	0.0	-76.35	400.35	9.78	-66.57
COC1=CC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002214781	1	51	0.0	-77.29	406.40	10.32	-66.97
COC1=CC(CNC(=O)C2CC[NH+](C3CC3)CC2)=CC=C1C(=O)[O-]	REAL300002215706	0	48	0.0	-78.95	371.95	8.52	-70.43
COC1=CC(CNC(=O)C2CCC[N@@H+]2C2CC2)=CC=C1C(=O)[O-]	REAL300002215733	0	45	0.0	-77.40	353.63	8.02	-69.38
COC1=CC(CNC(=O)C2CCC[N@H+]2C2CC2)=CC=C1C(=O)[O-]	REAL300002215733	1	45	0.0	-74.01	355.00	8.02	-65.99
COC1=CC(CNC(=O)C2CCC3=C[NH+]=C(C)N3C2)=CC=C1C(=O)[O-]	REAL300002215739	1	46	0.0	-73.52	370.13	8.40	-65.12
COC1=CC(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002215740	0	54	0.0	-76.49	426.25	10.84	-65.65
COC1=CC(CNC(=O)C2CCCC[N@@H+]2C)=CC=C1C(=O)[O-]	REAL300002215822	0	44	0.0	-75.62	344.44	7.25	-68.37
COC1=CC(CNC(=O)C2CCCC[N@H+]2C)=CC=C1C(=O)[O-]	REAL300002215822	1	44	0.0	-77.35	335.16	7.08	-70.27
COC1=CC(CNC(=O)C(C)N2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300002215823	1	49	0.0	-80.08	375.77	5.50	-74.58
COC1=CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)=CC=C1C(=O)[O-]	REAL300002215867	0	44	0.0	-77.32	335.14	7.09	-70.23
COC1=CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)=CC=C1C(=O)[O-]	REAL300002215867	1	44	0.0	-76.08	344.47	7.25	-68.83
COC1=CC(CNC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300002215925	0	57	0.0	-78.22	436.31	11.31	-66.91
COC1=CC(CNC(=O)C2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300002215959	0	44	0.0	-81.49	347.10	7.32	-74.17
COC1=CC(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)=CC=C1C(=O)[O-]	REAL300002215985	0	39	0.0	-80.02	332.67	9.14	-70.88
COC1=CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)=CC=C1C(=O)[O-]	REAL300002216019	0	53	0.0	-80.09	387.17	9.32	-70.77
COC1=CC(CNC(=O)CC[N@H+](C)C2CCCCC2)=CC=C1C(=O)[O-]	REAL300002216024	0	53	0.0	-80.76	400.92	9.24	-71.52
COC1=CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)=CC=C1C(=O)[O-]	REAL300002216024	1	53	0.0	-80.70	400.93	9.25	-71.45
COC1=CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300002216042	1	51	0.0	-80.80	406.76	9.84	-70.96
COC1=CC(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300002216042	1	51	0.0	-81.40	406.72	9.84	-71.56
COC1=CC(CNC(=O)C2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300002216096	0	44	0.0	-81.49	347.10	7.32	-74.17
COC1=CC(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=CC=C1C(=O)[O-]	REAL300002216101	0	47	0.0	-82.19	391.66	8.28	-73.91
COC1=CC(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300002216125	0	54	0.0	-73.43	400.46	9.46	-63.97
COC1=CC(CNC(=O)C2CCCC[N@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300002216125	1	54	0.0	-73.30	400.06	9.47	-63.83
COC1=CC(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)=CC=C1C(=O)[O-]	REAL300002216126	0	55	0.0	-78.31	407.70	7.79	-70.52
COC1=CC(CNC(=O)CCCN2C=C[NH+]=C2C)=CC=C1C(=O)[O-]	REAL300002216159	1	45	0.0	-76.94	373.48	8.57	-68.37
COC1=CC(CNC(=O)CCCC[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300002216160	1	51	0.0	-83.04	400.78	7.26	-75.78
CC[N@H+](CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1)C(C)C	REAL300002216163	0	56	0.0	-82.24	421.16	10.40	-71.84
CC[N@@H+](CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1)C(C)C	REAL300002216163	1	56	0.0	-83.08	420.80	10.51	-72.57
COC1=CC(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002216212	0	51	0.0	-81.67	407.48	10.10	-71.57
COC1=CC(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002216212	1	51	0.0	-81.05	407.52	10.16	-70.89
COC1=CC(CNC(=O)C2CC[NH+](C3CCSC3)CC2)=CC=C1C(=O)[O-]	REAL300002216213	0	52	0.0	-86.34	402.33	9.29	-77.05
COC1=CC(CNC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300002216240	1	56	0.0	-78.94	435.92	8.95	-69.99
COC1=CC(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)=CC=C1C(=O)[O-]	REAL300002216241	0	55	0.0	-80.47	399.83	7.55	-72.92
CCC(C(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1)[NH+](CC)CC	REAL300002216245	0	49	0.0	-73.36	368.77	8.03	-65.33
COC1=CC(CNC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002216247	0	50	0.0	-79.01	397.65	9.65	-69.36
COC1=CC(CNC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002216247	1	50	0.0	-78.60	397.39	9.67	-68.93
COC1=CC(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002216259	0	57	0.0	-83.49	446.16	11.71	-71.78
COC1=CC(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002216259	1	57	0.0	-83.42	446.17	11.71	-71.71
COC1=CC(CNC(=O)C2=CC=C(C[NH+](C)C)N=C2)=CC=C1C(=O)[O-]	REAL300002216281	0	46	0.0	-83.22	376.46	7.29	-75.93
CCC[NH+](CCC)CCCC(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002216290	0	55	0.0	-80.10	425.06	9.87	-70.23
COC1=CC(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)=CC=C1C(=O)[O-]	REAL300002216291	1	55	0.0	-76.91	430.41	7.60	-69.31
CC[N@H+](C)C(C(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1)C1=CC=CC=C1	REAL300002216292	0	50	0.0	-74.88	394.99	9.79	-65.09
CC[N@@H+](C)C(C(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1)C1=CC=CC=C1	REAL300002216292	1	50	0.0	-77.05	390.03	9.65	-67.40
COC1=CC(CNC(=O)C2C[N@H+](C)CCO2)=CC=C1C(=O)[O-]	REAL300002216294	1	42	0.0	-81.86	332.77	5.96	-75.90
COC1=CC(CNC(=O)C2C[N@@H+](C)CCO2)=CC=C1C(=O)[O-]	REAL300002216294	1	42	0.0	-81.87	332.78	5.96	-75.91
CC[NH+](CC)C(C(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1)C1=CC=CC=C1	REAL300002216297	0	53	0.0	-75.72	402.71	9.83	-65.89
COC1=CC(CNC(=O)CN2C=C[NH+]=C2C(C)C)=CC=C1C(=O)[O-]	REAL300002216306	1	45	0.0	-74.74	368.15	8.39	-66.35
COC1=CC(CNC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)=CC=C1C(=O)[O-]	REAL300002216311	1	47	0.0	-80.26	393.90	9.67	-70.59
COC1=CC(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=CC=C1C(=O)[O-]	REAL300002216324	0	51	0.0	-83.66	405.47	10.30	-73.36
COC1=CC(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=CC=C1C(=O)[O-]	REAL300002216332	0	54	0.0	-81.61	422.24	11.00	-70.61
COC1=CC(CNC(=O)C2(C[NH+](C)C)CC2)=CC=C1C(=O)[O-]	REAL300002216339	0	44	0.0	-78.50	353.16	7.36	-71.14
COC1=CC(CNC(=O)CCCC[NH+](C)C)=CC=C1C(=O)[O-]	REAL300002216349	0	46	0.0	-81.28	367.87	7.79	-73.49
COC1=CC(CNC(=O)C(C(C)C)[NH+](C)C)=CC=C1C(=O)[O-]	REAL300002216358	0	46	0.0	-77.64	351.57	7.92	-69.72
COC1=CC(CNC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300002216360	1	55	0.0	-88.20	430.07	10.14	-78.06
COC1=CC(CNC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300002216360	1	55	0.0	-88.22	430.13	10.15	-78.07
COC1=CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002216372	0	54	0.0	-75.80	421.16	10.82	-64.98
COC1=CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002216372	1	54	0.0	-76.13	421.15	10.81	-65.32
COC1=CC(CNC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)=CC=C1C(=O)[O-]	REAL300002216374	1	45	0.0	-87.57	378.27	7.55	-80.02
COC1=CC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=CC=C1C(=O)[O-]	REAL300002216382	0	54	0.0	-84.01	421.91	10.96	-73.05
COC1=CC(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=CC=C1C(=O)[O-]	REAL300002216396	1	47	0.0	-86.39	387.00	7.83	-78.56
COC1=CC(CNC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300002216397	0	50	0.0	-85.80	403.15	10.00	-75.80
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002216409	1	43	0.0	-71.45	351.82	6.72	-64.73
COC1=CC(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300002216411	1	52	0.0	-84.34	409.47	9.52	-74.82
COC1=CC(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300002216411	1	52	0.0	-85.56	416.65	9.68	-75.88
COC1=CC(CNC(=O)C[N@H+](C)C2CCC2)=CC=C1C(=O)[O-]	REAL300002216442	0	44	0.0	-77.54	348.64	7.64	-69.90
COC1=CC(CNC(=O)C[N@@H+](C)C2CCC2)=CC=C1C(=O)[O-]	REAL300002216442	1	44	0.0	-77.28	348.73	7.64	-69.64
COC1=CC(CNC(=O)C(C)[NH+]2CCSCC2)=CC=C1C(=O)[O-]	REAL300002216468	1	45	0.0	-79.75	357.88	7.50	-72.25
COC1=CC(CNC(=O)C[N@H+](C)CC(C)(C)C)=CC=C1C(=O)[O-]	REAL300002216474	0	49	0.0	-78.81	372.14	8.16	-70.65
COC1=CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)=CC=C1C(=O)[O-]	REAL300002216474	1	49	0.0	-79.08	370.34	8.07	-71.01
COC1=CC(CNC(=O)C[N@H+](C)CCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002216476	0	50	0.0	-83.70	401.65	10.09	-73.61
COC1=CC(CNC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002216476	1	50	0.0	-83.71	401.65	10.10	-73.61
COCCOCC[N@H+](C)CCC(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002216477	0	54	0.0	-81.13	430.64	6.29	-74.84
COCCOCC[N@@H+](C)CCC(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002216477	1	54	0.0	-81.98	430.69	6.28	-75.70
COC1=CC(CNC(=O)CC2(O)CCC[N@H+](C)C2)=CC=C1C(=O)[O-]	REAL300002216482	0	48	0.0	-76.37	372.83	6.01	-70.36
COC1=CC(CNC(=O)CC2(O)CCC[N@@H+](C)C2)=CC=C1C(=O)[O-]	REAL300002216482	1	48	0.0	-76.43	363.13	5.82	-70.61
COC1=CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)=CC=C1C(=O)[O-]	REAL300002216503	1	53	0.0	-80.63	416.20	9.06	-71.57
COC1=CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)=CC=C1C(=O)[O-]	REAL300002216503	1	53	0.0	-81.00	416.15	9.05	-71.95
COC1=CC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)=CC=C1C(=O)[O-]	REAL300002216504	1	53	0.0	-78.78	416.05	8.96	-69.82
COC1=CC(CNC(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)=CC=C1C(=O)[O-]	REAL300002216504	1	53	0.0	-79.67	406.65	8.89	-70.78
CCCCCC[N@H+](C)CC(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002216506	0	52	0.0	-80.53	406.24	9.41	-71.12
CCCCCC[N@@H+](C)CC(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002216506	1	52	0.0	-80.51	406.24	9.42	-71.09
COC1=CC(CNC(=O)C23CCC[NH+]2CCC3)=CC=C1C(=O)[O-]	REAL300002216516	0	45	0.0	-75.07	347.17	7.65	-67.42
COC1=CC(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)=CC=C1C(=O)[O-]	REAL300002216524	1	39	0.0	-82.45	332.95	9.17	-73.28
COC1=CC(CNC(=O)C[N@H+](C)C2CCSC2)=CC=C1C(=O)[O-]	REAL300002216540	0	45	0.0	-84.55	361.79	7.90	-76.65
COC1=CC(CNC(=O)C[N@@H+](C)C2CCSC2)=CC=C1C(=O)[O-]	REAL300002216540	1	45	0.0	-84.73	362.00	7.89	-76.84
COC1=CC(CNC(=O)CCN2CC[NH+](C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300002216557	0	55	0.0	-78.17	417.86	6.84	-71.33
COC1=CC(CNC(=O)CC[NH+]2CCN(C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300002216557	1	55	0.0	-80.83	414.67	6.67	-74.16
COC1=CC(CNC(=O)CCCN2CC[NH+](C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300002216558	0	58	0.0	-77.52	439.36	7.64	-69.88
COC1=CC(CNC(=O)CCC[NH+]2CCN(C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300002216558	1	58	0.0	-80.96	435.86	7.44	-73.52
COC1=CC(CNC(=O)C2CCCC3CCC[N@@H+]32)=CC=C1C(=O)[O-]	REAL300002216559	0	48	0.0	-75.28	359.17	8.23	-67.05
COC1=CC(CNC(=O)C2CCCC3CCC[N@H+]32)=CC=C1C(=O)[O-]	REAL300002216559	1	48	0.0	-72.30	367.02	8.50	-63.80
COC1=CC(CNC(=O)C2=CN(CC[NH+](C)C)N=C2)=CC=C1C(=O)[O-]	REAL300002216561	0	47	0.0	-87.04	386.83	7.15	-79.89
COC1=CC(CNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300002216570	0	56	0.0	-85.29	435.31	9.00	-76.29
COC1=CC(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=CC=C1C(=O)[O-]	REAL300002216573	0	53	0.0	-84.41	418.50	9.08	-75.33
COC1=CC(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=CC=C1C(=O)[O-]	REAL300002216573	1	53	0.0	-80.96	412.22	9.19	-71.77
COC1=CC(CNC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)=CC=C1C(=O)[O-]	REAL300002216578	1	51	0.0	-79.02	401.00	10.02	-69.00
COC1=CC(CNC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)=CC=C1C(=O)[O-]	REAL300002216578	1	51	0.0	-79.33	397.56	10.23	-69.10
CCCC(C(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1)[NH+](C)C	REAL300002216599	0	46	0.0	-78.04	357.76	8.03	-70.01
COC1=CC(CNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002216601	0	54	0.0	-83.39	425.41	10.81	-72.58
COC1=CC(CNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002216601	1	54	0.0	-83.65	427.03	10.89	-72.76
COC1=CC(CNC(=O)C2=NN(CC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300002216616	0	47	0.0	-85.83	387.20	7.15	-78.68
COC1=CC(CNC(=O)C2=CC=NN2CC[NH+](C)C)=CC=C1C(=O)[O-]	REAL300002216617	0	47	0.0	-78.60	382.28	7.13	-71.47
COC1=CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)=CC=C1C(=O)[O-]	REAL300002216623	0	44	0.0	-81.15	339.13	6.63	-74.52
COC1=CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)=CC=C1C(=O)[O-]	REAL300002216623	1	44	0.0	-79.11	344.62	7.18	-71.93
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002216625	1	48	0.0	-73.91	388.46	8.87	-65.04
CC[C@@H]1[C@@H](C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)CC[N@@H+]1C	REAL300002216628	0	47	0.0	-80.08	359.46	7.36	-72.72
CC[C@@H]1[C@@H](C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)CC[N@H+]1C	REAL300002216628	1	47	0.0	-79.20	364.39	7.70	-71.50
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002216632	1	43	0.0	-76.11	349.15	7.43	-68.68
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002216632	1	43	0.0	-76.26	355.05	7.96	-68.30
COC1=CC(CNC(=O)C2C[N@H+](C)CC(C)O2)=CC=C1C(=O)[O-]	REAL300002216640	1	45	0.0	-85.05	354.38	6.83	-78.22
COC1=CC(CNC(=O)C2C[N@@H+](C)CC(C)O2)=CC=C1C(=O)[O-]	REAL300002216640	1	45	0.0	-84.35	354.35	6.82	-77.53
COC1=CC(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)=CC=C1C(=O)[O-]	REAL300002216646	1	50	0.0	-74.73	403.34	8.73	-66.00
COC1=CC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)=CC=C1C(=O)[O-]	REAL300002216646	1	50	0.0	-79.67	402.90	8.51	-71.16
COC1=CC(CNC(=O)CN2C=C[NH+]=C2C)=CC=C1C(=O)[O-]	REAL300002216650	1	39	0.0	-76.15	331.95	7.27	-68.88
COC1=CC(CNC(=O)C(C)C[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300002216652	0	48	0.0	-80.96	373.82	6.38	-74.58
COC1=CC(CNC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)=CC=C1C(=O)[O-]	REAL300002216653	0	55	0.0	-85.07	433.06	8.42	-76.65
COC1=CC(CNC(=O)C[NH+]2CCC(C)CC2)=CC=C1C(=O)[O-]	REAL300002216668	0	47	0.0	-79.37	365.47	8.15	-71.22
CC[N@@H+]1CCOC(C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C1	REAL300002216682	1	45	0.0	-83.40	357.68	6.76	-76.64
CC[N@H+]1CCOC(C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C1	REAL300002216682	1	45	0.0	-83.41	357.67	6.76	-76.65
COC1=CC(CNC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)=CC=C1C(=O)[O-]	REAL300002216721	1	54	0.0	-88.51	420.05	9.09	-79.42
COC1=CC(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)=CC=C1C(=O)[O-]	REAL300002216722	0	54	0.0	-78.88	407.17	9.53	-69.35
COC1=CC(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)=CC=C1C(=O)[O-]	REAL300002216722	1	54	0.0	-78.43	408.03	9.60	-68.83
COC1=CC(CNC(=O)CCC2CCC[N@@H+]2C)=CC=C1C(=O)[O-]	REAL300002216729	0	47	0.0	-78.89	364.46	7.69	-71.20
COC1=CC(CNC(=O)CCC2CCC[N@H+]2C)=CC=C1C(=O)[O-]	REAL300002216729	1	47	0.0	-78.91	364.44	7.69	-71.22
COC1=CC(CNC(=O)C23CCC[NH+](CCC2)C3)=CC=C1C(=O)[O-]	REAL300002216742	0	48	0.0	-80.19	359.90	7.86	-72.33
COC1=CC(CNC(=O)C2(C)CC(O)C[N@@H+]2C)=CC=C1C(=O)[O-]	REAL300002216744	0	45	0.0	-79.21	348.94	3.82	-75.39
COC1=CC(CNC(=O)C2(C)CC(O)C[N@H+]2C)=CC=C1C(=O)[O-]	REAL300002216744	1	45	0.0	-79.78	350.23	4.00	-75.78
COC1=CC(CNC(=O)C2CCC3CCCC[N@@H+]32)=CC=C1C(=O)[O-]	REAL300002216745	0	48	0.0	-73.35	370.38	8.62	-64.73
COC1=CC(CNC(=O)C2CCC3CCCC[N@H+]32)=CC=C1C(=O)[O-]	REAL300002216745	1	48	0.0	-73.49	370.02	8.55	-64.94
COC1=CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300002216752	0	51	0.0	-78.60	383.31	6.74	-71.86
COC1=CC(CNC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300002216757	0	54	0.0	-87.89	426.51	8.47	-79.42
COC1=CC(CNC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300002216757	1	54	0.0	-88.63	418.93	8.03	-80.60
COC1=CC(CNC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)=CC=C1C(=O)[O-]	REAL300002216761	0	56	0.0	-82.42	439.28	8.57	-73.85
COC1=CC(CNC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300002216762	0	56	0.0	-81.35	438.40	8.39	-72.96
COC1=CC(CNC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300002216762	1	56	0.0	-84.69	438.74	8.45	-76.24
COC1=CC(CNC(=O)C2CC[NH+](C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300002216771	0	50	0.0	-79.21	377.76	8.27	-70.94
COC1=CC(CNC(=O)C23CC[NH+](CC2)C3)=CC=C1C(=O)[O-]	REAL300002216853	0	42	0.0	-80.34	334.13	6.17	-74.17
COC1=CC(CNC(=O)C23CC[N@H+](C2)CCC3)=CC=C1C(=O)[O-]	REAL300002216863	0	45	0.0	-81.65	343.35	6.97	-74.68
COC1=CC(CNC(=O)C23CC[N@@H+](C2)CCC3)=CC=C1C(=O)[O-]	REAL300002216863	1	45	0.0	-80.02	344.15	6.87	-73.15
COC1=CC(CNC(=O)C[NH+]2C(C)CCC2C)=CC=C1C(=O)[O-]	REAL300002216912	0	47	0.0	-74.95	359.54	7.54	-67.41
COC1=CC(CNC(=O)C2=CC=CC(C[NH+](C)C)=C2)=CC=C1C(=O)[O-]	REAL300002216913	0	47	0.0	-82.75	380.67	9.15	-73.60
COC1=CC(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002216914	0	54	0.0	-77.76	417.38	11.05	-66.71
COC1=CC(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002216914	1	54	0.0	-77.80	417.33	11.05	-66.75
COC1=CC(CNC(=O)C2([NH+](C)C)CCC2)=CC=C1C(=O)[O-]	REAL300002216954	0	44	0.0	-78.10	336.69	6.82	-71.28
C#CC[NH+]1CCC(C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)CC1	REAL300002216988	0	46	0.0	-82.94	371.79	8.47	-74.47
CCC[N@@H+]1CCCCC1C(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002216990	0	50	0.0	-76.01	374.35	8.48	-67.53
CCC[N@H+]1CCCCC1C(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002216990	1	50	0.0	-74.78	383.79	8.64	-66.14
COC1=CC(CNC(=O)C2=CC=CC=C2C[NH+](C)C)=CC=C1C(=O)[O-]	REAL300002216991	0	47	0.0	-73.08	373.57	9.42	-63.66
CC[NH+]1CCN(CCC(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)CC1	REAL300002216993	0	52	0.0	-79.88	399.95	6.17	-73.71
CCN1CC[NH+](CCC(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)CC1	REAL300002216993	1	52	0.0	-80.94	401.12	6.32	-74.62
COC1=CC(CNC(=O)C(C(C)C)[NH+]2CCCCC2)=CC=C1C(=O)[O-]	REAL300002216995	0	53	0.0	-73.08	391.03	9.13	-63.95
COC1=CC(CNC(=O)C(C2=CC=CC=C2)[NH+](C)C)=CC=C1C(=O)[O-]	REAL300002216996	1	47	0.0	-76.41	377.19	9.16	-67.25
COC1=CC(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002217000	0	52	0.0	-79.52	416.33	7.13	-72.39
COC1=CC(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002217000	1	52	0.0	-79.56	415.73	7.07	-72.49
COC1=CC(CNC(=O)CCN2C=C[NH+]=C2C(C)C)=CC=C1C(=O)[O-]	REAL300002217006	1	48	0.0	-73.70	387.92	8.82	-64.88
COC1=CC(CNC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)=CC=C1C(=O)[O-]	REAL300002217007	0	50	0.0	-78.79	407.84	9.49	-69.30
COC1=CC(CNC(=O)C2CCC[N@@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300002217012	0	51	0.0	-76.95	378.50	9.00	-67.95
COC1=CC(CNC(=O)C2CCC[N@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300002217012	1	51	0.0	-75.51	388.44	9.04	-66.47
CC[N@H+](CC(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1)C1CC1	REAL300002217014	0	44	0.0	-75.55	347.75	7.46	-68.09
CC[N@@H+](CC(=O)NCC1=CC=C(C(=O)[O-])C(OC)=C1)C1CC1	REAL300002217014	1	44	0.0	-76.57	348.88	7.68	-68.89
COC1=CC(CNC(=O)C(C(C)C)[NH+]2CC(C)OC(C)C2)=CC=C1C(=O)[O-]	REAL300002217043	1	57	0.0	-75.13	422.50	8.10	-67.03
COC1=CC(CNC(=O)C(C)[NH+]2CCCCCC2)=CC=C1C(=O)[O-]	REAL300002217044	0	50	0.0	-75.54	373.60	8.44	-67.10
COC1=CC(CNC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)=CC=C1C(=O)[O-]	REAL300002217086	1	52	0.0	-86.87	415.68	9.55	-77.32
COC1=CC(CNC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)=CC=C1C(=O)[O-]	REAL300002217086	1	52	0.0	-86.84	415.66	9.55	-77.29
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)O1	REAL300002217137	0	50	0.0	-79.17	402.37	8.83	-70.34
COC1=CC(CNC(=O)CCCC[NH+]2CCCC2)=CC=C1C(=O)[O-]	REAL300002217138	0	50	0.0	-79.80	393.84	8.98	-70.82
COC1=CC(CNC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)=CC=C1C(=O)[O-]	REAL300002217140	1	53	0.0	-76.12	416.53	8.73	-67.39
COC1=CC(CNC(=O)C[N@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002217141	1	47	0.0	-83.24	379.22	9.25	-73.99
COC1=CC(CNC(=O)C[N@@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002217141	1	47	0.0	-83.29	379.16	9.25	-74.04
COC1=CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)=CC=C1C(=O)[O-]	REAL300002217152	0	46	0.0	-77.14	350.56	7.80	-69.34
COC1=CC(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)=CC=C1C(=O)[O-]	REAL300002217170	1	42	0.0	-86.77	361.81	7.10	-79.67
COC1=CC(CNC(=O)C2=NOC(C[NH+](C)C)=C2)=CC=C1C(=O)[O-]	REAL300002217200	1	43	0.0	-87.88	361.62	6.69	-81.19
COC1=CC(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)=CC=C1C(=O)[O-]	REAL300002217204	0	54	0.0	-84.76	426.96	10.73	-74.03
COC1=CC(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)=CC=C1C(=O)[O-]	REAL300002217204	1	54	0.0	-84.69	427.22	10.74	-73.95
COC1=CC(CNC(=O)C2CCC[N@@H+]2C(C)C)=CC=C1C(=O)[O-]	REAL300002217220	0	47	0.0	-74.33	361.45	7.77	-66.56
COC1=CC(CNC(=O)C2CCC[N@H+]2C(C)C)=CC=C1C(=O)[O-]	REAL300002217220	1	47	0.0	-73.73	360.50	7.72	-66.01
COC1=CC(CNC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300002217228	0	55	0.0	-83.90	445.00	10.12	-73.78
COC1=CC(CNC(=O)COC2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300002217247	0	48	0.0	-84.45	382.46	7.75	-76.70
COC1=CC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=CC=C1C(=O)[O-]	REAL300002217252	0	51	0.0	-80.98	407.59	9.24	-71.74
CCC[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C1	REAL300002217450	0	50	0.0	-74.72	380.00	8.88	-65.84
CCC[N@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C1	REAL300002217450	1	50	0.0	-78.62	386.25	8.67	-69.95
COC1=CC(CNC(=O)C2CCC[N@@H+]2CC(C)C)=CC=C1C(=O)[O-]	REAL300002217483	0	50	0.0	-75.57	387.23	8.85	-66.72
COC1=CC(CNC(=O)C2CCC[N@H+]2CC(C)C)=CC=C1C(=O)[O-]	REAL300002217483	1	50	0.0	-75.52	387.17	8.87	-66.65
COC1=CC(CNC(=O)C[NH+]2CCC(CO)CC2)=CC=C1C(=O)[O-]	REAL300002217484	0	48	0.0	-80.87	376.30	4.84	-76.03
COC1=CC(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=CC=C1C(=O)[O-]	REAL300002217592	0	55	0.0	-81.31	431.42	11.16	-70.15
COC1=CC(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=CC=C1C(=O)[O-]	REAL300002217592	1	55	0.0	-84.47	433.72	11.12	-73.35
COC1=CC(CNC(=O)C2CCC[N@@H+](C(C)C)C2)=CC=C1C(=O)[O-]	REAL300002217726	0	50	0.0	-73.65	375.15	8.65	-65.00
COC1=CC(CNC(=O)C2CCC[N@H+](C(C)C)C2)=CC=C1C(=O)[O-]	REAL300002217726	1	50	0.0	-73.62	375.14	8.65	-64.97
COC1=CC(CNC(=O)C2C[N@H+](C)CC2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300002217727	0	44	0.0	-85.47	358.78	7.49	-77.98
COC1=CC(CNC(=O)C2C[N@@H+](C)CC2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300002217727	1	44	0.0	-86.11	366.45	7.41	-78.70
COC1=CC(CNC(=O)CCC2=[NH+]C(C)=C(C)N2)=CC=C1C(=O)[O-]	REAL300002217752	1	45	0.0	-74.57	372.75	6.95	-67.62
COC1=CC(CNC(=O)C2=CC=CC(CC[NH+](C)C)=C2)=CC=C1C(=O)[O-]	REAL300002218259	0	50	0.0	-83.67	403.16	9.99	-73.68
COC1=CC(CNC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300002218266	0	51	0.0	-83.05	410.45	8.92	-74.13
COC1=CC(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300002218364	0	57	0.0	-80.55	442.21	11.60	-68.95
COC1=CC(CNC(=O)C2=CC=C(CN3CCOC(C)C3)C=C2)=CC=C1C(=O)[O-]	REAL300002218366	0	55	0.0	-86.25	428.01	9.32	-76.93
COC1=CC(CNC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)=CC=C1C(=O)[O-]	REAL300002218366	1	55	0.0	-86.52	428.01	9.32	-77.20
COC1=CC(CNC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)=CC=C1C(=O)[O-]	REAL300002218366	1	55	0.0	-86.52	428.01	9.32	-77.20
COC1=CC(CNC(=O)[C@H]2C[C@H]([NH+](C)C)C2)=CC=C1C(=O)[O-]	REAL300002218411	0	44	0.0	-80.26	352.04	7.39	-72.87
COC1=CC(CNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=CC=C1C(=O)[O-]	REAL300002218415	0	50	0.0	-76.44	374.80	8.34	-68.10
COC1=CC(CNC(=O)C2=CN3C(=C[NH+]=C3C)C=C2)=CC=C1C(=O)[O-]	REAL300002218419	0	42	0.0	-75.89	354.10	8.92	-66.97
COC1=CC(CNC(=O)C2CCC[N@H+](CC(C)C)C2)=CC=C1C(=O)[O-]	REAL300002218486	0	53	0.0	-74.52	397.43	9.56	-64.96
COC1=CC(CNC(=O)C2CCC[N@@H+](CC(C)C)C2)=CC=C1C(=O)[O-]	REAL300002218486	1	53	0.0	-78.03	403.67	9.35	-68.68
CC[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C1	REAL300002218487	0	47	0.0	-78.05	364.76	7.93	-70.12
CC[N@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C(OC)=C2)C1	REAL300002218487	1	47	0.0	-78.00	364.76	7.93	-70.07
COC1=CC(CNC(=O)C2CCC[N@H+](C)C2)=CC=C1C(=O)[O-]	REAL300002218491	0	44	0.0	-79.72	347.07	7.27	-72.45
COC1=CC(CNC(=O)C2CCC[N@@H+](C)C2)=CC=C1C(=O)[O-]	REAL300002218491	1	44	0.0	-75.12	340.84	7.48	-67.64
COC1=CC(CNC(=O)C2=CC=C(C[NH+](C)C)O2)=CC=C1C(=O)[O-]	REAL300002218493	1	44	0.0	-82.48	367.06	7.46	-75.02
COC1=CC(CNC(=O)C(C)(C)C2CCC[N@H+](C)C2)=CC=C1C(=O)[O-]	REAL300002218499	0	53	0.0	-81.32	392.52	8.78	-72.54
COC1=CC(CNC(=O)C(C)(C)C2CCC[N@@H+](C)C2)=CC=C1C(=O)[O-]	REAL300002218499	1	53	0.0	-81.33	392.49	8.77	-72.56
COC1=CC(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)=CC=C1C(=O)[O-]	REAL300002218502	1	46	0.0	-74.96	360.37	9.08	-65.88
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002218571	1	52	0.0	-45.04	379.92	9.64	-35.40
CCCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002219893	0	52	0.0	-74.14	400.23	10.60	-63.54
CCCCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002220654	0	49	0.0	-51.63	376.14	9.60	-42.03
CCCCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002220654	1	49	0.0	-58.25	376.99	9.61	-48.64
CCCCC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300002221444	0	52	0.0	-63.46	402.34	10.64	-52.82
CCCCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300002221505	1	51	0.0	-73.91	407.96	8.42	-65.49
CCCCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002221561	0	55	0.0	-77.39	433.25	10.25	-67.14
CCCCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002221574	0	55	0.0	-78.87	434.28	12.50	-66.37
CCCCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002221574	1	55	0.0	-76.72	434.05	12.58	-64.14
CCCCC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002221575	0	55	0.0	-55.93	413.17	11.07	-44.86
CCCCC(NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002221613	0	52	0.0	-56.04	415.00	11.03	-45.01
CCCCC(NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002221613	1	52	0.0	-56.68	416.14	10.95	-45.73
CCCCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002221668	1	52	0.0	-57.26	395.08	10.47	-46.79
CCCCC(NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002221668	1	52	0.0	-62.60	404.22	10.70	-51.90
CCCCC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002221669	1	49	0.0	-61.67	391.11	10.21	-51.46
CCCCC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002221669	1	49	0.0	-54.07	383.55	9.62	-44.45
CCCCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002221715	0	45	0.0	-77.91	367.74	8.11	-69.80
CCCCC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300002221720	0	55	0.0	-80.92	432.70	10.17	-70.75
CCCCC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300002221744	0	52	0.0	-57.97	372.07	9.37	-48.60
CCCCC(NC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300002221744	1	52	0.0	-56.46	369.94	9.36	-47.10
CCCCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002221745	0	53	0.0	-77.17	391.14	7.70	-69.47
CCCCC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300002221768	1	49	0.0	-73.01	376.86	7.06	-65.95
CCCCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002221769	0	54	0.0	-79.89	397.71	10.27	-69.62
CCCCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002221769	1	54	0.0	-76.49	405.28	10.57	-65.92
CCCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002221790	0	49	0.0	-66.88	382.98	9.82	-57.06
CCCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002221790	1	49	0.0	-66.80	383.01	9.84	-56.96
CCCCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002221791	0	50	0.0	-72.20	379.00	9.13	-63.07
CCCCC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300002221812	1	54	0.0	-69.13	412.84	8.73	-60.40
CCCCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002221813	0	53	0.0	-68.19	376.74	7.34	-60.85
CCCCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002221816	0	48	0.0	-57.95	374.42	9.40	-48.55
CCCCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002221816	1	48	0.0	-57.82	374.20	9.40	-48.42
CCCCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002221824	0	55	0.0	-60.15	415.98	11.73	-48.42
CCCCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002221824	1	55	0.0	-70.15	422.81	11.54	-58.61
CCCCC(NC(=O)CCC[NH+](CCC)CCC)C(=O)[O-]	REAL300002221861	0	53	0.0	-68.06	396.68	9.39	-58.67
CCCCC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300002221862	1	53	0.0	-59.77	407.33	7.38	-52.39
CCCCC(NC(=O)C(C1=CC=CC=C1)[N@H+](C)CC)C(=O)[O-]	REAL300002221863	0	48	0.0	-50.75	371.11	9.62	-41.13
CCCCC(NC(=O)C(C1=CC=CC=C1)[N@@H+](C)CC)C(=O)[O-]	REAL300002221863	1	48	0.0	-51.95	361.38	9.21	-42.74
CCCCC(NC(=O)C(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300002221867	0	51	0.0	-49.98	371.97	9.41	-40.57
CCCCC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300002221870	1	45	0.0	-55.11	370.82	9.44	-45.67
CCCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002221884	0	49	0.0	-80.09	381.51	10.00	-70.09
CCCCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002221891	0	52	0.0	-73.23	398.31	10.81	-62.42
CCCCC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300002221897	0	60	0.0	-69.58	434.05	8.43	-61.15
CCCCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300002221903	1	56	0.0	-83.73	431.58	9.84	-73.89
CCCCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002221914	1	53	0.0	-77.59	406.97	9.91	-67.68
CCCCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002221914	1	53	0.0	-75.07	413.75	9.96	-65.11
CCCCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002221928	0	52	0.0	-59.45	398.08	10.58	-48.87
CCCCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002221928	1	52	0.0	-60.01	388.61	10.40	-49.61
CCCCC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002221930	1	43	0.0	-78.49	354.93	7.38	-71.11
CCCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002221938	0	52	0.0	-80.99	398.83	10.72	-70.27
CCCCC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300002221949	1	45	0.0	-77.20	362.83	7.52	-69.68
CCCCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002221950	0	48	0.0	-84.83	379.23	9.81	-75.02
CCCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002221957	1	50	0.0	-57.71	386.38	9.28	-48.43
CCCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002221957	1	50	0.0	-57.70	386.49	9.29	-48.41
CCCCC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300002221962	0	59	0.0	-62.27	436.43	11.97	-50.30
CCCCC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300002221962	1	59	0.0	-64.56	443.37	12.32	-52.24
CCCCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002221970	0	58	0.0	-55.81	432.04	11.84	-43.97
CCCCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002222001	0	48	0.0	-61.78	378.56	9.88	-51.90
CCCCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002222001	1	48	0.0	-61.81	378.56	9.87	-51.94
CCCCC(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300002222002	0	52	0.0	-68.11	407.61	6.05	-62.06
CCCCC(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300002222002	1	52	0.0	-65.25	406.72	6.08	-59.17
CCCCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002222011	0	57	0.0	-72.79	433.72	9.57	-63.22
CCCCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002222042	0	53	0.0	-70.85	394.77	6.60	-64.25
CCCCC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002222042	1	53	0.0	-65.23	391.09	6.40	-58.83
CCCCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002222043	0	56	0.0	-68.91	416.27	7.41	-61.50
CCCCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002222043	1	56	0.0	-67.68	411.75	7.23	-60.45
CCCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300002222048	0	57	0.0	-67.98	432.79	9.47	-58.51
CCCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002222049	0	54	0.0	-67.68	411.39	8.80	-58.88
CCCCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002222053	0	51	0.0	-67.46	395.24	8.91	-58.55
CCCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002222053	1	51	0.0	-68.30	395.16	8.82	-59.48
CCCCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002222057	1	49	0.0	-56.84	374.87	9.93	-46.91
CCCCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002222057	1	49	0.0	-58.86	374.21	10.05	-48.81
CCCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002222084	0	52	0.0	-72.54	404.21	10.73	-61.81
CCCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002222084	1	52	0.0	-71.35	401.54	10.64	-60.71
CCCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002222109	0	52	0.0	-66.66	400.71	10.90	-55.76
CCCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002222109	1	52	0.0	-68.48	406.70	10.74	-57.74
CCCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002222112	0	53	0.0	-67.22	409.11	8.22	-59.00
CCCCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002222144	1	52	0.0	-78.97	396.72	8.93	-70.04
CCCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002222145	0	52	0.0	-61.68	384.89	9.34	-52.34
CCCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002222145	1	52	0.0	-66.20	384.68	9.30	-56.90
CCCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002222161	0	57	0.0	-74.85	429.25	9.34	-65.51
CCCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002222161	1	57	0.0	-68.73	431.37	9.31	-59.42
CCCCC(NC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300002222165	0	49	0.0	-56.93	360.22	6.52	-50.41
CCCCC(NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002222169	0	58	0.0	-62.12	428.68	9.22	-52.90
CCCCC(NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002222169	1	58	0.0	-72.22	421.35	8.71	-63.51
CCCCC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002222170	0	52	0.0	-74.08	403.19	8.32	-65.76
CCCCC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002222170	1	52	0.0	-82.45	395.59	7.88	-74.57
CCCCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300002222175	0	54	0.0	-71.37	416.26	8.35	-63.02
CCCCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002222176	0	54	0.0	-77.86	414.48	8.20	-69.66
CCCCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300002222176	1	54	0.0	-80.99	414.82	8.26	-72.73
CCCCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300002222177	0	55	0.0	-79.14	418.75	9.79	-69.35
CCCCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002222252	0	56	0.0	-83.80	429.98	8.12	-75.68
CCCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002222254	0	52	0.0	-63.76	400.57	10.61	-53.15
CCCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002222254	1	52	0.0	-63.78	400.50	10.61	-53.17
CCCCC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002222309	0	50	0.0	-60.57	393.05	6.94	-53.63
CCCCC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002222309	1	50	0.0	-64.10	392.76	6.90	-57.20
CCCCC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300002222313	0	48	0.0	-53.77	383.91	9.32	-44.45
CCCCC(NC(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300002222315	0	54	0.0	-62.06	419.83	10.70	-51.36
CCCCC(NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300002222340	1	55	0.0	-50.96	400.97	7.98	-42.98
CCCCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002222363	1	50	0.0	-81.21	392.37	9.36	-71.85
CCCCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002222363	1	50	0.0	-80.96	392.57	9.34	-71.62
CCCCC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300002222413	0	48	0.0	-73.28	379.77	8.61	-64.67
CCCCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300002222415	1	51	0.0	-70.65	393.46	8.51	-62.14
CCCCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300002222418	0	57	0.0	-81.15	425.59	9.29	-71.86
CCCCC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002222427	1	40	0.0	-76.71	337.89	6.91	-69.80
CCCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002222458	0	52	0.0	-68.34	405.01	10.49	-57.85
CCCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002222458	1	52	0.0	-69.60	403.89	10.46	-59.14
CCCCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002222474	0	53	0.0	-81.71	421.67	9.96	-71.75
CCCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002222490	0	49	0.0	-75.03	384.50	9.02	-66.01
CCCCC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002222516	0	51	0.0	-72.03	393.42	8.62	-63.41
CCCCC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002222516	1	51	0.0	-67.37	392.04	8.72	-58.65
CCCCC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002222717	0	53	0.0	-63.71	408.33	10.91	-52.80
CCCCC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002222717	1	53	0.0	-62.97	408.75	11.01	-51.96
CCCCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300002222746	1	52	0.0	-57.13	403.60	10.69	-46.44
CCCCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300002222746	1	52	0.0	-58.73	404.46	10.64	-48.09
CCCCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002222814	0	42	0.0	-66.87	342.88	7.21	-59.66
CCCCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002222814	1	42	0.0	-67.46	343.77	7.17	-60.29
CCCCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300002223184	0	48	0.0	-75.94	379.24	9.80	-66.14
CCCCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002223188	0	49	0.0	-80.72	386.53	8.76	-71.96
CCCCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002223255	0	55	0.0	-68.52	418.88	11.43	-57.09
CCCCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002223257	1	53	0.0	-83.42	404.70	9.15	-74.27
CCCCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002223257	1	53	0.0	-82.83	404.98	9.10	-73.73
CC1=C(C(=O)[O-])SC(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300002224564	0	49	0.0	-72.54	400.00	8.63	-63.91
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300002225263	1	46	0.0	-62.68	376.73	7.52	-55.16
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300002225263	1	46	0.0	-63.80	382.50	8.04	-55.76
CC1=C(C(=O)[O-])SC(CNC(=O)C2CC[NH+](C3CC3)CC2)=N1	REAL300002226192	0	43	0.0	-66.83	348.33	6.26	-60.57
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@@H+]2C2CC2)=N1	REAL300002226222	1	40	0.0	-63.10	331.83	5.51	-57.59
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@H+]2C2CC2)=N1	REAL300002226222	1	40	0.0	-62.78	329.36	5.25	-57.53
CC1=[NH+]C=C2CCC(C(=O)NCC3=NC(C)=C(C(=O)[O-])S3)CN21	REAL300002226228	1	41	0.0	-61.04	346.52	6.14	-54.90
CC1=C(C(=O)[O-])SC(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=N1	REAL300002226229	0	49	0.0	-64.31	403.21	8.59	-55.72
CC1=NC(C[NH+]2CCC(C(=O)NCC3=NC(C)=C(C(=O)[O-])S3)CC2)=CS1	REAL300002226307	1	48	0.0	-70.96	407.38	6.39	-64.57
CC1=C(C(=O)[O-])SC(CNC(=O)C(C)N2CC[NH+](C)CC2)=N1	REAL300002226308	1	44	0.0	-68.23	352.14	3.24	-64.99
CC1=C(C(=O)[O-])SC(CNC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)=N1	REAL300002226394	0	52	0.0	-71.24	432.96	8.15	-63.09
CC1=C(C(=O)[O-])SC(CNC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300002226407	0	52	0.0	-65.71	412.61	9.05	-56.66
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)=N1	REAL300002226465	0	34	0.0	-68.10	309.06	6.90	-61.20
CC1=C(C(=O)[O-])SC(CNC(=O)C2(C[NH+](C)C)CCCCC2)=N1	REAL300002226498	0	48	0.0	-66.63	363.27	7.06	-59.57
CC1=C(C(=O)[O-])SC(CNC(=O)CC[N@@H+](C)C2CCCCC2)=N1	REAL300002226503	0	48	0.0	-68.14	377.30	6.98	-61.16
CC1=C(C(=O)[O-])SC(CNC(=O)CC[N@H+](C)C2CCCCC2)=N1	REAL300002226503	1	48	0.0	-68.15	377.30	6.99	-61.16
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=N1	REAL300002226579	0	42	0.0	-71.04	368.14	6.02	-65.02
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)=N1	REAL300002226603	0	49	0.0	-60.26	376.84	7.21	-53.05
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCCC[N@H+]2C2CCCC2)=N1	REAL300002226603	1	49	0.0	-61.11	371.55	7.34	-53.77
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)=N1	REAL300002226604	0	50	0.0	-71.05	390.62	5.68	-65.37
CC1=C(C(=O)[O-])SC(CNC(=O)CCCN2C=C[NH+]=C2C)=N1	REAL300002226635	1	40	0.0	-64.90	349.85	6.30	-58.60
CC1=C(C(=O)[O-])SC(CNC(=O)CCCC[NH+]2CCOCC2)=N1	REAL300002226636	1	46	0.0	-71.34	377.15	4.99	-66.35
CC[N@H+](CC1=CC=C(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300002226638	0	51	0.0	-69.55	405.63	8.50	-61.05
CC[N@@H+](CC1=CC=C(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300002226638	1	51	0.0	-69.58	396.39	8.07	-61.51
CC1=C(C(=O)[O-])SC(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300002226672	0	46	0.0	-69.02	383.82	7.84	-61.18
CC1=C(C(=O)[O-])SC(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300002226672	1	46	0.0	-68.49	383.90	7.90	-60.59
CC1=C(C(=O)[O-])SC(CNC(=O)C2CC[NH+](C3CCSC3)CC2)=N1	REAL300002226673	0	47	0.0	-74.45	382.71	7.28	-67.17
CC1=C(C(=O)[O-])SC(CNC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)=N1	REAL300002226701	1	51	0.0	-67.46	412.30	6.70	-60.76
CC1=C(C(=O)[O-])SC(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)=N1	REAL300002226702	0	50	0.0	-68.37	371.81	5.07	-63.30
CCC(C(=O)NCC1=NC(C)=C(C(=O)[O-])S1)[NH+](CC)CC	REAL300002226706	0	44	0.0	-60.06	345.15	5.77	-54.29
CC1=C(C(=O)[O-])SC(CNC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=N1	REAL300002226708	0	45	0.0	-65.21	374.04	7.39	-57.82
CC1=C(C(=O)[O-])SC(CNC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=N1	REAL300002226708	1	45	0.0	-66.04	373.67	7.38	-58.66
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=N1	REAL300002226718	0	52	0.0	-65.17	416.30	9.66	-55.51
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=N1	REAL300002226718	1	52	0.0	-71.07	422.52	9.46	-61.61
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(C[NH+](C)C)N=C2)=N1	REAL300002226743	0	41	0.0	-71.86	352.84	5.41	-66.45
CCC[NH+](CCC)CCCC(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300002226752	0	50	0.0	-68.06	401.44	7.60	-60.46
CC[N@H+](C)C(C(=O)NCC1=NC(C)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300002226754	0	45	0.0	-61.58	371.41	7.57	-54.01
CC[N@@H+](C)C(C(=O)NCC1=NC(C)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300002226754	1	45	0.0	-61.52	372.30	7.52	-54.00
CC[NH+](CC)C(C(=O)NCC1=NC(C)=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300002226758	0	48	0.0	-62.38	377.59	7.74	-54.64
CC1=C(C(=O)[O-])SC(CNC(=O)CN2C=C[NH+]=C2C(C)C)=N1	REAL300002226766	1	40	0.0	-61.63	344.62	6.13	-55.50
CC1=C(C(=O)[O-])SC(CNC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)=N1	REAL300002226770	1	42	0.0	-67.29	370.34	7.41	-59.88
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=N1	REAL300002226783	0	46	0.0	-72.40	381.85	8.04	-64.36
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=N1	REAL300002226790	0	49	0.0	-70.06	398.61	8.74	-61.32
CCN1CCC([NH+]2CCC(C(=O)NCC3=NC(C)=C(C(=O)[O-])S3)CC2)CC1	REAL300002226796	0	57	0.0	-69.19	428.68	5.98	-63.21
CC1=C(C(=O)[O-])SC(CNC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=N1	REAL300002226816	1	50	0.0	-75.98	406.45	7.89	-68.09
CC1=C(C(=O)[O-])SC(CNC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=N1	REAL300002226816	1	50	0.0	-74.62	413.24	7.94	-66.68
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300002226828	1	49	0.0	-62.09	397.55	8.55	-53.54
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300002226828	1	49	0.0	-63.23	388.08	8.39	-54.84
CC1=C(C(=O)[O-])SC(CNC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)=N1	REAL300002226830	1	40	0.0	-76.01	354.65	5.29	-70.72
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=N1	REAL300002226838	0	49	0.0	-72.66	398.59	8.75	-63.91
CC1=C(C(=O)[O-])SC(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=N1	REAL300002226851	1	42	0.0	-74.97	362.30	5.49	-69.48
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=N1	REAL300002226852	0	45	0.0	-74.83	379.53	7.73	-67.10
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300002226864	1	38	0.0	-58.76	328.19	4.46	-54.30
CC1=C(C(=O)[O-])SC(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=N1	REAL300002226865	1	47	0.0	-68.92	385.85	7.26	-61.66
CC1=C(C(=O)[O-])SC(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=N1	REAL300002226865	1	47	0.0	-71.94	393.02	7.42	-64.52
CC1=C(C(=O)[O-])SC(CNC(=O)C[N@@H+](C)CC(C)(C)C)=N1	REAL300002226928	0	44	0.0	-65.34	349.03	5.97	-59.37
CC1=C(C(=O)[O-])SC(CNC(=O)C[N@H+](C)CC(C)(C)C)=N1	REAL300002226928	1	44	0.0	-65.44	348.67	5.95	-59.49
CC1=C(C(=O)[O-])SC(CNC(=O)C[N@H+](C)CCC2=CC=CC=C2)=N1	REAL300002226930	0	45	0.0	-70.13	378.03	7.84	-62.29
CC1=C(C(=O)[O-])SC(CNC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=N1	REAL300002226930	1	45	0.0	-70.25	378.03	7.84	-62.41
COCCOCC[N@H+](C)CCC(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300002226931	0	49	0.0	-68.61	407.02	4.03	-64.58
COCCOCC[N@@H+](C)CCC(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300002226931	1	49	0.0	-69.43	407.07	4.03	-65.40
CC1=C(C(=O)[O-])SC(CNC(=O)CC2(O)CCC[N@@H+](C)C2)=N1	REAL300002226935	0	43	0.0	-64.23	339.51	3.56	-60.67
CC1=C(C(=O)[O-])SC(CNC(=O)CC2(O)CCC[N@H+](C)C2)=N1	REAL300002226935	1	43	0.0	-63.69	349.20	3.75	-59.94
CCCCCC[N@H+](C)CC(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300002226955	0	47	0.0	-67.21	382.62	7.15	-60.06
CCCCCC[N@@H+](C)CC(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300002226955	1	47	0.0	-67.18	382.62	7.16	-60.02
CC1=C(C(=O)[O-])SC(CNC(=O)C23CCC[NH+]2CCC3)=N1	REAL300002226965	0	40	0.0	-61.61	323.54	5.38	-56.23
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)=N1	REAL300002226973	1	34	0.0	-70.72	309.33	6.91	-63.81
CC1=C(C(=O)[O-])SC(CNC(=O)C[N@@H+](C)C2CCSC2)=N1	REAL300002226991	0	40	0.0	-71.09	338.38	5.63	-65.46
CC1=C(C(=O)[O-])SC(CNC(=O)C[N@H+](C)C2CCSC2)=N1	REAL300002226991	1	40	0.0	-70.88	338.18	5.65	-65.23
CC1=C(C(=O)[O-])SC(CNC(=O)CCN2CC[NH+](C(C)C)CC2)=N1	REAL300002227006	0	50	0.0	-66.37	394.24	4.58	-61.79
CC1=C(C(=O)[O-])SC(CNC(=O)CC[NH+]2CCN(C(C)C)CC2)=N1	REAL300002227006	1	50	0.0	-68.34	390.56	4.37	-63.97
CC1=C(C(=O)[O-])SC(CNC(=O)CCCN2CC[NH+](C(C)C)CC2)=N1	REAL300002227007	0	53	0.0	-66.14	415.74	5.38	-60.76
CC1=C(C(=O)[O-])SC(CNC(=O)CCC[NH+]2CCN(C(C)C)CC2)=N1	REAL300002227007	1	53	0.0	-68.83	412.24	5.18	-63.65
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCCC3CCC[N@@H+]32)=N1	REAL300002227008	0	43	0.0	-58.95	343.30	6.23	-52.72
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCCC3CCC[N@H+]32)=N1	REAL300002227008	1	43	0.0	-59.04	343.40	6.24	-52.80
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CN(CC[NH+](C)C)N=C2)=N1	REAL300002227010	0	42	0.0	-75.62	363.20	4.90	-70.72
CC1=C(C(=O)[O-])SC(CNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=N1	REAL300002227019	0	51	0.0	-72.68	411.69	6.74	-65.94
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=N1	REAL300002227022	0	48	0.0	-71.63	394.89	6.73	-64.90
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=N1	REAL300002227022	1	48	0.0	-68.61	388.61	6.94	-61.67
CC1=C(C(=O)[O-])SC(CNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300002227051	0	49	0.0	-71.93	403.93	8.63	-63.30
CC1=C(C(=O)[O-])SC(CNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300002227051	1	49	0.0	-71.38	401.83	8.56	-62.82
CC1=C(C(=O)[O-])SC(CNC(=O)C2=NN(CC[NH+](C)C)C=C2)=N1	REAL300002227066	0	42	0.0	-74.96	363.58	4.90	-70.06
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=NN2CC[NH+](C)C)=N1	REAL300002227067	0	42	0.0	-65.76	358.62	4.88	-60.88
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300002227073	1	43	0.0	-61.62	364.85	6.61	-55.01
CC[C@@H]1[C@@H](C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)CC[N@@H+]1C	REAL300002227076	0	42	0.0	-67.59	335.84	5.10	-62.49
CC[C@@H]1[C@@H](C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)CC[N@H+]1C	REAL300002227076	1	42	0.0	-67.02	340.77	5.44	-61.58
CC1=C(C(=O)[O-])SC(CNC(=O)C2C[N@@H+](C)CC(C)O2)=N1	REAL300002227088	1	40	0.0	-71.30	330.73	4.57	-66.73
CC1=C(C(=O)[O-])SC(CNC(=O)C2C[N@H+](C)CC(C)O2)=N1	REAL300002227088	1	40	0.0	-71.47	330.76	4.57	-66.90
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)=N1	REAL300002227094	0	49	0.0	-72.00	406.45	8.65	-63.35
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)=N1	REAL300002227094	1	49	0.0	-68.14	400.14	8.86	-59.28
CC1=C(C(=O)[O-])SC(CNC(=O)C(C)C[NH+]2CCOCC2)=N1	REAL300002227100	0	43	0.0	-68.44	350.20	4.13	-64.31
CC1=C(C(=O)[O-])SC(CNC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)=N1	REAL300002227101	0	50	0.0	-72.48	409.45	6.16	-66.32
CC1=C(C(=O)[O-])SC(CNC(=O)C[NH+]2CCC(C)CC2)=N1	REAL300002227111	1	42	0.0	-66.05	341.85	5.90	-60.15
CC[N@@H+]1CCOC(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300002227126	1	40	0.0	-65.27	326.92	4.36	-60.91
CC[N@H+]1CCOC(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300002227126	1	40	0.0	-65.49	326.98	4.34	-61.15
CC1=C(C(=O)[O-])SC(CNC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)=N1	REAL300002227165	1	49	0.0	-76.07	396.43	6.83	-69.24
CC1=C(C(=O)[O-])SC(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)=N1	REAL300002227166	0	49	0.0	-66.26	384.76	7.36	-58.90
CC1=C(C(=O)[O-])SC(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)=N1	REAL300002227166	1	49	0.0	-67.21	384.23	7.28	-59.93
CC1=C(C(=O)[O-])SC(CNC(=O)CCC2CCC[N@H+]2C)=N1	REAL300002227173	0	42	0.0	-67.79	346.28	5.90	-61.89
CC1=C(C(=O)[O-])SC(CNC(=O)CCC2CCC[N@@H+]2C)=N1	REAL300002227173	1	42	0.0	-66.93	340.83	5.43	-61.50
CC1=C(C(=O)[O-])SC(CNC(=O)C23CCC[NH+](CCC2)C3)=N1	REAL300002227186	0	43	0.0	-68.42	336.28	5.60	-62.82
CC1=C(C(=O)[O-])SC(CNC(=O)C2(C)CC(O)C[N@H+]2C)=N1	REAL300002227190	1	40	0.0	-65.11	328.15	1.52	-63.59
CC1=C(C(=O)[O-])SC(CNC(=O)C2(C)CC(O)C[N@@H+]2C)=N1	REAL300002227190	1	40	0.0	-66.25	324.68	2.00	-64.25
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC3CCCC[N@@H+]32)=N1	REAL300002227191	0	43	0.0	-61.68	339.77	5.87	-55.81
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC3CCCC[N@H+]32)=N1	REAL300002227191	1	43	0.0	-61.48	339.58	5.89	-55.59
CC1=C(C(=O)[O-])SC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)=N1	REAL300002227199	0	46	0.0	-65.43	359.70	4.48	-60.95
CC1=C(C(=O)[O-])SC(CNC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)=N1	REAL300002227204	0	49	0.0	-76.13	395.31	5.77	-70.36
CC1=C(C(=O)[O-])SC(CNC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)=N1	REAL300002227204	1	49	0.0	-75.44	402.90	6.21	-69.23
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)=N1	REAL300002227209	0	51	0.0	-68.85	415.72	6.31	-62.54
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)=N1	REAL300002227210	0	51	0.0	-70.09	414.78	6.13	-63.96
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)=N1	REAL300002227210	1	51	0.0	-73.45	415.12	6.19	-67.26
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300002227211	0	52	0.0	-71.18	422.04	8.02	-63.16
CC1=C(C(=O)[O-])SC(CNC(=O)C2CC[NH+](C(C)C)CC2)=N1	REAL300002227219	0	45	0.0	-66.87	354.14	6.01	-60.86
CC1=C(C(=O)[O-])SC(CNC(=O)C23CC[N@H+](C2)CCC3)=N1	REAL300002227306	0	40	0.0	-68.89	320.84	4.65	-64.24
CC1=C(C(=O)[O-])SC(CNC(=O)C23CC[N@@H+](C2)CCC3)=N1	REAL300002227306	1	40	0.0	-67.83	320.52	4.61	-63.22
CC1=C(C(=O)[O-])SC(CNC(=O)C[NH+]2C(C)CCC2C)=N1	REAL300002227359	0	42	0.0	-62.32	336.03	5.41	-56.91
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=CC(C[NH+](C)C)=C2)=N1	REAL300002227360	0	42	0.0	-71.44	357.09	6.89	-64.55
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300002227361	0	49	0.0	-65.28	393.79	8.79	-56.49
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300002227361	1	49	0.0	-65.51	393.72	8.79	-56.72
C#CC[NH+]1CCC(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300002227432	0	41	0.0	-70.71	348.18	6.21	-64.50
CCC[N@@H+]1CCCCC1C(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300002227434	0	45	0.0	-62.88	350.72	6.22	-56.66
CCC[N@H+]1CCCCC1C(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300002227434	1	45	0.0	-61.41	360.18	6.38	-55.03
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=CC=C2C[NH+](C)C)=N1	REAL300002227435	0	42	0.0	-60.53	349.95	7.16	-53.37
CC[NH+]1CCN(CCC(=O)NCC2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300002227437	0	47	0.0	-68.07	376.34	3.91	-64.16
CCN1CC[NH+](CCC(=O)NCC2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300002227437	1	47	0.0	-68.39	377.50	4.06	-64.33
CC1=C(C(=O)[O-])SC(CNC(=O)C(C(C)C)[NH+]2CCCCC2)=N1	REAL300002227439	0	48	0.0	-59.68	367.41	6.87	-52.81
CC1=C(C(=O)[O-])SC(CNC(=O)C(C2=CC=CC=C2)[NH+](C)C)=N1	REAL300002227440	1	42	0.0	-63.50	353.62	6.89	-56.61
CC1=C(C(=O)[O-])SC(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300002227444	0	47	0.0	-66.75	391.88	4.83	-61.92
CC1=C(C(=O)[O-])SC(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300002227444	1	47	0.0	-66.62	392.12	4.82	-61.80
CC1=C(C(=O)[O-])SC(CNC(=O)CCN2C=C[NH+]=C2C(C)C)=N1	REAL300002227450	1	43	0.0	-61.25	364.31	6.56	-54.69
CC1=C(C(=O)[O-])SC(CNC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)=N1	REAL300002227451	0	45	0.0	-66.67	378.23	7.21	-59.46
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@@H+]2C2CCCC2)=N1	REAL300002227457	0	46	0.0	-61.32	366.10	7.02	-54.30
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@H+]2C2CCCC2)=N1	REAL300002227457	1	46	0.0	-62.35	364.82	6.78	-55.57
CC1=C(C(=O)[O-])SC(CNC(=O)C(C)[NH+]2CCCCCC2)=N1	REAL300002227488	0	45	0.0	-62.12	349.99	6.19	-55.93
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)=N1	REAL300002227526	1	47	0.0	-75.74	392.05	7.29	-68.45
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)=N1	REAL300002227526	1	47	0.0	-75.72	392.04	7.30	-68.42
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)O1	REAL300002227581	0	45	0.0	-67.56	379.09	6.58	-60.98
CC1=C(C(=O)[O-])SC(CNC(=O)CCCC[NH+]2CCCC2)=N1	REAL300002227582	0	45	0.0	-68.12	370.22	6.72	-61.40
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)=N1	REAL300002227584	1	48	0.0	-64.59	392.92	6.48	-58.11
CC1=C(C(=O)[O-])SC(CNC(=O)C[N@@H+](C)CC2=CC=CC=C2)=N1	REAL300002227585	1	42	0.0	-69.78	355.55	6.99	-62.79
CC1=C(C(=O)[O-])SC(CNC(=O)C[N@H+](C)CC2=CC=CC=C2)=N1	REAL300002227585	1	42	0.0	-69.71	355.55	6.99	-62.72
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)=N1	REAL300002227607	1	37	0.0	-75.10	338.19	4.84	-70.26
CC1=C(C(=O)[O-])SC(CNC(=O)C2=NOC(C[NH+](C)C)=C2)=N1	REAL300002227638	1	38	0.0	-76.40	336.99	4.37	-72.03
CC1=C(C(=O)[O-])SC(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)=N1	REAL300002227642	0	49	0.0	-70.01	400.55	8.45	-61.56
CC1=C(C(=O)[O-])SC(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)=N1	REAL300002227642	1	49	0.0	-72.64	403.33	8.47	-64.17
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@H+]2C(C)C)=N1	REAL300002227659	0	42	0.0	-62.26	331.69	5.68	-56.58
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@@H+]2C(C)C)=N1	REAL300002227659	1	42	0.0	-62.15	331.27	5.67	-56.48
CC1=C(C(=O)[O-])SC(CNC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)=N1	REAL300002227666	0	50	0.0	-72.88	421.37	7.87	-65.01
CC1=C(C(=O)[O-])SC(CNC(=O)COC2CC[NH+](C)CC2)=N1	REAL300002227686	0	43	0.0	-72.56	358.84	5.49	-67.07
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=N1	REAL300002227691	0	46	0.0	-69.67	385.04	7.08	-62.59
CC1=C(C(=O)[O-])SC(CNC(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)=N1	REAL300002227736	0	48	0.0	-67.81	392.85	6.63	-61.18
CC1=C(C(=O)[O-])SC(CNC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)=N1	REAL300002227736	1	48	0.0	-65.06	391.56	6.69	-58.37
CCC[N@@H+]1CCCC(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300002227886	0	45	0.0	-62.01	356.38	6.62	-55.39
CCC[N@H+]1CCCC(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300002227886	1	45	0.0	-61.82	356.38	6.62	-55.20
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@H+]2CC(C)C)=N1	REAL300002227919	0	45	0.0	-62.10	363.81	6.58	-55.52
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@@H+]2CC(C)C)=N1	REAL300002227919	1	45	0.0	-62.58	355.12	6.31	-56.27
CC1=C(C(=O)[O-])SC(CNC(=O)C[NH+]2CCC(CO)CC2)=N1	REAL300002227920	1	43	0.0	-68.74	352.68	2.58	-66.16
CC1=C(C(=O)[O-])SC(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=N1	REAL300002228022	0	50	0.0	-68.21	407.84	8.91	-59.30
CC1=C(C(=O)[O-])SC(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=N1	REAL300002228022	1	50	0.0	-70.97	410.11	8.86	-62.11
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@@H+](C(C)C)C2)=N1	REAL300002228157	0	45	0.0	-60.85	351.53	6.39	-54.46
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@H+](C(C)C)C2)=N1	REAL300002228157	1	45	0.0	-60.74	351.52	6.39	-54.35
CC1=C(C(=O)[O-])SC(CNC(=O)C2C[N@@H+](C)CC2C(F)(F)F)=N1	REAL300002228158	0	39	0.0	-73.28	342.83	5.15	-68.13
CC1=C(C(=O)[O-])SC(CNC(=O)C2C[N@H+](C)CC2C(F)(F)F)=N1	REAL300002228158	1	39	0.0	-74.35	335.60	5.14	-69.21
CC1=C(C(=O)[O-])SC(CNC(=O)CCC2=[NH+]C(C)=C(C)N2)=N1	REAL300002228182	1	40	0.0	-62.12	349.12	4.69	-57.43
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=CC(CC[NH+](C)C)=C2)=N1	REAL300002228682	0	45	0.0	-72.74	379.53	7.72	-65.02
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)=N1	REAL300002228690	0	46	0.0	-72.46	386.83	6.67	-65.79
CC1=C(C(=O)[O-])SC(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300002228791	0	52	0.0	-68.48	418.59	9.34	-59.14
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(CN3CCOC(C)C3)C=C2)=N1	REAL300002228793	0	50	0.0	-74.89	404.41	7.06	-67.83
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)=N1	REAL300002228793	1	50	0.0	-75.11	404.46	7.06	-68.05
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)=N1	REAL300002228793	1	50	0.0	-75.11	404.46	7.06	-68.05
CC1=C(C(=O)[O-])SC(CNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=N1	REAL300002228839	0	45	0.0	-64.29	351.18	6.08	-58.21
CC1=[NH+]C=C2C=CC(C(=O)NCC3=NC(C)=C(C(=O)[O-])S3)=CN21	REAL300002228843	0	37	0.0	-63.78	330.48	6.67	-57.11
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@@H+](CC(C)C)C2)=N1	REAL300002228907	0	48	0.0	-65.49	380.07	7.09	-58.40
CC1=C(C(=O)[O-])SC(CNC(=O)C2CCC[N@H+](CC(C)C)C2)=N1	REAL300002228907	1	48	0.0	-61.96	373.81	7.30	-54.66
CC[N@@H+]1CCCC(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300002228908	0	42	0.0	-65.59	341.14	5.67	-59.92
CC[N@H+]1CCCC(C(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C1	REAL300002228908	1	42	0.0	-65.75	341.16	5.67	-60.08
CC1=C(C(=O)[O-])SC(CNC(=O)C2=CC=C(C[NH+](C)C)O2)=N1	REAL300002228914	1	39	0.0	-70.57	342.38	5.11	-65.46
CC1=C(C(=O)[O-])SC(CNC(=O)C(C)(C)C2CCC[N@@H+](C)C2)=N1	REAL300002228919	0	48	0.0	-70.77	361.24	6.07	-64.70
CC1=C(C(=O)[O-])SC(CNC(=O)C(C)(C)C2CCC[N@H+](C)C2)=N1	REAL300002228919	1	48	0.0	-69.76	368.88	6.52	-63.24
CC1=C(C(=O)[O-])SC(CNC(=O)C23CC(C2)CN3C2CC2)=N1	REAL300002228922	0	41	0.0	-61.59	336.75	6.83	-54.76
CC1=C(C(=O)[O-])SC(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)=N1	REAL300002228922	1	41	0.0	-61.03	343.73	5.80	-55.23
CC1=C(C(=O)[O-])SC(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)=N1	REAL300002228922	1	41	0.0	-61.59	336.75	6.83	-54.76
O=C([O-])COC1=CC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300002230221	0	51	0.0	-84.68	401.07	10.98	-73.70
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1	REAL300002230946	0	48	0.0	-73.66	378.02	9.89	-63.77
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1	REAL300002230946	1	48	0.0	-74.52	382.92	10.30	-64.22
O=C([O-])COC1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C1	REAL300002231894	0	45	0.0	-78.07	349.64	8.60	-69.47
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=C1	REAL300002231924	0	42	0.0	-74.63	330.75	7.61	-67.02
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@H+]2C2CC2)C=C1	REAL300002231924	1	42	0.0	-74.63	331.06	7.61	-67.02
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)CN21	REAL300002231930	1	43	0.0	-70.14	348.36	8.50	-61.64
O=C([O-])COC1=CC=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=C1	REAL300002231931	0	51	0.0	-79.21	395.19	11.56	-67.65
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)CC2)=CS1	REAL300002232010	1	50	0.0	-82.60	408.55	8.67	-73.93
CC(C(=O)NC1=CC=C(OCC(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300002232011	1	46	0.0	-75.30	353.77	5.59	-69.71
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300002232098	0	54	0.0	-79.64	434.26	10.51	-69.13
CC1(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002232112	0	54	0.0	-74.87	413.94	11.39	-63.48
O=C([O-])COC1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1	REAL300002232172	0	36	0.0	-76.40	310.65	9.25	-67.15
C[NH+](C)CC1(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)CCCCC1	REAL300002232205	0	50	0.0	-78.74	362.29	9.26	-69.48
C[N@H+](CCC(=O)NC1=CC=C(OCC(=O)[O-])C=C1)C1CCCCC1	REAL300002232210	0	50	0.0	-78.90	378.86	9.34	-69.56
C[N@@H+](CCC(=O)NC1=CC=C(OCC(=O)[O-])C=C1)C1CCCCC1	REAL300002232210	1	50	0.0	-78.95	378.64	9.35	-69.60
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C=C1	REAL300002232232	1	48	0.0	-77.89	384.39	9.94	-67.95
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C=C1	REAL300002232232	1	48	0.0	-78.34	384.03	9.94	-68.40
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C1	REAL300002232290	0	44	0.0	-81.73	368.85	8.38	-73.35
O=C([O-])COC1=CC=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1	REAL300002232317	0	51	0.0	-71.47	372.91	9.66	-61.81
O=C([O-])COC1=CC=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1	REAL300002232317	1	51	0.0	-70.06	377.44	9.59	-60.47
O=C([O-])COC1=CC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C1	REAL300002232318	0	52	0.0	-82.05	392.15	8.03	-74.02
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(OCC(=O)[O-])C=C1	REAL300002232349	1	42	0.0	-73.57	351.17	8.67	-64.90
O=C([O-])COC1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C=C1	REAL300002232350	1	48	0.0	-80.23	378.45	7.35	-72.88
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C=C1)C(C)C	REAL300002232352	0	53	0.0	-80.44	406.29	10.86	-69.58
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C=C1)C(C)C	REAL300002232352	1	53	0.0	-80.30	398.23	10.42	-69.88
O=C([O-])COC1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300002232377	0	48	0.0	-78.36	385.03	10.20	-68.16
O=C([O-])COC1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300002232377	1	48	0.0	-77.86	385.24	10.26	-67.60
O=C([O-])COC1=CC=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C=C1	REAL300002232378	0	49	0.0	-85.34	379.80	9.39	-75.95
C[NH+]1CCN(C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C2=CC=CC=C2)CC1	REAL300002232406	1	53	0.0	-73.69	414.29	9.04	-64.65
O=C([O-])COC1=CC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C1	REAL300002232407	0	52	0.0	-80.03	373.39	7.42	-72.61
CCC(C(=O)NC1=CC=C(OCC(=O)[O-])C=C1)[NH+](CC)CC	REAL300002232411	0	46	0.0	-69.72	341.01	7.88	-61.84
CC(C(=O)NC1=CC=C(OCC(=O)[O-])C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002232413	0	47	0.0	-76.87	375.35	9.74	-67.13
CC(C(=O)NC1=CC=C(OCC(=O)[O-])C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002232413	1	47	0.0	-76.41	374.37	9.79	-66.62
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C=C1	REAL300002232424	0	54	0.0	-73.08	417.65	11.98	-61.10
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C=C1	REAL300002232424	1	54	0.0	-73.11	417.63	11.98	-61.13
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C=N1	REAL300002232450	0	43	0.0	-80.79	354.43	7.37	-73.42
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(OCC(=O)[O-])C=C1	REAL300002232461	0	52	0.0	-77.02	402.45	9.97	-67.05
O=C([O-])COC1=CC=C(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C=C1	REAL300002232462	1	52	0.0	-76.05	408.59	7.70	-68.35
CC[N@H+](C)C(C(=O)NC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002232463	1	47	0.0	-71.46	372.70	9.91	-61.55
CC[N@@H+](C)C(C(=O)NC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002232463	1	47	0.0	-71.60	373.13	9.87	-61.73
CC[NH+](CC)C(C(=O)NC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002232468	0	50	0.0	-73.78	379.04	10.00	-63.78
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(OCC(=O)[O-])C=C1	REAL300002232475	1	42	0.0	-71.18	346.10	8.48	-62.70
C[NH+](C)C(C(=O)NC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=C(Cl)C=C1	REAL300002232479	1	44	0.0	-77.29	371.61	9.77	-67.52
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1	REAL300002232492	0	48	0.0	-83.21	383.15	10.40	-72.81
O=C([O-])COC1=CC=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=C1	REAL300002232499	0	51	0.0	-76.90	400.20	11.08	-65.82
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)CC2)CC1	REAL300002232505	0	59	0.0	-80.65	430.87	8.47	-72.18
CC1C[NH+](CC2=CC=C(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)C=C2)CC(C)O1	REAL300002232513	1	55	0.0	-86.58	433.21	10.13	-76.45
O=C([O-])COC1=CC=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300002232526	1	52	0.0	-87.41	408.00	10.17	-77.24
O=C([O-])COC1=CC=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300002232526	1	52	0.0	-84.55	414.51	10.22	-74.33
O=C([O-])COC1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=C1	REAL300002232542	0	51	0.0	-74.36	389.51	10.71	-63.65
O=C([O-])COC1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=C1	REAL300002232542	1	51	0.0	-73.64	398.85	10.90	-62.74
CC1=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002232544	1	42	0.0	-82.48	354.41	7.63	-74.85
O=C([O-])COC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1	REAL300002232552	0	51	0.0	-83.49	399.89	11.11	-72.38
O=C([O-])COC1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1	REAL300002232565	1	44	0.0	-80.44	363.87	7.85	-72.59
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300002232566	0	47	0.0	-84.98	380.82	10.09	-74.89
O=C([O-])COC1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300002232579	1	49	0.0	-84.21	387.16	9.52	-74.69
O=C([O-])COC1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300002232579	1	49	0.0	-84.08	387.16	9.52	-74.56
CC(C(=O)NC1=CC=C(OCC(=O)[O-])C=C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002232591	0	57	0.0	-75.26	438.68	12.23	-63.03
C[N@H+](CC(=O)NC1=CC=C(OCC(=O)[O-])C=C1)CC(C)(C)C	REAL300002232643	0	46	0.0	-76.36	350.71	8.31	-68.05
C[N@@H+](CC(=O)NC1=CC=C(OCC(=O)[O-])C=C1)CC(C)(C)C	REAL300002232643	1	46	0.0	-76.38	350.41	8.32	-68.06
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CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)[C@@H](C(F)(F)F)C1	REAL300002233471	1	50	0.0	-76.12	393.24	9.02	-67.10
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300002233623	0	47	0.0	-75.42	363.73	8.77	-66.65
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300002233623	1	47	0.0	-69.63	357.73	8.95	-60.68
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(OCC(=O)[O-])C=C1	REAL300002233656	0	47	0.0	-72.51	365.06	8.94	-63.57
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(OCC(=O)[O-])C=C1	REAL300002233656	1	47	0.0	-73.92	359.20	8.43	-65.49
O=C([O-])COC1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1	REAL300002233657	1	45	0.0	-80.26	354.16	4.92	-75.34
O=C([O-])COC1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C1	REAL300002233759	0	52	0.0	-81.66	409.05	11.25	-70.41
O=C([O-])COC1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C1	REAL300002233759	1	52	0.0	-85.35	411.30	11.22	-74.13
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300002233899	0	47	0.0	-73.82	358.88	8.54	-65.28
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300002233899	1	47	0.0	-68.75	352.88	8.72	-60.03
C[N@@H+]1CC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300002233900	0	41	0.0	-87.05	334.60	7.80	-79.25
C[N@H+]1CC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300002233900	1	41	0.0	-82.87	337.56	7.29	-75.58
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(OCC(=O)[O-])C=C2)N1	REAL300002233924	1	42	0.0	-71.62	350.42	7.05	-64.57
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300002234433	0	47	0.0	-78.68	380.83	10.08	-68.60
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300002234441	0	48	0.0	-83.10	388.11	9.04	-74.06
O=C([O-])COC1=CC=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300002234542	0	54	0.0	-78.00	420.19	11.68	-66.32
CC1CN(CC2=CC=C(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)C=C2)CCO1	REAL300002234544	0	52	0.0	-85.95	405.69	9.42	-76.53
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)C=C2)CCO1	REAL300002234544	1	52	0.0	-86.09	405.75	9.42	-76.67
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)C=C2)CCO1	REAL300002234544	1	52	0.0	-86.09	405.75	9.42	-76.67
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300002234591	0	47	0.0	-70.73	352.72	8.44	-62.29
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)=CN21	REAL300002234595	0	39	0.0	-72.81	331.77	9.04	-63.77
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300002234660	0	50	0.0	-70.28	372.48	9.62	-60.66
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300002234660	1	50	0.0	-74.91	381.41	9.44	-65.47
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300002234661	0	44	0.0	-69.23	336.40	8.24	-60.99
CC[N@H+]1CCCC(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300002234661	1	44	0.0	-69.27	336.24	8.20	-61.07
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)O1	REAL300002234667	1	41	0.0	-82.49	343.66	7.47	-75.02
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300002234673	0	50	0.0	-78.95	362.87	8.40	-70.55
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300002234673	1	50	0.0	-77.93	370.22	8.88	-69.05
O=C([O-])COC1=CC=C(NC(=O)C23CC(C2)CN3C2CC2)C=C1	REAL300002234676	0	43	0.0	-74.96	344.14	8.33	-66.63
O=C([O-])COC1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300002234676	1	43	0.0	-73.89	338.23	8.47	-65.42
O=C([O-])COC1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300002234676	1	43	0.0	-74.96	344.14	8.33	-66.63
CC(CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1)C(=O)[O-]	REAL300002235739	0	53	0.0	-56.35	387.91	11.51	-44.84
CC1=[NH+]C=C2CCC(C(=O)N(CC(C)C(=O)[O-])C3CC3)CN12	REAL300002237027	1	45	0.0	-64.49	330.76	8.86	-55.63
CC1=NC(C[NH+]2CCC(C(=O)N(CC(C)C(=O)[O-])C3CC3)CC2)=CS1	REAL300002237079	1	52	0.0	-54.10	397.59	9.47	-44.63
CC(CN(C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1CC1)C(=O)[O-]	REAL300002237141	0	56	0.0	-78.09	425.38	11.43	-66.66
CC(CN(C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C1CC1)C(=O)[O-]	REAL300002237147	0	56	0.0	-63.68	415.20	13.76	-49.92
CC(CN(C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C1CC1)C(=O)[O-]	REAL300002237147	1	56	0.0	-68.24	421.31	13.24	-55.00
CC(CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CC1)C(=O)[O-]	REAL300002237215	0	52	0.0	-73.15	339.80	9.53	-63.62
CC(CN(C(=O)CC[N@H+](C)C1CCCCC1)C1CC1)C(=O)[O-]	REAL300002237217	0	52	0.0	-76.08	372.90	10.30	-65.78
CC(CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC1)C(=O)[O-]	REAL300002237217	1	52	0.0	-53.28	367.09	10.30	-42.98
CC(CN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1CC1)C(=O)[O-]	REAL300002237276	0	46	0.0	-62.18	354.97	8.68	-53.50
CC(CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C1CC1)C(=O)[O-]	REAL300002237295	0	54	0.0	-59.00	380.56	8.83	-50.17
CC(CN(C(=O)CCCC[NH+]1CCOCC1)C1CC1)C(=O)[O-]	REAL300002237319	1	50	0.0	-60.35	367.88	8.39	-51.96
CC[N@H+](CC1=CC=C(C(=O)N(CC(C)C(=O)[O-])C2CC2)C=C1)C(C)C	REAL300002237320	0	55	0.0	-51.73	385.70	11.23	-40.50
CC[N@@H+](CC1=CC=C(C(=O)N(CC(C)C(=O)[O-])C2CC2)C=C1)C(C)C	REAL300002237320	1	55	0.0	-53.16	384.02	11.14	-42.02
CC(CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1CC1)C(=O)[O-]	REAL300002237337	0	50	0.0	-51.40	375.62	11.04	-40.36
CC(CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1)C(=O)[O-]	REAL300002237337	1	50	0.0	-54.09	369.59	10.85	-43.24
CC(CN(C(=O)C1CC[NH+](C2CCSC2)CC1)C1CC1)C(=O)[O-]	REAL300002237338	0	51	0.0	-57.46	374.67	10.45	-47.01
CC(CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C1CC1)C(=O)[O-]	REAL300002237360	0	54	0.0	-51.28	370.10	8.66	-42.62
CC(CN(C(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C1CC1)C(=O)[O-]	REAL300002237363	0	49	0.0	-45.85	363.33	10.61	-35.24
CC(CN(C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C1CC1)C(=O)[O-]	REAL300002237363	1	49	0.0	-44.62	364.96	10.67	-33.95
CC(CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1CC1)C(=O)[O-]	REAL300002237371	0	56	0.0	-52.27	406.10	12.82	-39.45
CC(CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1CC1)C(=O)[O-]	REAL300002237371	1	56	0.0	-54.48	406.01	12.25	-42.23
CC(CN(C(=O)C1=CC=C(C[NH+](C)C)N=C1)C1CC1)C(=O)[O-]	REAL300002237388	0	45	0.0	-61.40	340.47	7.70	-53.70
CCC[NH+](CCC)CCCC(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300002237395	0	54	0.0	-56.45	388.31	10.78	-45.67
CC(CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1CC1)C(=O)[O-]	REAL300002237413	0	50	0.0	-59.88	369.25	10.71	-49.17
CC(CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1CC1)C(=O)[O-]	REAL300002237418	0	53	0.0	-63.22	386.23	11.50	-51.72
CCC(C(=O)N(CC(C)C(=O)[O-])C1CC1)[N@@H+]1CCOC(CC)C1	REAL300002237421	1	53	0.0	-47.07	370.06	8.48	-38.59
CCC(C(=O)N(CC(C)C(=O)[O-])C1CC1)[N@H+]1CCOC(CC)C1	REAL300002237421	1	53	0.0	-43.07	370.48	8.76	-34.31
CCN1CCC([NH+]2CCC(C(=O)N(CC(C)C(=O)[O-])C3CC3)CC2)CC1	REAL300002237424	0	61	0.0	-52.81	422.80	9.30	-43.51
CC(CN(C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C1CC1)C(=O)[O-]	REAL300002237431	1	57	0.0	-62.94	420.19	10.52	-52.42
CC(CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1CC1)C(=O)[O-]	REAL300002237440	1	54	0.0	-80.89	398.46	10.51	-70.38
CC(CN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CC1)C(=O)[O-]	REAL300002237440	1	54	0.0	-84.04	407.53	11.32	-72.72
CC1=C(C(=O)N(CC(C)C(=O)[O-])C2CC2)C=NN1C1=CC=[NH+]C=C1	REAL300002237454	1	44	0.0	-69.80	337.43	8.25	-61.55
CC(CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1CC1)C(=O)[O-]	REAL300002237457	0	53	0.0	-59.77	386.56	11.44	-48.33
CC(CN(C(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1CC1)C(=O)[O-]	REAL300002237468	1	46	0.0	-65.61	355.40	9.44	-56.17
CC(CN(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1CC1)C(=O)[O-]	REAL300002237469	0	49	0.0	-64.83	367.81	10.47	-54.36
CC(CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1CC1)C(=O)[O-]	REAL300002237473	1	51	0.0	-69.53	369.28	10.18	-59.35
CC(CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CC1)C(=O)[O-]	REAL300002237473	1	51	0.0	-48.34	373.32	10.23	-38.11
CC(CN(C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C1CC1)C(=O)[O-]	REAL300002237482	0	59	0.0	-46.20	426.47	12.94	-33.26
CC(CN(C(=O)C(C)[NH+]1CCSCC1)C1CC1)C(=O)[O-]	REAL300002237504	1	44	0.0	-45.55	328.54	8.51	-37.04
CC(CN(C(=O)C[N@H+](C)CCC1=CC=CC=C1)C1CC1)C(=O)[O-]	REAL300002237511	0	49	0.0	-73.33	373.92	11.09	-62.24
CC(CN(C(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1CC1)C(=O)[O-]	REAL300002237511	1	49	0.0	-51.38	373.09	11.20	-40.18
COCCOCC[N@H+](C)CCC(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300002237512	0	53	0.0	-74.67	400.35	7.30	-67.37
COCCOCC[N@@H+](C)CCC(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300002237512	1	53	0.0	-76.75	402.68	7.33	-69.42
CC(CN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1)C(=O)[O-]	REAL300002237519	0	58	0.0	-61.08	423.91	10.95	-50.13
CC(CN(C(=O)C[N@H+](C)C1CCSC1)C1CC1)C(=O)[O-]	REAL300002237541	0	44	0.0	-74.67	335.78	8.97	-65.70
CC(CN(C(=O)C[N@@H+](C)C1CCSC1)C1CC1)C(=O)[O-]	REAL300002237541	1	44	0.0	-74.63	334.15	8.93	-65.70
CC(C)[NH+]1CCN(CCC(=O)N(CC(C)C(=O)[O-])C2CC2)CC1	REAL300002237551	0	54	0.0	-52.98	389.47	8.00	-44.98
CC(C)N1CC[NH+](CCC(=O)N(CC(C)C(=O)[O-])C2CC2)CC1	REAL300002237551	1	54	0.0	-74.87	383.99	7.67	-67.20
CC(C)[NH+]1CCN(CCCC(=O)N(CC(C)C(=O)[O-])C2CC2)CC1	REAL300002237552	0	57	0.0	-74.14	406.24	8.32	-65.82
CC(C)N1CC[NH+](CCCC(=O)N(CC(C)C(=O)[O-])C2CC2)CC1	REAL300002237552	1	57	0.0	-57.15	403.77	8.61	-48.54
CC(CN(C(=O)C1=CN(CC[NH+](C)C)N=C1)C1CC1)C(=O)[O-]	REAL300002237554	0	46	0.0	-67.89	345.04	7.74	-60.15
CC1=CC=CC(N2CC[NH+](CCC(=O)N(CC(C)C(=O)[O-])C3CC3)CC2)=C1	REAL300002237557	0	58	0.0	-78.44	425.54	10.68	-67.76
CC(CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1)C(=O)[O-]	REAL300002237559	0	55	0.0	-79.16	404.94	10.04	-69.12
CC(CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1CC1)C(=O)[O-]	REAL300002237562	0	52	0.0	-61.11	383.34	9.89	-51.22
CC(CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1CC1)C(=O)[O-]	REAL300002237562	1	52	0.0	-57.84	382.37	9.70	-48.14
CC(CN(C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C1CC1)C(=O)[O-]	REAL300002237567	0	50	0.0	-44.59	367.06	11.00	-33.59
CC(CN(C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C1CC1)C(=O)[O-]	REAL300002237567	1	50	0.0	-43.65	367.78	10.97	-32.68
CC(CN(C(=O)C(C)[NH+]1CCN(C2=CC=C(F)C=C2)CC1)C1CC1)C(=O)[O-]	REAL300002237569	1	55	0.0	-51.60	401.11	9.76	-41.84
CC(CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1CC1)C(=O)[O-]	REAL300002237586	0	53	0.0	-58.46	391.77	11.86	-46.60
CC(CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1)C(=O)[O-]	REAL300002237586	1	53	0.0	-58.66	395.33	12.06	-46.60
CC(CN(C(=O)C1=NN(CC[NH+](C)C)C=C1)C1CC1)C(=O)[O-]	REAL300002237597	0	46	0.0	-52.34	351.88	8.68	-43.66
CC(CN(C(=O)C1=CC=NN1CC[NH+](C)C)C1CC1)C(=O)[O-]	REAL300002237598	0	46	0.0	-58.50	344.11	7.84	-50.66
CCC1=[NH+]C=CN1C(C)CC(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300002237599	1	47	0.0	-68.55	359.91	9.89	-58.66
CC(CN(C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1)C1CC1)C(=O)[O-]	REAL300002237602	1	47	0.0	-65.16	350.64	8.31	-56.85
CC(CN(C(=O)C1=NNC(C2CCC[N@H+]2C)=C1)C1CC1)C(=O)[O-]	REAL300002237602	1	47	0.0	-64.17	352.14	8.32	-55.85
CC(CN(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1CC1)C(=O)[O-]	REAL300002237610	0	53	0.0	-61.13	394.80	11.72	-49.41
CC(CN(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1CC1)C(=O)[O-]	REAL300002237610	1	53	0.0	-57.60	394.71	11.55	-46.05
CC(CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1CC1)C(=O)[O-]	REAL300002237614	0	54	0.0	-78.29	401.88	9.43	-68.86
CC(CN(C(=O)C1CC[N@@H+](C2CCCCC2)C1)C1CC1)C(=O)[O-]	REAL300002237650	0	53	0.0	-53.02	375.62	10.67	-42.35
CC(CN(C(=O)C1CC[N@H+](C2CCCCC2)C1)C1CC1)C(=O)[O-]	REAL300002237650	1	53	0.0	-70.82	372.21	10.21	-60.61
CC(CN(C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1CC1)C(=O)[O-]	REAL300002237675	0	55	0.0	-61.03	396.00	9.52	-51.51
CC(CN(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1CC1)C(=O)[O-]	REAL300002237676	0	55	0.0	-59.32	403.21	8.91	-50.41
CC(CN(C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C1CC1)C(=O)[O-]	REAL300002237676	1	55	0.0	-59.85	403.40	8.94	-50.91
CC[NH+](CC)CCOC1=CC=C(C(=O)N(CC(C)C(=O)[O-])C2CC2)C=C1	REAL300002237677	0	56	0.0	-57.31	409.61	10.74	-46.57
CC(CN(C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1CC1)C(=O)[O-]	REAL300002237754	0	57	0.0	-61.82	417.75	8.77	-53.05
CC(CN(C(=O)C1=CC=CC(C[NH+](C)C)=C1)C1CC1)C(=O)[O-]	REAL300002237758	0	46	0.0	-64.78	344.62	9.63	-55.15
CC(CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1CC1)C(=O)[O-]	REAL300002237759	0	53	0.0	-50.46	383.23	11.95	-38.51
CC(CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1)C(=O)[O-]	REAL300002237759	1	53	0.0	-55.29	387.95	11.68	-43.61
CC[NH+]1CCN(CCC(=O)N(CC(C)C(=O)[O-])C2CC2)CC1	REAL300002237800	0	51	0.0	-56.33	371.07	7.30	-49.03
CCN1CC[NH+](CCC(=O)N(CC(C)C(=O)[O-])C2CC2)CC1	REAL300002237800	1	51	0.0	-74.14	369.94	7.33	-66.81
CC(C)C1=[NH+]C=CN1CCC(=O)N(CC(C)C(=O)[O-])C1CC1	REAL300002237806	1	47	0.0	-67.43	358.87	9.86	-57.57
CC(CN(C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C1CC1)C(=O)[O-]	REAL300002237853	1	51	0.0	-73.13	380.47	10.06	-63.07
CC(CN(C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C1CC1)C(=O)[O-]	REAL300002237853	1	51	0.0	-72.78	379.48	9.95	-62.83
CC[NH+](CC)CC1=CC=C(C(=O)N(CC(C)C(=O)[O-])C2CC2)O1	REAL300002237893	0	49	0.0	-51.42	357.63	9.87	-41.55
CC1=CC=C(N2CCC(C(=O)N(CC(C)C(=O)[O-])C3CC3)CC2)[NH+]=C1	REAL300002237894	1	52	0.0	-51.30	381.35	9.40	-41.90
CC(CN(C(=O)C[N@H+](C)CC1=CC=CC=C1)C1CC1)C(=O)[O-]	REAL300002237895	1	46	0.0	-48.82	351.02	10.37	-38.45
CC(CN(C(=O)C[N@@H+](C)CC1=CC=CC=C1)C1CC1)C(=O)[O-]	REAL300002237895	1	46	0.0	-74.26	350.78	10.21	-64.05
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(CC(C)C(=O)[O-])C3CC3)C=C2)CC1	REAL300002237898	0	58	0.0	-60.49	412.51	9.95	-50.54
CC(CN(C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CC1)C(=O)[O-]	REAL300002237907	1	41	0.0	-68.63	323.60	7.70	-60.93
CC(CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1CC1)C(=O)[O-]	REAL300002237934	0	53	0.0	-57.50	384.74	11.45	-46.05
CC(CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1CC1)C(=O)[O-]	REAL300002237934	1	53	0.0	-46.20	392.57	11.55	-34.65
CC(CN(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1CC1)C(=O)[O-]	REAL300002237951	0	54	0.0	-82.02	412.57	11.13	-70.89
CC(CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CC1)C(=O)[O-]	REAL300002237965	0	50	0.0	-50.37	370.54	10.66	-39.71
CC(CN(C(=O)C1C[N@H+](C)CC1C(F)(F)F)C1CC1)C(=O)[O-]	REAL300002238259	0	43	0.0	-57.57	323.75	7.97	-49.60
CC(CN(C(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1CC1)C(=O)[O-]	REAL300002238259	1	43	0.0	-59.39	331.83	8.40	-50.99
CC(CN(C(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1CC1)C(=O)[O-]	REAL300002238599	0	49	0.0	-67.92	367.16	10.48	-57.44
CC(CN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1CC1)C(=O)[O-]	REAL300002238604	0	50	0.0	-60.34	375.11	9.40	-50.94
CC(CN(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1)C(=O)[O-]	REAL300002238676	0	56	0.0	-76.30	412.99	12.61	-63.69
CC(CN(C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C1CC1)C(=O)[O-]	REAL300002238678	1	54	0.0	-64.83	402.39	10.38	-54.45
CC(CN(C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C1CC1)C(=O)[O-]	REAL300002238678	1	54	0.0	-61.57	398.59	9.83	-51.74
CC1=[NH+]C=C2C=CC(C(=O)N(CC(C)C(=O)[O-])C3CC3)=CN21	REAL300002238702	0	41	0.0	-54.38	322.48	9.85	-44.53
CC(C)C[N@@H+]1CCCC(C(=O)N(CC(C)C(=O)[O-])C2CC2)C1	REAL300002238739	0	52	0.0	-49.72	369.12	10.21	-39.51
CC(C)C[N@H+]1CCCC(C(=O)N(CC(C)C(=O)[O-])C2CC2)C1	REAL300002238739	1	52	0.0	-69.47	364.65	9.97	-59.50
O=C([O-])[C@H]1CCCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002239751	0	50	0.0	-85.85	364.67	11.71	-74.14
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC[C@@H]3C(=O)[O-])CC2)=CS1	REAL300002240981	1	49	0.0	-81.00	372.03	9.80	-71.20
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300002241026	0	53	0.0	-90.85	401.53	11.62	-79.23
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300002241031	0	53	0.0	-92.75	407.27	13.82	-78.93
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300002241031	1	53	0.0	-87.93	399.15	13.55	-74.38
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002241142	0	43	0.0	-83.88	341.48	9.53	-74.35
O=C([O-])[C@H]1CCCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002241160	0	51	0.0	-65.50	343.15	8.08	-57.42
CC[N@H+](CC1=CC=C(C(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1)C(C)C	REAL300002241178	0	52	0.0	-84.23	371.93	11.10	-73.13
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1)C(C)C	REAL300002241178	1	52	0.0	-78.80	370.00	11.45	-67.35
O=C([O-])[C@H]1CCCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002241193	0	47	0.0	-75.82	349.24	11.08	-64.74
O=C([O-])[C@H]1CCCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002241193	1	47	0.0	-74.56	348.42	11.06	-63.50
O=C([O-])[C@H]1CCCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002241194	0	48	0.0	-83.60	344.25	10.02	-73.58
O=C([O-])[C@H]1CCCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002241215	0	51	0.0	-76.24	344.20	8.42	-67.82
CC(C(=O)N1CCCC[C@@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002241218	0	46	0.0	-64.76	339.95	10.49	-54.27
CC(C(=O)N1CCCC[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002241218	1	46	0.0	-66.69	340.55	10.53	-56.16
O=C([O-])[C@H]1CCCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002241224	0	53	0.0	-78.58	390.19	12.70	-65.88
O=C([O-])[C@H]1CCCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002241224	1	53	0.0	-61.93	381.69	12.71	-49.22
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002241259	0	47	0.0	-98.27	346.66	11.16	-87.11
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002241263	0	50	0.0	-84.41	364.01	11.81	-72.60
CCN1CCC([NH+]2CCC(C(=O)N3CCCC[C@@H]3C(=O)[O-])CC2)CC1	REAL300002241269	0	58	0.0	-83.05	397.65	9.36	-73.69
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300002241275	1	54	0.0	-99.25	390.41	10.94	-88.31
O=C([O-])[C@H]1CCCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002241285	1	51	0.0	-87.16	381.82	11.02	-76.14
O=C([O-])[C@H]1CCCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002241285	1	51	0.0	-89.72	375.15	10.90	-78.82
CC1=C(C(=O)N2CCCC[C@@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002241299	1	41	0.0	-86.88	323.08	8.25	-78.63
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002241302	0	50	0.0	-79.78	371.66	12.17	-67.61
O=C([O-])[C@H]1CCCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002241312	1	43	0.0	-85.14	328.99	9.26	-75.88
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300002241313	0	46	0.0	-100.52	344.34	10.85	-89.67
O=C([O-])[C@H]1CCCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002241316	1	48	0.0	-73.47	349.77	9.77	-63.70
O=C([O-])[C@H]1CCCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002241316	1	48	0.0	-79.02	350.03	9.84	-69.18
CC(C(=O)N1CCCC[C@@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002241324	0	56	0.0	-66.35	396.37	12.69	-53.66
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300002241350	0	46	0.0	-67.82	346.58	11.12	-56.70
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300002241350	1	46	0.0	-67.94	346.62	11.13	-56.81
COCCOCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300002241351	0	50	0.0	-72.09	375.05	7.23	-64.86
COCCOCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300002241351	1	50	0.0	-76.11	375.64	7.51	-68.60
O=C([O-])[C@H]1CCCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002241357	0	55	0.0	-81.62	401.75	11.01	-70.61
CC(C)[NH+]1CCN(CCC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300002241381	0	51	0.0	-81.13	358.97	7.76	-73.37
CC(C)N1CC[NH+](CCC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300002241381	1	51	0.0	-74.10	362.71	8.08	-66.02
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300002241382	0	54	0.0	-80.77	380.37	8.62	-72.15
CC(C)N1CC[NH+](CCCC(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300002241382	1	54	0.0	-77.91	383.63	8.83	-69.08
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC[C@@H]3C(=O)[O-])CC2)=C1	REAL300002241386	0	55	0.0	-77.42	401.16	10.84	-66.58
O=C([O-])[C@H]1CCCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002241387	0	52	0.0	-77.32	380.26	10.22	-67.10
O=C([O-])[C@H]1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002241390	0	49	0.0	-73.34	360.15	9.76	-63.58
O=C([O-])[C@H]1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002241390	1	49	0.0	-75.64	360.02	9.88	-65.76
CC(C(=O)N1CCCC[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002241394	1	47	0.0	-66.88	341.13	10.89	-55.99
CC(C(=O)N1CCCC[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002241394	1	47	0.0	-66.48	341.40	10.92	-55.56
O=C([O-])[C@H]1CCCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002241410	0	50	0.0	-81.76	370.66	11.95	-69.81
O=C([O-])[C@H]1CCCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002241410	1	50	0.0	-82.23	370.47	11.98	-70.25
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC[C@@H]2C(=O)[O-])=NN1	REAL300002241420	1	44	0.0	-90.12	330.28	8.17	-81.95
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC[C@@H]2C(=O)[O-])=NN1	REAL300002241420	1	44	0.0	-82.80	322.20	7.39	-75.41
O=C([O-])[C@H]1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002241427	0	50	0.0	-73.39	371.68	11.67	-61.72
O=C([O-])[C@H]1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002241427	1	50	0.0	-70.30	365.23	11.78	-58.52
O=C([O-])[C@H]1CCCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002241429	0	51	0.0	-77.70	377.49	9.59	-68.11
O=C([O-])[C@H]1CCCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002241450	0	50	0.0	-72.44	349.95	10.59	-61.85
O=C([O-])[C@H]1CCCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002241450	1	50	0.0	-71.06	352.52	10.62	-60.44
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC[C@@H]3C(=O)[O-])=C2)CC1	REAL300002241466	0	52	0.0	-93.66	389.19	9.65	-84.01
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300002241467	0	52	0.0	-93.24	387.85	9.56	-83.68
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300002241467	1	52	0.0	-98.19	379.92	9.31	-88.88
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300002241468	0	53	0.0	-93.29	392.76	11.30	-81.99
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002241518	0	54	0.0	-101.84	395.07	9.17	-92.67
O=C([O-])[C@H]1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002241520	0	50	0.0	-64.63	357.58	11.76	-52.87
O=C([O-])[C@H]1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002241520	1	50	0.0	-63.59	358.72	11.68	-51.91
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C1N2	REAL300002241598	1	48	0.0	-91.81	357.54	10.37	-81.44
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C1N2	REAL300002241598	1	48	0.0	-92.29	357.62	10.36	-81.93
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC[C@@H]2C(=O)[O-])O1	REAL300002241636	0	46	0.0	-88.51	343.84	9.73	-78.78
CC1=CC=C(N2CCC(C(=O)N3CCCC[C@@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300002241638	1	49	0.0	-82.53	360.80	9.73	-72.80
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300002241641	0	55	0.0	-98.58	389.86	10.38	-88.20
O=C([O-])[C@H]1CCCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300002241648	1	38	0.0	-86.00	309.01	8.30	-77.70
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300002241672	0	50	0.0	-84.04	370.31	11.71	-72.33
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300002241672	1	50	0.0	-72.03	363.15	11.57	-60.46
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300002241687	0	51	0.0	-94.50	388.14	11.02	-83.48
O=C([O-])[C@H]1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002241699	0	47	0.0	-89.81	348.98	10.13	-79.68
C[N@@H+]1CC(C(=O)N2CCCC[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300002241933	0	40	0.0	-84.07	308.52	8.37	-75.70
C[N@H+]1CC(C(=O)N2CCCC[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300002241933	1	40	0.0	-84.16	306.53	8.27	-75.89
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300002242209	0	46	0.0	-87.56	344.95	10.79	-76.77
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300002242212	0	47	0.0	-96.45	350.83	9.58	-86.87
O=C([O-])[C@H]1CCCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002242270	0	53	0.0	-79.91	386.93	12.66	-67.25
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300002242272	1	51	0.0	-98.46	378.22	10.18	-88.28
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300002242272	1	51	0.0	-99.37	369.27	10.18	-89.19
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OCCC3=CC=CC=C3)N=C2)C1	REAL300002242440	1	53	0.0	-52.53	414.89	8.79	-43.74
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OCCC3=CC=CC=C3)N=C2)C1	REAL300002242440	1	53	0.0	-51.22	414.06	8.35	-42.87
CC1=CN(C2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2F)N=C1	REAL300002242565	1	47	0.0	-56.57	373.56	9.17	-47.40
CC1=CN(C2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2F)N=C1	REAL300002242565	1	47	0.0	-56.73	368.34	9.17	-47.56
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC=C3Cl)CC2)C1	REAL300002242694	0	47	0.0	-49.77	378.41	9.72	-40.05
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC=C3Cl)CC2)C1	REAL300002242694	1	47	0.0	-45.86	373.01	9.94	-35.92
CC1=C(C)SC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300002242837	0	42	0.0	-48.69	337.43	5.90	-42.79
CC1=C(C)SC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300002242837	1	42	0.0	-49.02	342.96	5.89	-43.13
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3=CC=C(Cl)S3)C2)C1	REAL300002242947	0	45	0.0	-47.17	365.48	8.10	-39.07
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3=CC=C(Cl)S3)C2)C1	REAL300002242947	1	45	0.0	-50.76	373.81	8.56	-42.20
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC2C2=C(F)C=CC=C2Cl)C1	REAL300002243089	0	44	0.0	-48.91	354.95	9.22	-39.69
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CC2C2=C(F)C=CC=C2Cl)C1	REAL300002243089	1	44	0.0	-43.91	353.03	9.73	-34.18
COC1=CC=CC(OC2=NC=CC=C2CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002243204	0	54	0.0	-52.06	425.68	7.06	-45.00
COC1=CC=CC(OC2=NC=CC=C2CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002243204	1	54	0.0	-51.52	431.81	7.06	-44.46
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1C2=CC=CC=C2C2=CC=CC=C21	REAL300002243378	0	51	0.0	-47.67	388.39	12.59	-35.08
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1C2=CC=CC=C2C2=CC=CC=C21	REAL300002243378	1	51	0.0	-47.65	388.45	12.62	-35.03
CC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300002243532	0	50	0.0	-39.58	353.66	11.46	-28.12
CC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300002243532	1	50	0.0	-42.65	360.30	11.49	-31.16
CC(C)C1=CC=C(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002243625	0	49	0.0	-44.85	366.05	10.48	-34.37
CC(C)C1=CC=C(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002243625	1	49	0.0	-49.11	366.86	10.93	-38.18
CN(CC1=CC=C(S(C)=O)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002243744	0	48	0.0	-59.20	386.21	8.08	-51.12
CN(CC1=CC=C(S(C)=O)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002243744	1	48	0.0	-66.22	380.01	8.10	-58.12
CSCC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002243855	0	44	0.0	-46.89	346.21	8.94	-37.95
CSCC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002243855	1	44	0.0	-47.89	347.99	9.43	-38.46
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002243956	1	51	0.0	-48.37	398.60	10.90	-37.47
CC1=CC=C(OC2=CC=CC=C2)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002243956	1	51	0.0	-46.65	393.84	10.93	-35.72
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(N3C=CN=N3)=C2)C1	REAL300002244066	0	43	0.0	-52.85	336.90	7.23	-45.62
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(N3C=CN=N3)=C2)C1	REAL300002244066	1	43	0.0	-59.68	342.31	7.21	-52.47
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300002244179	0	55	0.0	-46.79	377.38	9.32	-37.47
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300002244179	1	55	0.0	-47.33	383.59	9.34	-37.99
CC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300002244295	0	50	0.0	-50.52	371.02	10.03	-40.49
CC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300002244295	1	50	0.0	-50.48	378.62	9.94	-40.54
COC1=CC=C2C(=C1)CCCC2CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002244421	0	54	0.0	-51.53	396.50	9.06	-42.47
COC1=CC=C2C(=C1)CCCC2CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002244421	1	54	0.0	-48.75	394.48	8.61	-40.14
CC1CCC2=CC=CC=C2C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002244537	0	50	0.0	-48.29	369.49	9.82	-38.47
CC1CCC2=CC=CC=C2C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002244537	1	50	0.0	-45.89	361.32	10.18	-35.71
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C(=O)N(C)C	REAL300002244651	0	50	0.0	-57.20	382.49	7.79	-49.41
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C(=O)N(C)C	REAL300002244651	1	50	0.0	-59.78	377.49	7.82	-51.96
CC1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300002244777	0	50	0.0	-47.54	365.77	9.70	-37.84
CC1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300002244777	1	50	0.0	-48.93	360.95	9.59	-39.34
CC1=COC(C2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300002244901	0	46	0.0	-56.15	368.31	6.39	-49.76
CC1=COC(C2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300002244901	1	46	0.0	-57.63	362.81	6.41	-51.22
CC1=CC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C(C)S1	REAL300002245021	0	46	0.0	-45.79	356.93	8.29	-37.50
CC1=CC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C(C)S1	REAL300002245021	1	46	0.0	-47.17	357.18	8.72	-38.45
CC1=CC=C2OCC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300002245119	0	45	0.0	-47.00	344.93	6.86	-40.14
CC1=CC=C2OCC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300002245119	1	45	0.0	-46.68	345.77	7.31	-39.37
O=C([O-])C1CCC[N@H+](CC(=O)NCCCNC(=O)C2=CC=CC=C2F)C1	REAL300002245240	0	50	0.0	-62.09	399.34	6.72	-55.37
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCNC(=O)C2=CC=CC=C2F)C1	REAL300002245240	1	50	0.0	-61.43	398.70	6.70	-54.73
CCOC1=CC(Cl)=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002245366	0	47	0.0	-47.59	377.53	8.18	-39.41
CCOC1=CC(Cl)=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002245366	1	47	0.0	-45.34	375.61	7.73	-37.61
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C2=CC=NC=C2)C=C1	REAL300002245498	0	52	0.0	-52.02	402.94	9.91	-42.11
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C2=CC=NC=C2)C=C1	REAL300002245498	1	52	0.0	-52.19	397.47	9.93	-42.26
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(C2)NC2=CC=CC=C23)C1	REAL300002245648	0	48	0.0	-53.27	365.24	9.66	-43.61
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(C2)NC2=CC=CC=C23)C1	REAL300002245648	1	48	0.0	-51.93	365.35	9.65	-42.28
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C(=O)NCC3=CC=CC=C3)=C2)C1	REAL300002245761	0	54	0.0	-62.09	422.62	9.44	-52.65
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C(=O)NCC3=CC=CC=C3)=C2)C1	REAL300002245761	1	54	0.0	-53.66	428.09	9.42	-44.24
O=C([O-])C1CCC[N@H+](CC(=O)NC2(CC3=CC=CC=C3)CCCC2)C1	REAL300002245861	0	53	0.0	-47.24	390.69	10.70	-36.54
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(CC3=CC=CC=C3)CCCC2)C1	REAL300002245861	1	53	0.0	-45.85	385.48	10.71	-35.14
CC1=CC=CC=C1C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002245981	0	53	0.0	-48.06	389.44	11.52	-36.54
CC1=CC=CC=C1C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002245981	1	53	0.0	-44.98	381.96	11.06	-33.92
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=C(C(F)(F)F)C=C3)CC2)C1	REAL300002246097	0	53	0.0	-47.11	403.21	11.51	-35.60
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=C(C(F)(F)F)C=C3)CC2)C1	REAL300002246097	1	53	0.0	-50.28	410.71	11.97	-38.31
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(F)C=C2OCC(F)F)C1	REAL300002246199	1	44	0.0	-49.38	353.76	8.06	-41.32
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(F)C=C2OCC(F)F)C1	REAL300002246199	1	44	0.0	-50.13	352.96	7.62	-42.51
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=NC(OC3=CC=C(F)C=C3)=C2)C1	REAL300002246333	0	50	0.0	-53.16	409.85	7.83	-45.33
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=NC(OC3=CC=C(F)C=C3)=C2)C1	REAL300002246333	1	50	0.0	-51.25	403.64	7.81	-43.44
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(OC3=CC=CC(F)=C3)N=C2)C1	REAL300002246450	0	50	0.0	-53.81	409.73	7.82	-45.99
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(OC3=CC=CC(F)=C3)N=C2)C1	REAL300002246450	1	50	0.0	-50.59	403.42	7.81	-42.78
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(=O)N1CCCCC1C	REAL300002246569	0	53	0.0	-47.01	377.78	6.78	-40.23
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(=O)N1CCCCC1C	REAL300002246569	1	53	0.0	-44.69	377.65	7.21	-37.48
O=C([O-])C1CCC[N@H+](CC(=O)N2CSCC2C(=O)N2CCSCC2)C1	REAL300002246680	0	50	0.0	-51.39	385.71	7.98	-43.41
O=C([O-])C1CCC[N@@H+](CC(=O)N2CSCC2C(=O)N2CCSCC2)C1	REAL300002246680	1	50	0.0	-51.61	383.14	9.39	-42.22
COC1=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C2SC(C)=NC2=C1	REAL300002246781	1	46	0.0	-50.41	364.69	6.40	-44.01
COC1=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C2SC(C)=NC2=C1	REAL300002246781	1	46	0.0	-51.67	365.52	6.84	-44.83
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCC1=NC2=C(CCCC2)S1	REAL300002246898	0	49	0.0	-52.19	386.73	7.92	-44.27
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCC1=NC2=C(CCCC2)S1	REAL300002246898	1	49	0.0	-51.39	380.52	7.90	-43.49
O=C([O-])C1CCC[N@H+](CC(=O)NCC(=O)NC2=CC=CC3=CC=CN=C32)C1	REAL300002247028	0	49	0.0	-52.85	390.15	6.34	-46.51
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(=O)NC2=CC=CC3=CC=CN=C32)C1	REAL300002247028	1	49	0.0	-50.17	383.13	6.34	-43.83
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=NC(OC3CCCCC3)=C2)C1	REAL300002247175	0	56	0.0	-51.06	427.41	7.91	-43.15
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=NC(OC3CCCCC3)=C2)C1	REAL300002247175	1	56	0.0	-48.30	421.20	7.89	-40.41
CNC(=O)CN1C=CC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C21	REAL300002247301	0	51	0.0	-56.93	398.19	7.29	-49.64
CNC(=O)CN1C=CC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C21	REAL300002247301	1	51	0.0	-57.19	399.01	7.73	-49.46
CC1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCC2=CC=CC=C21	REAL300002247462	0	50	0.0	-46.53	364.55	9.73	-36.80
CC1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCC2=CC=CC=C21	REAL300002247462	1	50	0.0	-49.73	360.64	9.75	-39.98
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2CNC(=O)C2=CC=CC=C2)C1	REAL300002247562	0	57	0.0	-55.86	422.25	10.58	-45.28
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2CNC(=O)C2=CC=CC=C2)C1	REAL300002247562	1	57	0.0	-57.67	416.64	9.59	-48.08
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C(=O)NC3=CC=CC(F)=C3)CC2)C1	REAL300002247664	0	54	0.0	-55.15	406.49	8.99	-46.16
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C(=O)NC3=CC=CC(F)=C3)CC2)C1	REAL300002247664	1	54	0.0	-58.98	413.70	9.46	-49.52
COC1=NC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2C=C1	REAL300002247816	0	46	0.0	-56.23	363.58	6.16	-50.07
COC1=NC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2C=C1	REAL300002247816	1	46	0.0	-53.82	358.14	6.19	-47.63
CC(C)(C)C1=CC=C(C(C)(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002248016	0	58	0.0	-45.96	413.00	11.01	-34.95
CC(C)(C)C1=CC=C(C(C)(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002248016	1	58	0.0	-46.78	413.09	11.04	-35.74
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3=CC=CC=C3C2)C1	REAL300002248106	0	47	0.0	-43.49	339.54	9.82	-33.67
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3=CC=CC=C3C2)C1	REAL300002248106	1	47	0.0	-46.72	347.10	10.29	-36.43
CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1C(N)=O	REAL300002248201	0	44	0.0	-57.95	340.82	4.75	-53.20
CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1C(N)=O	REAL300002248201	1	44	0.0	-54.90	335.36	4.77	-50.13
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OCC(F)(F)C(F)F)N=C2)C1	REAL300002248309	1	46	0.0	-53.33	378.86	6.30	-47.03
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OCC(F)(F)C(F)F)N=C2)C1	REAL300002248309	1	46	0.0	-52.60	378.28	5.84	-46.76
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3NC(=O)CCCC3=C2)C1	REAL300002248422	0	48	0.0	-56.09	359.98	7.46	-48.63
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3NC(=O)CCCC3=C2)C1	REAL300002248422	1	48	0.0	-56.11	365.49	7.43	-48.68
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NC=C(C3=CC=CC=C3)O2)C1	REAL300002248553	0	46	0.0	-51.12	371.89	5.92	-45.20
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NC=C(C3=CC=CC=C3)O2)C1	REAL300002248553	1	46	0.0	-49.47	365.70	5.90	-43.57
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)(C(N)=O)C1=CC=CC(Cl)=C1	REAL300002248786	1	47	0.0	-55.87	376.53	5.49	-50.38
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)(C(N)=O)C1=CC=CC(Cl)=C1	REAL300002248786	1	47	0.0	-56.59	377.69	5.51	-51.08
CC1=CN(C2=CC=C(C)C=C2NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)N=C1	REAL300002248963	0	50	0.0	-46.30	387.48	10.54	-35.76
CC1=CN(C2=CC=C(C)C=C2NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)N=C1	REAL300002248963	1	50	0.0	-45.92	381.60	10.53	-35.39
CN1C=C(C2=CC=CC=C2CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300002249083	0	50	0.0	-51.70	384.99	9.47	-42.23
CN1C=C(C2=CC=CC=C2CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300002249083	1	50	0.0	-50.35	391.24	9.49	-40.86
COC1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(F)(F)F)C=C1	REAL300002249228	1	47	0.0	-52.27	377.57	7.86	-44.41
COC1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(F)(F)F)C=C1	REAL300002249228	1	47	0.0	-52.43	372.08	7.87	-44.56
CN(CC1=CC=C(Cl)C(F)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002249341	0	43	0.0	-49.57	355.84	10.04	-39.53
CN(CC1=CC=C(Cl)C(F)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002249341	1	43	0.0	-52.29	357.01	10.08	-42.21
CC1=C(C(C)N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)SC(C(C)C)=N1	REAL300002249603	0	54	0.0	-48.79	414.25	9.55	-39.24
CC1=C(C(C)N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)SC(C(C)C)=N1	REAL300002249603	1	54	0.0	-50.34	414.29	9.60	-40.74
CC(C)C1=CC=C(CC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300002249716	0	62	0.0	-46.45	452.97	13.63	-32.82
CC(C)C1=CC=C(CC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300002249716	1	62	0.0	-43.68	445.45	13.18	-30.50
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NOC(CC2=CC=CC=C2)=N1	REAL300002249838	0	51	0.0	-47.62	402.86	6.93	-40.69
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NOC(CC2=CC=CC=C2)=N1	REAL300002249838	1	51	0.0	-48.91	403.72	7.39	-41.52
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NOC(C2=CC=CC=C2)=N1	REAL300002249967	0	48	0.0	-47.15	380.96	6.25	-40.90
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NOC(C2=CC=CC=C2)=N1	REAL300002249967	1	48	0.0	-47.12	381.80	6.71	-40.41
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CSC(CCC3=CC=CC=C3)=N2)C1	REAL300002250094	0	52	0.0	-49.88	426.70	9.69	-40.19
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CSC(CCC3=CC=CC=C3)=N2)C1	REAL300002250094	1	52	0.0	-47.36	419.96	9.65	-37.71
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002250216	0	46	0.0	-55.69	364.83	6.69	-49.00
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002250216	1	46	0.0	-56.00	359.36	6.71	-49.29
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCN(C3=C(F)C=CC=C3F)C2=O)C1	REAL300002250413	0	48	0.0	-57.02	392.98	8.42	-48.60
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCN(C3=C(F)C=CC=C3F)C2=O)C1	REAL300002250413	1	48	0.0	-58.97	392.12	8.38	-50.59
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCN(C3=CC=CC(Cl)=C3)C2=O)C1	REAL300002250533	0	48	0.0	-57.96	389.59	8.41	-49.55
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCN(C3=CC=CC(Cl)=C3)C2=O)C1	REAL300002250533	1	48	0.0	-54.16	387.56	8.36	-45.80
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCN(C3=CC=C(F)C(Cl)=C3)C2=O)C1	REAL300002250711	0	48	0.0	-63.04	395.47	8.44	-54.60
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCN(C3=CC=C(F)C(Cl)=C3)C2=O)C1	REAL300002250711	1	48	0.0	-57.22	394.28	8.41	-48.81
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCN(CCCC3=CC=CC=C3)C2=O)C1	REAL300002250818	0	57	0.0	-55.04	445.13	10.09	-44.95
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCN(CCCC3=CC=CC=C3)C2=O)C1	REAL300002250818	1	57	0.0	-58.38	444.31	10.05	-48.33
CCOC1=CC=C(Cl)C=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002250939	0	50	0.0	-49.73	398.90	8.97	-40.76
CCOC1=CC=C(Cl)C=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002250939	1	50	0.0	-50.11	405.10	8.99	-41.12
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OCC3=CC=CC=N3)C(F)=C2)C1	REAL300002251151	1	50	0.0	-58.42	395.01	8.96	-49.46
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OCC3=CC=CC=N3)C(F)=C2)C1	REAL300002251151	1	50	0.0	-56.83	400.22	8.96	-47.87
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C3=CC=C4OCCC4=C3)=C2)C1	REAL300002251269	0	52	0.0	-52.89	394.91	10.58	-42.31
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C3=CC=C4OCCC4=C3)=C2)C1	REAL300002251269	1	52	0.0	-53.23	400.36	10.55	-42.68
CC1=CC=CC(C)=C1OC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002251398	1	54	0.0	-46.47	412.26	11.26	-35.21
CC1=CC=CC(C)=C1OC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002251398	1	54	0.0	-46.70	412.31	11.71	-34.99
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1S(=O)(=O)N(C)C	REAL300002251577	1	51	0.0	-58.08	392.85	5.77	-52.31
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1S(=O)(=O)N(C)C	REAL300002251577	1	51	0.0	-62.87	387.37	5.77	-57.10
CC1=NC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2S1	REAL300002251697	0	42	0.0	-52.20	336.76	6.99	-45.21
CC1=NC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2S1	REAL300002251697	1	42	0.0	-55.48	337.84	7.42	-48.06
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3=CC=CC(OC(F)F)=C3)C2)C1	REAL300002251903	0	52	0.0	-52.96	398.71	8.68	-44.28
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3=CC=CC(OC(F)F)=C3)C2)C1	REAL300002251903	1	52	0.0	-52.72	404.91	8.50	-44.22
CCOC1=CC=C(C(=O)N(C)C)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002252176	1	54	0.0	-54.79	411.77	7.51	-47.28
CCOC1=CC=C(C(=O)N(C)C)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002252176	1	54	0.0	-58.85	405.83	7.52	-51.33
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NN=C(C3=CC=CC=C3)S2)C1	REAL300002252292	1	45	0.0	-52.71	376.47	7.25	-45.46
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NN=C(C3=CC=CC=C3)S2)C1	REAL300002252292	1	45	0.0	-52.33	370.28	7.23	-45.10
CC(C)C1=CC(Br)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002252408	0	46	0.0	-47.88	361.99	9.66	-38.22
CC(C)C1=CC(Br)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002252408	1	46	0.0	-49.84	362.80	10.11	-39.73
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C3=CC=C(F)C=C3Cl)CC2)C1	REAL300002252517	0	49	0.0	-46.05	382.40	9.07	-36.98
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C3=CC=C(F)C=C3Cl)CC2)C1	REAL300002252517	1	49	0.0	-49.28	389.90	9.53	-39.75
CC(C)(C)C1=CC=C(C(C)(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002252639	0	61	0.0	-48.45	441.95	11.55	-36.90
CC(C)(C)C1=CC=C(C(C)(C)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002252639	1	61	0.0	-45.52	435.24	11.11	-34.41
COCCC(=O)N1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002252765	0	54	0.0	-53.38	402.19	5.76	-47.62
COCCC(=O)N1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002252765	1	54	0.0	-54.60	408.90	5.81	-48.79
CCCN1C(=O)CCC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300002252896	0	54	0.0	-56.68	409.17	9.87	-46.81
CCCN1C(=O)CCC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C21	REAL300002252896	1	54	0.0	-55.05	403.68	9.91	-45.14
COC1=CC=CC=C1C1=NOC(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300002253018	0	52	0.0	-53.64	409.04	6.46	-47.18
COC1=CC=CC=C1C1=NOC(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300002253018	1	52	0.0	-51.70	409.09	6.46	-45.24
NC(=O)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)O1	REAL300002253121	0	41	0.0	-54.36	336.10	2.39	-51.97
NC(=O)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)O1	REAL300002253121	1	41	0.0	-55.01	335.99	2.40	-52.61
NC(=O)CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300002253214	0	53	0.0	-50.53	388.56	5.75	-44.78
NC(=O)CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300002253214	1	53	0.0	-44.00	380.35	5.90	-38.10
CC(=O)N1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300002253332	0	51	0.0	-58.32	379.62	8.20	-50.12
CC(=O)N1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300002253332	1	51	0.0	-59.05	379.17	8.10	-50.95
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300002255130	0	51	0.0	-76.82	402.60	9.91	-66.91
CC1=[NH+]C=C2CCC(C(=O)NC(CC3=CNC4=CC=CC=C34)C(=O)[O-])CN21	REAL300002255154	1	49	0.0	-69.15	396.12	9.64	-59.51
CC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])N1CC[NH+](C)CC1	REAL300002255215	1	52	0.0	-71.22	389.28	6.63	-64.59
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255244	0	47	0.0	-57.86	365.05	8.62	-49.24
C[N@H+]1CCCC[C@H]1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255244	1	47	0.0	-59.35	353.13	8.38	-50.97
C[NH+]1CCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002255303	0	47	0.0	-84.30	373.33	8.49	-75.81
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002255330	0	42	0.0	-77.02	358.67	10.42	-66.60
C[NH+](C)CC1(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CCCCC1	REAL300002255356	0	56	0.0	-84.46	403.63	10.92	-73.54
C[N@H+](CCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CCCCC1	REAL300002255360	0	56	0.0	-72.99	426.92	10.50	-62.49
C[N@@H+](CCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CCCCC1	REAL300002255360	1	56	0.0	-74.44	427.16	10.43	-64.01
C[N@@H+]1CCCC1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255373	0	44	0.0	-57.17	348.85	8.06	-49.11
C[N@H+]1CCCC1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255373	1	44	0.0	-65.20	355.23	7.83	-57.37
C[NH+]1CCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002255418	0	47	0.0	-84.30	373.33	8.49	-75.81
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002255430	0	58	0.0	-61.37	432.32	8.99	-52.38
CC1=[NH+]C=CN1CCCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255460	1	48	0.0	-66.72	394.65	9.93	-56.79
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCCC[NH+]1CCOCC1	REAL300002255461	1	54	0.0	-76.21	422.19	8.56	-67.65
C[C@@H](C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+](C)C	REAL300002255465	0	43	0.0	-60.43	342.08	7.39	-53.04
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255466	0	44	0.0	-56.22	343.93	7.52	-48.70
C[N@H+]1CCC[C@@H]1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255466	1	44	0.0	-58.01	344.83	7.89	-50.12
C[C@H](C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+](C)C	REAL300002255469	0	43	0.0	-57.76	342.07	7.39	-50.37
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002255501	0	54	0.0	-74.84	431.95	11.21	-63.63
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002255501	1	54	0.0	-74.63	432.09	11.30	-63.33
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002255521	0	58	0.0	-67.77	421.25	8.85	-58.92
CCC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+](CC)CC	REAL300002255525	0	52	0.0	-52.87	389.37	9.21	-43.66
CC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002255527	0	53	0.0	-58.19	418.80	11.00	-47.19
CC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002255527	1	53	0.0	-69.48	423.52	10.83	-58.65
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CCC[NH+](CCC)CCCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255549	0	58	0.0	-70.53	441.98	10.89	-59.64
C[N@@H+]1CCOC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002255551	1	45	0.0	-61.15	358.99	7.13	-54.02
C[N@H+]1CCOC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002255551	1	45	0.0	-79.01	358.79	7.17	-71.84
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255558	1	48	0.0	-57.37	389.57	9.71	-47.66
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C[NH+](C)CC1(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002255576	0	47	0.0	-79.99	379.08	8.62	-71.37
C[NH+](C)CCCCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255581	0	49	0.0	-75.14	389.29	9.11	-66.03
CC1=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002255598	1	48	0.0	-86.66	404.27	8.79	-77.87
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002255608	1	50	0.0	-79.80	407.33	9.06	-70.74
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300002255609	0	53	0.0	-88.80	422.95	11.32	-77.48
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255614	1	46	0.0	-59.40	372.02	8.06	-51.34
CCC[N@H+](C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255621	0	46	0.0	-66.25	367.98	8.26	-57.99
CCC[N@@H+](C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255621	1	46	0.0	-58.28	363.15	8.39	-49.89
C[N@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CCC1	REAL300002255635	0	47	0.0	-55.79	370.12	8.96	-46.83
C[N@@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CCC1	REAL300002255635	1	47	0.0	-55.79	369.80	9.02	-46.77
C[N@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])CC(C)(C)C	REAL300002255658	0	52	0.0	-65.25	396.34	9.31	-55.94
C[N@@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])CC(C)(C)C	REAL300002255658	1	52	0.0	-57.88	393.68	9.52	-48.36
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255660	0	53	0.0	-68.81	427.89	11.28	-57.53
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COCCOCC[N@H+](C)CCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255661	0	57	0.0	-73.10	456.91	7.45	-65.65
COCCOCC[N@@H+](C)CCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255661	1	57	0.0	-75.67	456.69	7.53	-68.14
CC[C@@H](C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+](C)C	REAL300002255664	0	46	0.0	-56.72	353.31	8.02	-48.70
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002255666	0	51	0.0	-75.15	396.20	7.26	-67.89
C[N@H+]1CCCC(O)(CC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002255666	1	51	0.0	-59.41	394.20	7.33	-52.08
CCCCCC[N@H+](C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255677	0	55	0.0	-67.21	432.48	10.60	-56.61
CCCCCC[N@@H+](C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255677	1	55	0.0	-59.27	427.64	10.74	-48.53
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CC(C)[NH+]1CCN(CCC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002255715	0	58	0.0	-79.47	443.86	8.07	-71.40
CC(C)N1CC[NH+](CCC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002255715	1	58	0.0	-72.14	440.17	7.87	-64.27
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C[NH+](C)CCN1C=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=N1	REAL300002255718	0	50	0.0	-81.23	407.95	8.54	-72.69
CC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002255727	1	54	0.0	-57.21	419.37	11.48	-45.73
CC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002255727	1	54	0.0	-67.36	423.80	11.41	-55.95
C[NH+](C)CCN1C=CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=N1	REAL300002255752	0	50	0.0	-90.33	408.55	8.51	-81.82
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255753	0	50	0.0	-57.81	389.51	8.46	-49.35
C[C@@H]1[C@H](C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC[N@@H+]1C	REAL300002255755	0	47	0.0	-71.73	361.57	7.89	-63.84
C[C@@H]1[C@H](C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC[N@H+]1C	REAL300002255755	1	47	0.0	-71.46	366.48	8.28	-63.18
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255756	1	51	0.0	-69.37	414.70	10.05	-59.32
CC[C@@H]1[C@@H](C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC[N@@H+]1C	REAL300002255759	0	50	0.0	-74.53	385.69	8.58	-65.95
CC[C@@H]1[C@@H](C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC[N@H+]1C	REAL300002255759	1	50	0.0	-69.34	389.53	9.11	-60.23
CC1C[N@H+](C)CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])O1	REAL300002255766	1	48	0.0	-80.04	380.33	8.07	-71.97
CC1C[N@@H+](C)CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])O1	REAL300002255766	1	48	0.0	-73.21	381.63	8.20	-65.01
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C[NH+]1CCCC1	REAL300002255772	0	44	0.0	-64.56	352.46	7.92	-56.64
CC1=[NH+]C=CN1CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255774	1	42	0.0	-56.53	353.11	8.66	-47.87
CC(C[NH+]1CCOCC1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255776	0	51	0.0	-66.97	390.47	7.50	-59.47
CC1CC[NH+](CC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002255795	0	50	0.0	-66.70	391.71	9.34	-57.36
CC[N@@H+]1CCOC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002255806	1	48	0.0	-86.77	383.70	8.02	-78.75
CC[N@H+]1CCOC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002255806	1	48	0.0	-75.68	373.96	7.92	-67.76
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002255835	0	57	0.0	-61.59	428.47	10.94	-50.65
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C[N@@H+]1CCCC1CCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255841	0	50	0.0	-76.51	396.14	9.33	-67.18
C[N@H+]1CCCC1CCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255841	1	50	0.0	-69.71	385.85	8.98	-60.73
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O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCC2CCCC[N@H+]21	REAL300002255852	1	51	0.0	-55.74	384.59	9.45	-46.29
CC[NH+](CC)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255871	0	46	0.0	-56.98	360.00	8.34	-48.64
CC(C)[NH+]1CCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002255873	0	53	0.0	-80.12	407.41	9.75	-70.37
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C12CC[NH+](CC1)C2	REAL300002255939	0	45	0.0	-72.36	355.31	7.45	-64.91
CCC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+](C)C	REAL300002255942	0	46	0.0	-55.12	354.41	7.96	-47.16
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C12CC[N@H+](C1)CCC2	REAL300002255949	0	48	0.0	-70.95	360.84	8.00	-62.95
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300002255949	1	48	0.0	-82.20	369.40	8.24	-73.96
CC1CCC(C)[NH+]1CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002255984	0	50	0.0	-63.42	385.88	8.86	-54.56
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300002255985	0	50	0.0	-84.08	406.91	10.34	-73.74
C#CC[NH+]1CCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002256028	0	49	0.0	-86.09	398.50	9.71	-76.38
CC[NH+]1CCN(CCC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002256030	0	55	0.0	-81.11	426.61	7.52	-73.59
CCN1CC[NH+](CCC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002256030	1	55	0.0	-72.98	427.36	7.49	-65.49
CC(C)[N@H+](C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002256031	0	46	0.0	-64.34	363.17	8.03	-56.31
CC(C)[N@@H+](C)CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002256031	1	46	0.0	-62.96	362.93	8.11	-54.85
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002256035	1	51	0.0	-62.25	409.34	10.11	-52.14
CC[N@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300002256042	0	47	0.0	-62.29	377.11	8.93	-53.36
CC[N@@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])C1CC1	REAL300002256042	1	47	0.0	-56.67	370.26	8.97	-47.70
CC(C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])[NH+]1CCCCCC1	REAL300002256064	0	53	0.0	-63.94	398.82	9.26	-54.68
C[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002256067	0	44	0.0	-58.48	349.99	7.99	-50.49
C[N@H+]1CCC[C@H]1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002256067	1	44	0.0	-61.02	343.61	7.60	-53.42
CC(C)(C)[NH2+]CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002256129	0	46	0.0	-56.02	362.63	6.76	-49.26
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])O1	REAL300002256131	0	53	0.0	-78.25	424.09	10.17	-68.08
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)CCCC[NH+]1CCCC1	REAL300002256132	0	53	0.0	-72.72	415.01	10.35	-62.37
C[N@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])CC1=CC=CC=C1	REAL300002256134	1	50	0.0	-69.06	405.16	10.50	-58.56
C[N@@H+](CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-])CC1=CC=CC=C1	REAL300002256134	1	50	0.0	-68.81	405.17	10.50	-58.31
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C[NH+](C)CC1=CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=NO1	REAL300002256177	1	46	0.0	-80.77	381.20	7.99	-72.78
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002256190	0	50	0.0	-57.21	382.47	9.18	-48.03
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300002256190	1	50	0.0	-62.24	374.44	8.54	-53.70
C[NH+]1CCC(OCC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002256205	0	51	0.0	-78.69	403.64	9.11	-69.58
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002256209	0	54	0.0	-79.67	428.14	10.61	-69.06
CCC[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002256337	0	53	0.0	-73.31	412.23	9.92	-63.39
CCC[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002256337	1	53	0.0	-72.43	412.50	9.86	-62.57
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CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002256515	0	53	0.0	-54.21	394.18	9.97	-44.24
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002256515	1	53	0.0	-58.20	391.38	9.82	-48.38
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C[N@H+]1CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C(C(F)(F)F)C1	REAL300002256516	1	47	0.0	-77.16	385.79	8.70	-68.46
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])N1	REAL300002256537	1	48	0.0	-68.14	398.75	8.18	-59.96
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300002256887	0	53	0.0	-86.09	429.15	11.23	-74.86
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300002256893	0	54	0.0	-86.43	430.46	10.20	-76.23
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002257005	0	47	0.0	-73.70	378.49	8.57	-65.13
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])CC1	REAL300002257009	0	53	0.0	-62.13	399.41	9.56	-52.57
CC1=[NH+]C=C2C=CC(C(=O)NC(CC3=CNC4=CC=CC=C34)C(=O)[O-])=CN21	REAL300002257013	0	45	0.0	-73.87	380.33	10.13	-63.74
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002257060	0	56	0.0	-64.33	419.67	10.52	-53.81
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002257060	1	56	0.0	-60.44	411.10	10.64	-49.80
CC[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002257061	0	50	0.0	-72.88	390.73	9.17	-63.71
CC[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002257061	1	50	0.0	-66.91	386.05	9.24	-57.67
C[N@@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002257066	0	47	0.0	-68.28	363.99	8.42	-59.86
C[N@H+]1CCCC(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300002257066	1	47	0.0	-68.63	367.66	8.62	-60.01
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])O1	REAL300002257068	1	47	0.0	-81.65	388.47	8.78	-72.87
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002257076	0	49	0.0	-70.10	381.36	9.39	-60.71
O=C([O-])C(CC1=CNC2=CC=CC=C12)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300002257076	1	49	0.0	-61.40	377.33	9.73	-51.67
O=C([O-])C1CCC[N@H+](CC(=O)NCC2C3CC4CC(C3)CC2C4)C1	REAL300002257155	0	54	0.0	-44.40	364.63	8.83	-35.57
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2C3CC4CC(C3)CC2C4)C1	REAL300002257155	1	54	0.0	-47.42	366.54	9.27	-38.15
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C(=O)NC3CCCCC3)C=C2)C1	REAL300002257277	0	57	0.0	-57.54	430.73	9.16	-48.38
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C(=O)NC3CCCCC3)C=C2)C1	REAL300002257277	1	57	0.0	-58.69	430.81	9.14	-49.55
O=C([O-])C1CCC[N@H+](CC(=O)NCC(=O)NC2=CC=C(Cl)C=C2)C1	REAL300002257396	0	44	0.0	-50.51	358.17	5.86	-44.65
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(=O)NC2=CC=C(Cl)C=C2)C1	REAL300002257396	1	44	0.0	-48.84	360.12	6.31	-42.53
CNS(=O)(=O)C1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002257524	0	51	0.0	-56.76	410.16	4.42	-52.34
CNS(=O)(=O)C1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002257524	1	51	0.0	-54.33	404.70	4.45	-49.88
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(NC(=O)NC3=CC=CC=C3)CC2)C1	REAL300002257642	0	56	0.0	-51.14	417.20	7.78	-43.36
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(NC(=O)NC3=CC=CC=C3)CC2)C1	REAL300002257642	1	56	0.0	-53.28	424.68	8.24	-45.04
CC1=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=CC=C1C(=O)N1CCOCC1	REAL300002257747	1	55	0.0	-55.66	413.28	7.72	-47.94
CC1=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=CC=C1C(=O)N1CCOCC1	REAL300002257747	1	55	0.0	-52.59	407.45	7.66	-44.93
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3=CC=C(Cl)C=C3)N=C2)C1	REAL300002257851	1	47	0.0	-52.27	388.23	8.17	-44.10
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3=CC=C(Cl)C=C3)N=C2)C1	REAL300002257851	1	47	0.0	-51.56	386.11	7.80	-43.76
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3=CC=C(Cl)C=N3)C=C2)C1	REAL300002257963	0	47	0.0	-53.76	393.91	8.19	-45.57
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3=CC=C(Cl)C=N3)C=C2)C1	REAL300002257963	1	47	0.0	-52.71	388.09	8.21	-44.50
CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC1=CC=CN=C1	REAL300002258081	0	50	0.0	-53.63	392.86	9.08	-44.55
CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC1=CC=CN=C1	REAL300002258081	1	50	0.0	-52.93	388.08	9.13	-43.80
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(OC3=CC=CN=C3)C(F)=C2)C1	REAL300002258204	0	50	0.0	-55.50	407.90	8.60	-46.90
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(OC3=CC=CN=C3)C(F)=C2)C1	REAL300002258204	1	50	0.0	-51.95	401.95	8.63	-43.32
CNC(=O)C1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002258315	0	50	0.0	-54.81	376.81	5.27	-49.54
CNC(=O)C1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002258315	1	50	0.0	-56.01	376.71	5.28	-50.73
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3N=C(C4CC4)SC3=C2)C1	REAL300002258468	0	46	0.0	-55.89	369.53	9.16	-46.73
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3N=C(C4CC4)SC3=C2)C1	REAL300002258468	1	46	0.0	-52.03	368.17	8.66	-43.37
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CNC3=CC(Cl)=CC=C23)C1	REAL300002258743	0	47	0.0	-49.54	378.71	8.28	-41.26
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CNC3=CC(Cl)=CC=C23)C1	REAL300002258743	1	47	0.0	-52.39	380.62	8.73	-43.66
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1NC(=O)C1=CC=NC=C1	REAL300002258858	0	53	0.0	-54.10	415.21	8.44	-45.66
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1NC(=O)C1=CC=NC=C1	REAL300002258858	1	53	0.0	-52.73	411.08	8.45	-44.28
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3=CC=NC=C3)C=C2)C1	REAL300002259074	0	47	0.0	-53.77	374.11	8.39	-45.38
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3=CC=NC=C3)C=C2)C1	REAL300002259074	1	47	0.0	-53.40	374.52	8.44	-44.96
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCN(CC3=CC=CC=C3)C2=O)C1	REAL300002259255	0	51	0.0	-58.82	402.46	8.55	-50.27
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCN(CC3=CC=CC=C3)C2=O)C1	REAL300002259255	1	51	0.0	-56.69	401.27	8.52	-48.17
O=C([O-])C1CCC[N@H+](CC(=O)NCC(=O)NC2=CC=CC(F)=C2)C1	REAL300002259383	0	44	0.0	-52.40	356.27	5.86	-46.54
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(=O)NC2=CC=CC(F)=C2)C1	REAL300002259383	1	44	0.0	-50.18	350.08	5.84	-44.34
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC3=CC=CN=C32)C1	REAL300002259500	0	45	0.0	-48.81	357.34	7.93	-40.88
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC3=CC=CN=C32)C1	REAL300002259500	1	45	0.0	-49.36	350.61	7.89	-41.47
CC1=CC=C(NC(=O)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(Cl)=C1	REAL300002259620	0	47	0.0	-47.24	379.76	7.09	-40.15
CC1=CC=C(NC(=O)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(Cl)=C1	REAL300002259620	1	47	0.0	-48.01	377.83	6.65	-41.36
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300002259744	0	48	0.0	-53.20	395.45	10.66	-42.54
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300002259744	1	48	0.0	-51.33	391.17	10.69	-40.64
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3CCSCC3)C(Cl)=C2)C1	REAL300002259851	0	50	0.0	-50.51	399.38	9.45	-41.06
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3CCSCC3)C(Cl)=C2)C1	REAL300002259851	1	50	0.0	-51.76	404.61	9.44	-42.32
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(Cl)=CC=C2N2CCSCC2)C1	REAL300002259939	1	50	0.0	-48.96	398.29	9.57	-39.39
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(Cl)=CC=C2N2CCSCC2)C1	REAL300002259939	1	50	0.0	-47.65	397.47	9.13	-38.52
O=C([O-])C1CCC[N@H+](CC(=O)N2CC(=O)NC3CCCCC32)C1	REAL300002260024	0	48	0.0	-51.64	348.23	5.86	-45.78
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC(=O)NC3CCCCC32)C1	REAL300002260024	1	48	0.0	-49.63	342.09	5.83	-43.80
CC1=CN=C(C(C)(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300002260118	0	45	0.0	-46.52	354.28	6.51	-40.01
CC1=CN=C(C(C)(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300002260118	1	45	0.0	-44.83	347.56	6.07	-38.76
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCCC2OC2=CC=CC=C2)C1	REAL300002260361	0	54	0.0	-46.13	399.03	9.59	-36.54
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCCC2OC2=CC=CC=C2)C1	REAL300002260361	1	54	0.0	-45.39	393.78	9.55	-35.84
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCN(C3=CC=C(C(F)(F)F)C=C3)C2)C1	REAL300002260464	0	52	0.0	-48.96	401.88	7.73	-41.23
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCN(C3=CC=C(C(F)(F)F)C=C3)C2)C1	REAL300002260464	1	52	0.0	-51.74	408.72	8.18	-43.56
CC1=CC=CC(OC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=N2)=C1C	REAL300002260677	1	53	0.0	-52.34	407.96	8.42	-43.92
CC1=CC=CC(OC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=N2)=C1C	REAL300002260677	1	53	0.0	-53.63	409.25	8.86	-44.77
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3CCC(=O)NC3=C2)C1	REAL300002260797	0	45	0.0	-57.56	344.59	6.50	-51.06
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3CCC(=O)NC3=C2)C1	REAL300002260797	1	45	0.0	-56.26	350.09	6.48	-49.78
CC1=CC=CC(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(F)(F)F)=C1	REAL300002260914	1	46	0.0	-49.66	369.47	9.22	-40.44
CC1=CC=CC(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(F)(F)F)=C1	REAL300002260914	1	46	0.0	-50.48	370.67	9.25	-41.23
COC1=CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300002261032	0	47	0.0	-55.12	367.72	7.54	-47.58
COC1=CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300002261032	1	47	0.0	-52.07	365.82	7.09	-44.98
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(CCC3=CC=CC=C3)C2)C1	REAL300002261224	0	54	0.0	-45.96	401.66	10.01	-35.95
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(CCC3=CC=CC=C3)C2)C1	REAL300002261224	1	54	0.0	-49.24	408.32	10.45	-38.79
CC1=NC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C(C)O1	REAL300002261318	0	45	0.0	-54.91	350.57	4.29	-50.62
CC1=NC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C(C)O1	REAL300002261318	1	45	0.0	-54.36	355.33	4.25	-50.11
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=C(F)C=C3F)CC2)C1	REAL300002261427	0	47	0.0	-49.98	377.35	9.67	-40.31
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=C(F)C=C3F)CC2)C1	REAL300002261427	1	47	0.0	-47.69	371.46	9.64	-38.05
CC(C)OC1=CC(Br)=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002261598	1	47	0.0	-49.55	374.50	8.33	-41.22
CC(C)OC1=CC(Br)=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002261598	1	47	0.0	-51.74	375.28	8.78	-42.96
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL300002261700	0	48	0.0	-46.74	397.68	6.77	-39.97
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NOC(C2=CC=C(Cl)C=C2)=N1	REAL300002261700	1	48	0.0	-47.72	398.52	7.23	-40.49
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300002261816	0	53	0.0	-48.38	404.30	11.14	-37.24
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300002261816	1	53	0.0	-51.67	406.21	11.59	-40.08
CCOCCC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC1	REAL300002261934	0	53	0.0	-46.56	389.37	7.68	-38.88
CCOCCC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC1	REAL300002261934	1	53	0.0	-48.18	395.37	7.71	-40.47
CCNS(=O)(=O)C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002262053	0	48	0.0	-54.24	372.54	3.35	-50.89
CCNS(=O)(=O)C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002262053	1	48	0.0	-58.59	371.81	3.43	-55.16
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC2CCC2)C2=CC=CC=C2)C1	REAL300002262172	0	53	0.0	-50.68	397.66	11.64	-39.04
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC2CCC2)C2=CC=CC=C2)C1	REAL300002262172	1	53	0.0	-48.80	404.22	11.52	-37.28
CC1=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(=O)N(C)C=C1	REAL300002262245	0	43	0.0	-52.21	330.12	7.66	-44.55
CC1=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(=O)N(C)C=C1	REAL300002262245	1	43	0.0	-60.89	331.47	7.74	-53.15
CC(C)(C)C1=NN=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300002262348	1	47	0.0	-51.77	372.03	6.02	-45.75
CC(C)(C)C1=NN=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300002262348	1	47	0.0	-51.88	378.23	6.04	-45.84
CN1C=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C(Br)C1=O	REAL300002262474	0	40	0.0	-63.78	338.02	6.72	-57.06
CN1C=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C(Br)C1=O	REAL300002262474	1	40	0.0	-64.43	332.99	6.74	-57.69
CCC1=NOC(CC)=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002262590	0	48	0.0	-49.04	370.77	7.70	-41.34
CCC1=NOC(CC)=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002262590	1	48	0.0	-52.06	377.93	7.76	-44.30
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CN(C3=CC=CC=C3)N=N2)C1	REAL300002262711	0	46	0.0	-54.92	369.61	7.24	-47.68
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CN(C3=CC=CC=C3)N=N2)C1	REAL300002262711	1	46	0.0	-50.70	363.42	7.21	-43.49
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CN(C2=CC=CC=C2)N=N1	REAL300002262830	0	52	0.0	-50.25	400.70	8.57	-41.68
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CN(C2=CC=CC=C2)N=N1	REAL300002262830	1	52	0.0	-47.62	395.23	8.60	-39.02
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2OC2=CC(F)=CC(F)=C2)C1	REAL300002262947	1	48	0.0	-46.96	385.29	10.41	-36.55
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COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)C1(C[NH+](C)C)CC1)CC2	REAL300002264320	0	55	0.0	-81.48	404.15	10.01	-71.47
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)CCCC[NH+](C)C)CC2	REAL300002264322	0	57	0.0	-77.24	420.27	10.37	-66.87
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-]	REAL300002264337	1	54	0.0	-64.37	413.75	9.27	-55.10
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COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)C[NH+]1CCCC1)CC2	REAL300002264401	0	52	0.0	-64.01	380.17	9.39	-54.62
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)CN1C=C[NH+]=C1C)CC2	REAL300002264403	1	50	0.0	-57.86	383.29	9.77	-48.09
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)C[NH+]1CCC(C)CC1)CC2	REAL300002264419	0	58	0.0	-61.62	417.50	10.61	-51.01
CC[N@@H+]1CCOC(C(=O)N2CCC3=CC(OC)=C(OC)C=C3C2CC(=O)[O-])C1	REAL300002264422	1	56	0.0	-86.47	409.83	9.08	-77.39
CC[N@H+]1CCOC(C(=O)N2CCC3=CC(OC)=C(OC)C=C3C2CC(=O)[O-])C1	REAL300002264422	1	56	0.0	-52.54	389.96	8.41	-44.13
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)CCC1CCC[N@@H+]1C)CC2	REAL300002264434	0	58	0.0	-70.37	423.69	10.75	-59.62
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)CCC1CCC[N@H+]1C)CC2	REAL300002264434	1	58	0.0	-80.06	422.18	10.85	-69.21
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COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)C13CC[NH+](CC1)C3)CC2	REAL300002264464	0	53	0.0	-85.68	380.44	8.78	-76.90
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COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)C13CC[N@H+](C1)CCC3)CC2	REAL300002264468	0	56	0.0	-78.08	393.83	9.50	-68.58
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)C13CC[N@@H+](C1)CCC3)CC2	REAL300002264468	1	56	0.0	-91.73	386.52	9.22	-82.51
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)C[NH+]1C(C)CCC1C)CC2	REAL300002264484	0	58	0.0	-57.49	408.18	9.57	-47.92
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)C[N@H+](C)C(C)C)CC2	REAL300002264501	0	54	0.0	-59.37	389.37	9.35	-50.02
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)C[N@@H+](C)C(C)C)CC2	REAL300002264501	1	54	0.0	-57.64	389.37	9.34	-48.30
CC[N@H+](CC(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC(=O)[O-])C1CC1	REAL300002264508	0	55	0.0	-59.14	410.40	10.59	-48.55
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COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)CC2	REAL300002264839	0	55	0.0	-67.00	403.07	9.88	-57.12
CC[N@@H+]1CCCC(C(=O)N2CCC3=CC(OC)=C(OC)C=C3C2CC(=O)[O-])C1	REAL300002264854	0	58	0.0	-79.67	417.07	10.62	-69.05
CC[N@H+]1CCCC(C(=O)N2CCC3=CC(OC)=C(OC)C=C3C2CC(=O)[O-])C1	REAL300002264854	1	58	0.0	-70.14	415.90	10.82	-59.32
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)C1CCC[N@H+](C)C1)CC2	REAL300002264857	0	55	0.0	-75.50	393.47	9.90	-65.60
COC1=CC2=C(C=C1OC)C(CC(=O)[O-])N(C(=O)C1CCC[N@@H+](C)C1)CC2	REAL300002264857	1	55	0.0	-62.13	389.43	9.95	-52.18
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CC1=[NH+]C=C2CCC(C(=O)NC3(C(=O)[O-])CCCCCC3)CN21	REAL300002267306	1	48	0.0	-65.54	339.26	9.96	-55.58
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CC(C(=O)NC1(C(=O)[O-])CCCCCC1)N1CC[NH+](C)CC1	REAL300002267368	1	51	0.0	-68.89	342.54	6.95	-61.94
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C[N@H+](CCC(=O)NC1(C(=O)[O-])CCCCCC1)C1CCCCC1	REAL300002267524	0	55	0.0	-69.06	370.02	10.82	-58.24
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CC[N@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCCCC2)C=C1)C(C)C	REAL300002267631	0	58	0.0	-87.51	390.90	12.19	-75.32
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CC(C(=O)NC1(C(=O)[O-])CCCCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300002267683	0	52	0.0	-65.24	362.63	11.09	-54.15
CC(C(=O)NC1(C(=O)[O-])CCCCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300002267683	1	52	0.0	-59.70	362.38	11.03	-48.67
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O=C([O-])C1(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCCCCC1	REAL300002267739	0	56	0.0	-75.77	391.32	12.59	-63.18
CCN1CCC([NH+]2CCC(C(=O)NC3(C(=O)[O-])CCCCCC3)CC2)CC1	REAL300002267745	0	64	0.0	-78.72	422.40	10.03	-68.69
CC1C[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCCCC3)C=C2)CC(C)O1	REAL300002267752	1	60	0.0	-89.05	424.63	11.63	-77.42
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NC1(C(=O)[O-])CCCCCC1	REAL300002267763	1	57	0.0	-81.03	395.53	10.96	-70.07
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NC1(C(=O)[O-])CCCCCC1	REAL300002267763	1	57	0.0	-82.15	405.98	11.49	-70.66
CC1=C(C(=O)NC2(C(=O)[O-])CCCCCC2)C=NN1C1=CC=[NH+]C=C1	REAL300002267779	1	47	0.0	-81.79	345.72	9.03	-72.76
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCCCCC1	REAL300002267782	0	56	0.0	-85.34	395.44	12.34	-73.00
O=C([O-])C1(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCCCCC1	REAL300002267793	1	49	0.0	-79.94	354.99	9.35	-70.59
C[NH+](C)CCC1=CC=C(C(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300002267794	0	52	0.0	-91.62	372.24	11.59	-80.03
CNC1=[NH+]C(C)=CC=C1C(=O)NC1(C(=O)[O-])CCCCCC1	REAL300002267799	1	45	0.0	-60.99	320.87	8.21	-52.78
O=C([O-])C1(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCCCCC1	REAL300002267800	1	54	0.0	-60.05	376.45	10.69	-49.36
O=C([O-])C1(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCCCCC1	REAL300002267800	1	54	0.0	-75.05	385.76	10.88	-64.17
CC(C(=O)NC1(C(=O)[O-])CCCCCC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002267810	0	62	0.0	-62.33	425.75	13.55	-48.78
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300002267846	0	52	0.0	-63.73	370.74	11.58	-52.15
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300002267846	1	52	0.0	-64.00	370.75	11.58	-52.42
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300002267847	0	56	0.0	-68.34	399.75	7.83	-60.51
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300002267847	1	56	0.0	-71.84	399.79	7.86	-63.98
C[N@@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300002267850	0	50	0.0	-66.61	331.63	6.90	-59.71
C[N@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300002267850	1	50	0.0	-70.08	329.36	7.06	-63.02
O=C([O-])C1(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCCCC1	REAL300002267857	0	61	0.0	-76.25	425.89	11.35	-64.90
CCCCCC[N@H+](C)CC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300002267859	0	54	0.0	-62.56	375.34	10.90	-51.66
CCCCCC[N@@H+](C)CC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300002267859	1	54	0.0	-62.35	375.33	10.90	-51.45
O=C([O-])C1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CCCCCC1	REAL300002267869	1	41	0.0	-81.59	302.04	10.77	-70.82
C[N@H+](CC(=O)NC1(C(=O)[O-])CCCCCC1)C1CCSC1	REAL300002267885	0	47	0.0	-64.90	330.95	9.39	-55.51
C[N@@H+](CC(=O)NC1(C(=O)[O-])CCCCCC1)C1CCSC1	REAL300002267885	1	47	0.0	-64.77	330.95	9.36	-55.41
CC(C)[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300002267898	0	57	0.0	-75.71	386.95	8.41	-67.30
CC(C)N1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300002267898	1	57	0.0	-67.98	383.78	8.24	-59.74
CC(C)[NH+]1CCN(CCCC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300002267899	0	60	0.0	-74.53	403.35	8.84	-65.69
CC(C)N1CC[NH+](CCCC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300002267899	1	60	0.0	-72.07	404.96	9.01	-63.06
O=C([O-])C1(NC(=O)C2CCCC3CCC[N@@H+]32)CCCCCC1	REAL300002267900	0	50	0.0	-56.74	336.65	9.78	-46.96
O=C([O-])C1(NC(=O)C2CCCC3CCC[N@H+]32)CCCCCC1	REAL300002267900	1	50	0.0	-60.40	325.72	9.50	-50.90
C[NH+](C)CCN1C=C(C(=O)NC2(C(=O)[O-])CCCCCC2)C=N1	REAL300002267902	0	49	0.0	-83.68	355.92	8.77	-74.91
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3(C(=O)[O-])CCCCCC3)CC2)=C1	REAL300002267905	0	61	0.0	-71.87	425.82	11.24	-60.63
O=C([O-])C1(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCCCC1	REAL300002267907	0	58	0.0	-72.30	404.41	10.57	-61.73
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCCCCC1	REAL300002267909	0	55	0.0	-65.86	378.74	10.68	-55.18
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCCCCC1	REAL300002267909	1	55	0.0	-71.71	387.57	10.57	-61.14
CC(C(=O)NC1(C(=O)[O-])CCCCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002267914	1	53	0.0	-59.52	362.88	11.51	-48.01
CC(C(=O)NC1(C(=O)[O-])CCCCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002267914	1	53	0.0	-62.99	365.73	11.46	-51.53
O=C([O-])C1(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CCCCCC1	REAL300002267937	0	56	0.0	-75.23	398.34	12.09	-63.14
O=C([O-])C1(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CCCCCC1	REAL300002267937	1	56	0.0	-75.96	397.06	12.44	-63.52
C[NH+](C)CCN1C=CC(C(=O)NC2(C(=O)[O-])CCCCCC2)=N1	REAL300002267950	0	49	0.0	-93.37	356.26	8.77	-84.60
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C(=O)[O-])CCCCCC1	REAL300002267951	0	49	0.0	-58.10	350.48	8.57	-49.53
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300002267952	1	50	0.0	-64.85	357.57	10.35	-54.50
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCCCCC1	REAL300002267965	0	56	0.0	-65.75	390.22	12.51	-53.24
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCCCCC1	REAL300002267965	1	56	0.0	-62.97	380.50	12.07	-50.90
CC(C[NH+]1CCOCC1)C(=O)NC1(C(=O)[O-])CCCCCC1	REAL300002267969	1	50	0.0	-70.02	342.90	7.93	-62.09
O=C([O-])C1(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CCCCCC1	REAL300002267970	0	57	0.0	-71.61	401.66	9.95	-61.66
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300002268013	1	56	0.0	-79.92	389.86	10.75	-69.17
O=C([O-])C1(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)CCCCCC1	REAL300002268014	0	56	0.0	-69.41	371.77	10.93	-58.48
O=C([O-])C1(NC(=O)C2CC[N@H+](C3CCCCC3)C2)CCCCCC1	REAL300002268014	1	56	0.0	-69.66	381.29	10.79	-58.87
O=C([O-])C1(NC(=O)C2CCC3CCCC[N@@H+]32)CCCCCC1	REAL300002268030	0	50	0.0	-55.95	332.18	9.52	-46.43
O=C([O-])C1(NC(=O)C2CCC3CCCC[N@H+]32)CCCCCC1	REAL300002268030	1	50	0.0	-57.88	333.60	9.94	-47.94
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3(C(=O)[O-])CCCCCC3)=C2)CC1	REAL300002268044	0	58	0.0	-74.64	408.44	10.16	-64.48
C[NH+]1CCN(CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCCCC3)C=C2)CC1	REAL300002268045	0	58	0.0	-86.61	408.36	10.17	-76.44
CN1CC[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCCCC3)C=C2)CC1	REAL300002268045	1	58	0.0	-88.76	407.87	10.04	-78.72
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300002268046	0	59	0.0	-86.63	410.96	11.61	-75.02
CC(C)[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300002268053	0	52	0.0	-76.63	346.44	9.92	-66.71
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCCCCC1	REAL300002268142	0	60	0.0	-87.37	427.12	9.64	-77.73
C[NH+](C)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300002268146	0	49	0.0	-79.29	349.80	10.74	-68.55
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCCCCC1	REAL300002268147	0	56	0.0	-59.60	383.79	12.44	-47.16
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCCCCC1	REAL300002268147	1	56	0.0	-63.23	374.05	12.00	-51.23
C#CC[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300002268194	0	48	0.0	-78.53	336.82	9.89	-68.64
CC[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300002268197	0	54	0.0	-77.43	370.21	7.90	-69.53
CCN1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300002268197	1	54	0.0	-68.85	369.72	7.85	-61.00
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C(=O)[O-])CCCCCC1	REAL300002268204	1	50	0.0	-63.80	357.00	10.37	-53.43
CC(C(=O)NC1(C(=O)[O-])CCCCCC1)[NH+]1CCCCCC1	REAL300002268232	0	52	0.0	-56.52	337.87	9.53	-46.99
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCCCCC3)=CC=C1N2	REAL300002268263	1	54	0.0	-85.25	384.55	11.17	-74.08
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCCCCC3)=CC=C1N2	REAL300002268263	1	54	0.0	-84.68	384.73	11.13	-73.55
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCCCC2)O1	REAL300002268307	0	52	0.0	-81.82	371.77	10.45	-71.37
O=C(CCCC[NH+]1CCCC1)NC1(C(=O)[O-])CCCCCC1	REAL300002268308	0	52	0.0	-74.63	362.94	10.55	-64.08
CC1=CC=C(N2CCC(C(=O)NC3(C(=O)[O-])CCCCCC3)CC2)[NH+]=C1	REAL300002268310	1	55	0.0	-75.50	381.55	10.14	-65.36
C[N@H+](CC(=O)NC1(C(=O)[O-])CCCCCC1)CC1=CC=CC=C1	REAL300002268311	1	49	0.0	-65.33	348.27	10.73	-54.60
C[N@@H+](CC(=O)NC1(C(=O)[O-])CCCCCC1)CC1=CC=CC=C1	REAL300002268311	1	49	0.0	-64.84	348.31	10.73	-54.11
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3(C(=O)[O-])CCCCCC3)C=C2)CC1	REAL300002268315	0	61	0.0	-87.24	417.76	11.10	-76.14
O=C([O-])C1(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCCCCC1	REAL300002268327	1	44	0.0	-80.78	330.90	8.72	-72.06
C[NH+](C)CC1=CC(C(=O)NC2(C(=O)[O-])CCCCCC2)=NO1	REAL300002268349	1	45	0.0	-82.15	330.70	8.29	-73.86
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCCCCC1	REAL300002268354	0	56	0.0	-72.30	397.08	12.30	-60.00
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCCCCC1	REAL300002268354	1	56	0.0	-73.18	395.97	12.29	-60.89
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300002268377	0	57	0.0	-87.90	414.10	11.72	-76.18
C[NH+]1CCC(OCC(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300002268389	0	50	0.0	-82.61	351.56	8.94	-73.67
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCCCCC1	REAL300002268395	0	53	0.0	-82.89	376.66	10.85	-72.04
CCC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300002268533	0	52	0.0	-66.66	359.49	10.01	-56.65
CCC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300002268533	1	52	0.0	-67.64	351.26	10.10	-57.54
O=C([O-])C1(NC(=O)C[NH+]2CCC(CO)CC2)CCCCCC1	REAL300002268562	1	50	0.0	-62.00	345.02	6.31	-55.69
CC(C)[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300002268732	0	52	0.0	-60.40	331.87	9.61	-50.79
CC(C)[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300002268732	1	52	0.0	-54.13	341.47	10.06	-44.07
C[N@@H+]1CC(C(=O)NC2(C(=O)[O-])CCCCCC2)C(C(F)(F)F)C1	REAL300002268733	0	46	0.0	-90.58	310.48	9.10	-81.48
C[N@H+]1CC(C(=O)NC2(C(=O)[O-])CCCCCC2)C(C(F)(F)F)C1	REAL300002268733	1	46	0.0	-70.09	319.17	8.46	-61.63
CC1=C(C)[NH+]=C(CCC(=O)NC2(C(=O)[O-])CCCCCC2)N1	REAL300002268756	1	47	0.0	-64.25	341.82	8.50	-55.75
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCCCC2)=C1	REAL300002269138	0	52	0.0	-81.84	372.25	11.57	-70.27
C[NH+](C)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCCCCC2)C=C1	REAL300002269145	0	53	0.0	-88.86	379.58	10.51	-78.35
O=C([O-])C1(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CCCCCC1	REAL300002269228	0	59	0.0	-73.05	411.32	13.08	-59.97
CC1C[N@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCCCC3)C=C2)CCO1	REAL300002269230	1	57	0.0	-90.50	403.83	10.95	-79.55
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCCCC3)C=C2)CCO1	REAL300002269230	1	57	0.0	-90.42	403.84	10.95	-79.47
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C(=O)[O-])CCCCCC2)CC1	REAL300002269256	0	52	0.0	-54.83	340.59	9.72	-45.11
CC1=[NH+]C=C2C=CC(C(=O)NC3(C(=O)[O-])CCCCCC3)=CN21	REAL300002269261	0	44	0.0	-69.70	323.20	10.54	-59.16
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300002269309	0	55	0.0	-68.05	372.77	10.94	-57.11
CC(C)C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCCCC2)C1	REAL300002269309	1	55	0.0	-60.63	364.62	10.59	-50.04
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCCCC2)O1	REAL300002269315	1	46	0.0	-85.57	336.13	9.07	-76.50
O=C([O-])C1(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CCCCCC1	REAL300002269323	1	48	0.0	-65.92	335.89	9.54	-56.38
O=C([O-])C1(NC(=O)C23CC(C2)C[N@H+]3C2CC2)CCCCCC1	REAL300002269323	1	48	0.0	-58.31	321.04	9.32	-48.99
C=CCN(CC(=O)[O-])C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002270199	0	47	0.0	-57.44	366.87	11.00	-46.44
C=CCN(CC(=O)[O-])C(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1	REAL300002271248	1	46	0.0	-77.03	371.38	8.70	-68.33
C=CCN(CC(=O)[O-])C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002271282	0	50	0.0	-66.81	401.49	10.74	-56.07
C=CCN(CC(=O)[O-])C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300002271287	0	50	0.0	-71.86	395.91	12.56	-59.30
C=CCN(CC(=O)[O-])C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300002271287	1	50	0.0	-71.57	395.82	12.57	-59.00
C=CCN(CC(=O)[O-])C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002271371	0	40	0.0	-75.85	330.61	8.09	-67.76
C=CCN(CC(=O)[O-])C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002271388	0	48	0.0	-60.10	348.53	7.85	-52.25
C=CCN(CC(=O)[O-])C(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1	REAL300002271400	0	49	0.0	-75.70	361.28	10.21	-65.49
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CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC(C(=O)[O-])=CS1	REAL300002280785	1	38	0.0	-70.72	325.90	7.74	-62.98
C[NH+](C)CC1=C(C(=O)NC2=CC(C(=O)[O-])=CS2)OC2=CC=CC=C21	REAL300002280786	0	40	0.0	-72.16	345.77	8.44	-63.72
O=C([O-])C1=CSC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=C1	REAL300002280790	0	41	0.0	-74.36	317.20	7.80	-66.56
O=C([O-])C1=CSC(NC(=O)C2CCC[N@H+]2C2CCCC2)=C1	REAL300002280790	1	41	0.0	-72.49	326.40	7.96	-64.53
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC(C(=O)[O-])=CS3)=CC=C1N2	REAL300002280842	1	42	0.0	-82.65	353.63	8.47	-74.18
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC(C(=O)[O-])=CS3)=CC=C1N2	REAL300002280842	1	42	0.0	-82.63	353.62	8.48	-74.15
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CS2)O1	REAL300002280894	0	40	0.0	-76.57	340.66	7.78	-68.79
CC1=CC=C(N2CCC(C(=O)NC3=CC(C(=O)[O-])=CS3)CC2)[NH+]=C1	REAL300002280895	1	43	0.0	-73.68	354.52	7.66	-66.02
C[N@H+](CC(=O)NC1=CC(C(=O)[O-])=CS1)CC1=CC=CC=C1	REAL300002280896	1	37	0.0	-81.41	317.14	8.17	-73.24
C[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CS1)CC1=CC=CC=C1	REAL300002280896	1	37	0.0	-81.41	317.19	8.17	-73.24
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=CC(C(=O)[O-])=CS3)C=C2)CC1	REAL300002280899	0	49	0.0	-80.14	386.64	8.44	-71.70
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(C(=O)[O-])=CS1	REAL300002280944	0	44	0.0	-81.38	361.96	9.56	-71.82
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(C(=O)[O-])=CS1	REAL300002280944	1	44	0.0	-83.00	364.82	9.67	-73.33
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC(C(=O)[O-])=CS2)C=C1	REAL300002280962	0	45	0.0	-80.89	382.94	9.06	-71.83
O=C([O-])C1=CSC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=C1	REAL300002280980	0	41	0.0	-78.79	346.60	8.28	-70.51
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC(C(=O)[O-])=CS2)[C@@H](C(F)(F)F)C1	REAL300002281011	0	43	0.0	-78.07	354.44	7.79	-70.28
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC(C(=O)[O-])=CS2)[C@@H](C(F)(F)F)C1	REAL300002281011	1	43	0.0	-74.06	353.11	7.86	-66.20
O=C([O-])C1=CSC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=C1	REAL300002281250	0	45	0.0	-80.62	369.17	10.05	-70.57
O=C([O-])C1=CSC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=C1	REAL300002281250	1	45	0.0	-81.81	371.37	10.02	-71.79
C[N@@H+]1CC(C(=O)NC2=CC(C(=O)[O-])=CS2)C(C(F)(F)F)C1	REAL300002281365	0	34	0.0	-79.85	303.68	6.40	-73.45
C[N@H+]1CC(C(=O)NC2=CC(C(=O)[O-])=CS2)C(C(F)(F)F)C1	REAL300002281365	1	34	0.0	-85.19	296.81	6.32	-78.87
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC(C(=O)[O-])=CS2)=C1	REAL300002281797	0	40	0.0	-79.89	341.11	8.91	-70.98
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CS2)C=C1	REAL300002281803	0	41	0.0	-80.64	348.41	7.87	-72.77
O=C([O-])C1=CSC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300002281882	0	47	0.0	-79.82	380.19	10.52	-69.30
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC(C(=O)[O-])=CS3)C=C2)CCO1	REAL300002281884	1	45	0.0	-84.15	365.97	8.25	-75.90
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC(C(=O)[O-])=CS3)C=C2)CCO1	REAL300002281884	1	45	0.0	-84.27	366.03	8.25	-76.02
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CS2)C1	REAL300002281970	0	43	0.0	-72.13	335.41	8.49	-63.64
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CS2)C1	REAL300002281970	1	43	0.0	-72.13	335.41	8.49	-63.64
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C(=O)[O-])=CS2)C1	REAL300002281978	0	43	0.0	-79.31	330.49	7.71	-71.60
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C(=O)[O-])=CS2)C1	REAL300002281978	1	43	0.0	-79.31	330.49	7.71	-71.60
CC(CC1=CC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=C1)C(=O)[O-]	REAL300002283170	0	56	0.0	-84.50	429.96	12.75	-71.75
CC(CC1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002283849	0	53	0.0	-73.13	407.73	11.69	-61.44
CC(CC1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002283849	1	53	0.0	-73.63	411.81	12.08	-61.55
CC(CC1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C1)C(=O)[O-]	REAL300002284778	0	50	0.0	-77.92	378.58	10.38	-67.54
CC(CC1=CC=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=C1)C(=O)[O-]	REAL300002284807	0	47	0.0	-70.67	366.62	10.05	-60.62
CC(CC1=CC=C(NC(=O)C2CCC[N@H+]2C2CC2)C=C1)C(=O)[O-]	REAL300002284807	1	47	0.0	-74.44	359.95	9.39	-65.05
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(CC(C)C(=O)[O-])C=C3)CN21	REAL300002284813	1	48	0.0	-70.50	378.07	10.30	-60.20
CC(CC1=CC=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002284814	0	56	0.0	-72.26	431.69	12.63	-59.63
CC(CC1=CC=C(NC(=O)C2CCCC[N@@H+]2C)C=C1)C(=O)[O-]	REAL300002284896	1	46	0.0	-73.27	341.78	8.93	-64.34
CC(CC1=CC=C(NC(=O)C2CCCC[N@H+]2C)C=C1)C(=O)[O-]	REAL300002284896	1	46	0.0	-73.84	342.00	8.96	-64.88
CC(CC1=CC=C(NC(=O)C(C)N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002284897	1	51	0.0	-75.03	382.70	7.34	-67.69
CC(CC1=CC=C(NC(=O)[C@@H]2CCCC[N@@H+]2C)C=C1)C(=O)[O-]	REAL300002284941	1	46	0.0	-72.95	340.91	8.92	-64.03
CC(CC1=CC=C(NC(=O)[C@@H]2CCCC[N@H+]2C)C=C1)C(=O)[O-]	REAL300002284941	1	46	0.0	-70.78	350.15	9.13	-61.65
CC(CC1=CC=C(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C=C1)C(=O)[O-]	REAL300002284988	0	59	0.0	-80.02	463.96	12.30	-67.72
CC(CC1=CC=C(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C=C1)C(=O)[O-]	REAL300002285000	0	59	0.0	-75.82	443.65	13.19	-62.63
CC(CC1=CC=C(NC(=O)C2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002285034	0	46	0.0	-80.57	353.75	9.18	-71.39
CC(CC1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1)C(=O)[O-]	REAL300002285060	0	41	0.0	-76.76	340.06	11.07	-65.69
CC(CC1=CC=C(NC(=O)C2(C[NH+](C)C)CCCCC2)C=C1)C(=O)[O-]	REAL300002285094	0	55	0.0	-77.80	392.25	11.11	-66.69
CC(CC1=CC=C(NC(=O)CC[N@H+](C)C2CCCCC2)C=C1)C(=O)[O-]	REAL300002285099	0	55	0.0	-78.54	407.75	11.11	-67.43
CC(CC1=CC=C(NC(=O)CC[N@@H+](C)C2CCCCC2)C=C1)C(=O)[O-]	REAL300002285099	1	55	0.0	-78.36	407.76	11.12	-67.24
CC(CC1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300002285117	1	56	0.0	-78.56	434.40	12.75	-65.81
CC(CC1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300002285117	1	56	0.0	-78.15	433.26	12.73	-65.42
CC(CC1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300002285118	1	53	0.0	-77.89	413.28	11.71	-66.18
CC(CC1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300002285118	1	53	0.0	-78.64	413.73	11.74	-66.90
CC(CC1=CC=C(NC(=O)C2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002285170	0	46	0.0	-80.57	353.75	9.18	-71.39
CC(CC1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C1)C(=O)[O-]	REAL300002285175	0	49	0.0	-78.40	399.57	10.18	-68.22
CC(CC1=CC=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1)C(=O)[O-]	REAL300002285199	0	56	0.0	-70.34	406.62	11.28	-59.06
CC(CC1=CC=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1)C(=O)[O-]	REAL300002285199	1	56	0.0	-70.00	406.46	11.37	-58.63
CC(CC1=CC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C1)C(=O)[O-]	REAL300002285200	0	57	0.0	-82.03	421.05	9.80	-72.23
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002285233	1	47	0.0	-73.68	380.86	10.46	-63.22
CC(CC1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300002285234	1	53	0.0	-79.97	407.33	9.12	-70.85
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1)C(C)C	REAL300002285237	0	58	0.0	-80.88	436.36	12.64	-68.24
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1)C(C)C	REAL300002285237	1	58	0.0	-80.76	428.00	12.22	-68.54
CC(CC1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300002285285	0	53	0.0	-78.53	414.73	12.00	-66.53
CC(CC1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300002285285	1	53	0.0	-77.71	413.32	11.94	-65.77
CC(CC1=CC=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C=C1)C(=O)[O-]	REAL300002285286	0	54	0.0	-85.34	409.50	11.18	-74.16
CC(CC1=CC=C(NC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002285314	1	58	0.0	-73.72	443.13	10.83	-62.89
CC(CC1=CC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C1)C(=O)[O-]	REAL300002285315	0	57	0.0	-78.78	402.29	9.19	-69.59
CCC(C(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1)[NH+](CC)CC	REAL300002285319	0	51	0.0	-69.39	369.95	9.66	-59.73
CC(CC1=CC=C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002285321	0	52	0.0	-77.25	405.05	11.54	-65.71
CC(CC1=CC=C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002285321	1	52	0.0	-77.58	403.99	11.51	-66.07
CC(CC1=CC=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300002285333	0	59	0.0	-72.65	445.66	13.74	-58.91
CC(CC1=CC=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300002285333	1	59	0.0	-72.31	446.68	13.79	-58.52
CC(CC1=CC=C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C=C1)C(=O)[O-]	REAL300002285356	0	48	0.0	-81.48	383.83	9.19	-72.29
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002285365	0	57	0.0	-77.06	426.88	11.46	-65.60
CC(CC1=CC=C(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C=C1)C(=O)[O-]	REAL300002285366	1	57	0.0	-76.10	437.48	9.47	-66.63
CC[N@H+](C)C(C(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002285367	1	52	0.0	-72.07	402.40	11.72	-60.35
CC[N@@H+](C)C(C(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002285367	1	52	0.0	-71.19	402.83	11.67	-59.52
CC(CC1=CC=C(NC(=O)C2C[N@H+](C)CCO2)C=C1)C(=O)[O-]	REAL300002285369	1	44	0.0	-86.06	347.05	7.89	-78.17
CC(CC1=CC=C(NC(=O)C2C[N@@H+](C)CCO2)C=C1)C(=O)[O-]	REAL300002285369	1	44	0.0	-85.28	345.30	7.88	-77.40
CC[NH+](CC)C(C(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002285372	0	55	0.0	-74.01	407.92	11.77	-62.24
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002285381	1	47	0.0	-71.25	375.80	10.28	-60.97
CC(CC1=CC=C(NC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C=C1)C(=O)[O-]	REAL300002285386	1	49	0.0	-76.50	400.50	11.54	-64.96
CC(CC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1)C(=O)[O-]	REAL300002285399	0	53	0.0	-83.62	413.11	12.18	-71.44
CC(CC1=CC=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=C1)C(=O)[O-]	REAL300002285407	0	56	0.0	-77.41	429.83	12.88	-64.53
CC(CC1=CC=C(NC(=O)C2(C[NH+](C)C)CC2)C=C1)C(=O)[O-]	REAL300002285414	0	46	0.0	-76.04	359.90	9.26	-66.78
CC(CC1=CC=C(NC(=O)CCCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002285424	0	48	0.0	-77.90	374.76	9.66	-68.24
CC(C)C(C(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1)[NH+](C)C	REAL300002285433	0	48	0.0	-74.75	361.97	9.14	-65.61
CC(CC1=CC=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1)C(=O)[O-]	REAL300002285435	1	57	0.0	-87.51	437.70	11.97	-75.54
CC(CC1=CC=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1)C(=O)[O-]	REAL300002285435	1	57	0.0	-87.32	436.70	11.94	-75.38
CC(CC1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002285447	0	56	0.0	-74.17	419.21	12.51	-61.66
CC(CC1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002285447	1	56	0.0	-73.44	426.88	12.67	-60.77
CC1=C(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002285449	1	47	0.0	-82.41	385.09	9.41	-73.00
CC(CC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1)C(=O)[O-]	REAL300002285457	0	56	0.0	-83.67	428.78	12.88	-70.79
CC(CC1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1)C(=O)[O-]	REAL300002285471	1	49	0.0	-79.88	392.77	9.62	-70.26
CC(CC1=CC=C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C=C1)C(=O)[O-]	REAL300002285472	0	52	0.0	-85.54	410.52	11.90	-73.64
CC(CC1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1)C(=O)[O-]	REAL300002285486	1	54	0.0	-84.32	416.04	11.29	-73.03
CC(CC1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1)C(=O)[O-]	REAL300002285486	1	54	0.0	-82.17	416.44	11.29	-70.88
CC(CC1=CC=C(NC(=O)C[N@H+](C)C2CCC2)C=C1)C(=O)[O-]	REAL300002285517	0	46	0.0	-73.86	355.59	9.51	-64.35
CC(CC1=CC=C(NC(=O)C[N@@H+](C)C2CCC2)C=C1)C(=O)[O-]	REAL300002285517	1	46	0.0	-73.91	355.16	9.52	-64.39
CC(CC1=CC=C(NC(=O)C[N@H+](C)CC(C)(C)C)C=C1)C(=O)[O-]	REAL300002285549	0	51	0.0	-75.44	379.29	10.10	-65.34
CC(CC1=CC=C(NC(=O)C[N@@H+](C)CC(C)(C)C)C=C1)C(=O)[O-]	REAL300002285549	1	51	0.0	-76.01	379.59	10.08	-65.93
CC(CC1=CC=C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002285551	0	52	0.0	-80.23	409.30	11.99	-68.24
CC(CC1=CC=C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002285551	1	52	0.0	-80.17	408.21	11.97	-68.20
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002285552	0	56	0.0	-77.93	437.50	8.13	-69.80
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002285552	1	56	0.0	-79.11	437.53	8.16	-70.95
CC(CC1=CC=C(NC(=O)CC2(O)CCC[N@H+](C)C2)C=C1)C(=O)[O-]	REAL300002285557	0	50	0.0	-71.07	380.27	7.83	-63.24
CC(CC1=CC=C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C=C1)C(=O)[O-]	REAL300002285557	1	50	0.0	-71.53	369.99	7.59	-63.94
CC(CC1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300002285578	1	55	0.0	-78.89	414.17	10.78	-68.11
CC(CC1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300002285578	1	55	0.0	-78.64	412.69	10.76	-67.88
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002285581	0	54	0.0	-77.62	412.80	11.29	-66.33
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002285581	1	54	0.0	-77.20	413.08	11.28	-65.92
CC(CC1=CC=C(NC(=O)C23CCC[NH+]2CCC3)C=C1)C(=O)[O-]	REAL300002285591	0	47	0.0	-75.61	353.53	9.46	-66.15
CC(CC1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C1)C(=O)[O-]	REAL300002285599	1	41	0.0	-81.44	339.51	11.05	-70.39
CC(CC1=CC=C(NC(=O)C[N@H+](C)C2CCSC2)C=C1)C(=O)[O-]	REAL300002285615	1	47	0.0	-82.02	368.70	9.74	-72.28
CC(CC1=CC=C(NC(=O)C[N@@H+](C)C2CCSC2)C=C1)C(=O)[O-]	REAL300002285615	1	47	0.0	-81.41	369.10	9.81	-71.60
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC1	REAL300002285632	0	57	0.0	-76.64	420.12	8.35	-68.29
CC(C)N1CC[NH+](CCC(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC1	REAL300002285632	1	57	0.0	-78.81	422.05	8.56	-70.25
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC1	REAL300002285633	0	60	0.0	-73.27	445.92	9.51	-63.76
CC(C)N1CC[NH+](CCCC(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC1	REAL300002285633	1	60	0.0	-77.86	442.23	9.30	-68.56
CC(CC1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C=C1)C(=O)[O-]	REAL300002285634	0	50	0.0	-67.61	372.61	10.35	-57.26
CC(CC1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C=C1)C(=O)[O-]	REAL300002285634	1	50	0.0	-71.27	365.41	10.07	-61.20
CC(CC1=CC=C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C=C1)C(=O)[O-]	REAL300002285636	0	49	0.0	-83.42	394.42	9.05	-74.37
CC(CC1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C1)C(=O)[O-]	REAL300002285645	0	58	0.0	-83.43	442.67	10.89	-72.54
CC(CC1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C=C1)C(=O)[O-]	REAL300002285648	0	55	0.0	-76.06	418.89	11.03	-65.03
CC(CC1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C=C1)C(=O)[O-]	REAL300002285648	1	55	0.0	-75.78	418.84	11.03	-64.75
CC(CC1=CC=C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C=C1)C(=O)[O-]	REAL300002285653	1	53	0.0	-75.72	407.64	11.91	-63.81
CC(CC1=CC=C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C=C1)C(=O)[O-]	REAL300002285653	1	53	0.0	-76.22	405.93	12.04	-64.18
CCCC(C(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1)[NH+](C)C	REAL300002285674	0	48	0.0	-74.05	363.57	9.79	-64.26
CC(CC1=CC=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300002285676	0	56	0.0	-81.74	434.87	12.71	-69.03
CC(CC1=CC=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300002285676	1	56	0.0	-81.36	434.42	12.77	-68.59
CC(CC1=CC=C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C=C1)C(=O)[O-]	REAL300002285691	0	49	0.0	-87.68	393.76	9.06	-78.62
CC(CC1=CC=C(NC(=O)C2=CC=NN2CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002285692	0	49	0.0	-69.46	389.88	9.03	-60.43
CC(CC1=CC=C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C=C1)C(=O)[O-]	REAL300002285698	0	46	0.0	-78.91	345.87	8.57	-70.34
CC(CC1=CC=C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C=C1)C(=O)[O-]	REAL300002285698	1	46	0.0	-77.40	351.86	8.83	-68.57
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002285700	1	50	0.0	-70.62	396.13	10.75	-59.87
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC[N@@H+]1C	REAL300002285703	0	49	0.0	-77.44	367.12	9.19	-68.25
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC[N@H+]1C	REAL300002285703	1	49	0.0	-77.36	372.20	9.59	-67.77
CC(CC1=CC=C(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C=C1)C(=O)[O-]	REAL300002285706	1	50	0.0	-80.71	395.29	8.60	-72.11
CC(CC1=CC=C(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C=C1)C(=O)[O-]	REAL300002285706	1	50	0.0	-81.35	394.01	8.60	-72.75
CC(CC1=CC=C(NC(=O)C2C[N@H+](C)CC(C)O2)C=C1)C(=O)[O-]	REAL300002285715	1	47	0.0	-86.40	359.26	8.19	-78.21
CC(CC1=CC=C(NC(=O)C2C[N@@H+](C)CC(C)O2)C=C1)C(=O)[O-]	REAL300002285715	1	47	0.0	-87.03	359.48	8.20	-78.83
CC(CC1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C=C1)C(=O)[O-]	REAL300002285721	0	56	0.0	-79.67	436.89	12.79	-66.88
CC(CC1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C=C1)C(=O)[O-]	REAL300002285721	1	56	0.0	-79.26	435.49	12.76	-66.50
CC(CC1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C=C1)C(=O)[O-]	REAL300002285722	1	52	0.0	-74.37	403.74	10.06	-64.31
CC(CC1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C=C1)C(=O)[O-]	REAL300002285722	1	52	0.0	-77.64	408.12	10.34	-67.30
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002285726	1	41	0.0	-72.03	338.77	9.14	-62.89
CC(CC1=CC=C(NC(=O)C(C)C[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300002285728	0	50	0.0	-78.38	380.98	8.27	-70.11
CC(CC1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C=C1)C(=O)[O-]	REAL300002285729	0	57	0.0	-82.87	439.64	10.28	-72.59
CC(CC1=CC=C(NC(=O)C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300002285741	0	49	0.0	-77.36	372.45	10.05	-67.31
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C1	REAL300002285755	1	47	0.0	-84.08	364.54	8.53	-75.55
CC[N@H+]1CCOC(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C1	REAL300002285755	1	47	0.0	-83.61	363.98	8.54	-75.07
CC(CC1=CC=C(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)C=C1)C(=O)[O-]	REAL300002285794	1	56	0.0	-83.76	431.94	11.11	-72.65
CC(CC1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C1)C(=O)[O-]	REAL300002285795	0	56	0.0	-75.61	414.59	11.46	-64.15
CC(CC1=CC=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C=C1)C(=O)[O-]	REAL300002285795	1	56	0.0	-77.71	416.55	11.46	-66.25
CC(CC1=CC=C(NC(=O)CCC2CCC[N@@H+]2C)C=C1)C(=O)[O-]	REAL300002285802	0	49	0.0	-74.11	370.41	9.54	-64.57
CC(CC1=CC=C(NC(=O)CCC2CCC[N@H+]2C)C=C1)C(=O)[O-]	REAL300002285802	1	49	0.0	-78.11	372.64	9.87	-68.24
CC(CC1=CC=C(NC(=O)C23CCC[NH+](CCC2)C3)C=C1)C(=O)[O-]	REAL300002285814	0	50	0.0	-75.82	366.79	9.70	-66.12
CC(CC1=CC=C(NC(=O)C2(C)CC(O)C[N@@H+]2C)C=C1)C(=O)[O-]	REAL300002285817	1	47	0.0	-81.91	355.72	5.85	-76.06
CC(CC1=CC=C(NC(=O)C2(C)CC(O)C[N@H+]2C)C=C1)C(=O)[O-]	REAL300002285817	1	47	0.0	-80.18	355.17	5.69	-74.49
CC(CC1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=C1)C(=O)[O-]	REAL300002285818	0	50	0.0	-70.39	376.93	10.52	-59.87
CC(CC1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C=C1)C(=O)[O-]	REAL300002285818	1	50	0.0	-71.08	368.95	10.01	-61.07
CC(CC1=CC=C(NC(=O)C(C)(C)C[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300002285825	0	53	0.0	-73.99	390.10	8.60	-65.39
CC(CC1=CC=C(NC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C=C1)C(=O)[O-]	REAL300002285830	0	56	0.0	-85.86	433.64	10.34	-75.52
CC(CC1=CC=C(NC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C=C1)C(=O)[O-]	REAL300002285830	1	56	0.0	-86.56	426.05	9.90	-76.66
CC(CC1=CC=C(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C=C1)C(=O)[O-]	REAL300002285834	0	58	0.0	-74.81	445.86	10.44	-64.37
CC(CC1=CC=C(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C=C1)C(=O)[O-]	REAL300002285835	0	58	0.0	-81.75	446.64	10.47	-71.28
CC(CC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C=C1)C(=O)[O-]	REAL300002285835	1	58	0.0	-83.63	446.15	10.35	-73.28
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C=C1	REAL300002285837	0	59	0.0	-80.45	452.19	12.15	-68.30
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC1	REAL300002285845	0	52	0.0	-77.30	384.11	10.13	-67.17
CC(CC1=CC=C(NC(=O)C23CC[NH+](CC2)C3)C=C1)C(=O)[O-]	REAL300002285926	0	44	0.0	-78.29	340.59	8.08	-70.21
CC(CC1=CC=C(NC(=O)C23CC[N@H+](C2)CCC3)C=C1)C(=O)[O-]	REAL300002285936	0	47	0.0	-77.29	352.47	8.78	-68.51
CC(CC1=CC=C(NC(=O)C23CC[N@@H+](C2)CCC3)C=C1)C(=O)[O-]	REAL300002285936	1	47	0.0	-84.03	350.70	8.88	-75.15
CC(CC1=CC=C(NC(=O)C[NH+]2C(C)CCC2C)C=C1)C(=O)[O-]	REAL300002285990	0	49	0.0	-71.60	365.96	9.40	-62.20
CC(CC1=CC=C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C=C1)C(=O)[O-]	REAL300002285991	0	49	0.0	-78.50	388.27	11.02	-67.48
CC(CC1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300002285992	0	56	0.0	-75.47	429.57	12.71	-62.76
CC(CC1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300002285992	1	56	0.0	-75.57	429.96	12.71	-62.86
CC(CC1=CC=C(NC(=O)C2([NH+](C)C)CCC2)C=C1)C(=O)[O-]	REAL300002286031	0	46	0.0	-78.98	343.55	9.44	-69.54
C#CC[NH+]1CCC(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC1	REAL300002286065	0	48	0.0	-80.94	378.12	10.33	-70.61
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002286067	0	52	0.0	-71.48	389.36	10.53	-60.95
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002286067	1	52	0.0	-73.13	381.82	10.35	-62.78
CC(CC1=CC=C(NC(=O)C2=CC=CC=C2C[NH+](C)C)C=C1)C(=O)[O-]	REAL300002286068	0	49	0.0	-64.06	379.94	11.25	-52.81
CC[NH+]1CCN(CCC(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC1	REAL300002286070	0	54	0.0	-77.86	407.33	8.07	-69.79
CCN1CC[NH+](CCC(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC1	REAL300002286070	1	54	0.0	-78.43	407.67	8.18	-70.25
CC(C)C(C(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1)[NH+]1CCCCC1	REAL300002286072	0	55	0.0	-70.58	395.44	11.51	-59.07
CC(CC1=CC=C(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)C=C1)C(=O)[O-]	REAL300002286073	1	49	0.0	-73.12	384.86	11.04	-62.08
CC(CC1=CC=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300002286077	0	54	0.0	-75.81	423.18	8.97	-66.84
CC(CC1=CC=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300002286077	1	54	0.0	-74.99	422.50	8.93	-66.06
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002286083	1	50	0.0	-70.38	394.51	10.69	-59.69
CC(CC1=CC=C(NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C=C1)C(=O)[O-]	REAL300002286084	0	52	0.0	-67.77	414.62	11.36	-56.41
CC(CC1=CC=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1)C(=O)[O-]	REAL300002286089	0	53	0.0	-75.08	386.37	10.66	-64.42
CC(CC1=CC=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1)C(=O)[O-]	REAL300002286089	1	53	0.0	-72.82	393.51	10.94	-61.88
CC[N@H+](CC(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1)C1CC1	REAL300002286091	0	46	0.0	-73.07	355.60	9.50	-63.57
CC[N@@H+](CC(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1)C1CC1	REAL300002286091	1	46	0.0	-71.51	353.86	9.32	-62.19
CC(CC1=CC=C(NC(=O)C(C)[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300002286122	0	52	0.0	-72.52	380.95	10.33	-62.19
CC(CC1=CC=C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C=C1)C(=O)[O-]	REAL300002286164	1	54	0.0	-81.99	422.83	11.50	-70.49
CC(CC1=CC=C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C=C1)C(=O)[O-]	REAL300002286164	1	54	0.0	-81.42	422.52	11.41	-70.01
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)O1	REAL300002286215	0	52	0.0	-79.90	409.50	10.71	-69.19
CC(CC1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002286216	0	52	0.0	-76.57	400.40	10.85	-65.72
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(CC(C)C(=O)[O-])C=C3)CC2)[NH+]=C1	REAL300002286218	1	55	0.0	-74.62	422.91	10.59	-64.03
CC(CC1=CC=C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002286219	1	49	0.0	-80.58	386.02	11.11	-69.47
CC(CC1=CC=C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002286219	1	49	0.0	-81.16	385.73	11.13	-70.03
CC(C)[C@@H](C(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1)[NH+](C)C	REAL300002286230	0	48	0.0	-73.81	358.14	9.57	-64.24
CC(CC1=CC=C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C=C1)C(=O)[O-]	REAL300002286277	1	45	0.0	-82.41	368.30	8.52	-73.89
CC(CC1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C=C1)C(=O)[O-]	REAL300002286281	0	56	0.0	-79.57	430.80	12.50	-67.07
CC(CC1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C=C1)C(=O)[O-]	REAL300002286281	1	56	0.0	-79.98	432.25	12.58	-67.40
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002286297	0	49	0.0	-69.99	366.82	9.52	-60.47
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002286297	1	49	0.0	-72.96	361.88	9.53	-63.43
CC(CC1=CC=C(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C=C1)C(=O)[O-]	REAL300002286305	0	57	0.0	-82.57	451.54	11.99	-70.58
CC(CC1=CC=C(NC(=O)COC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002286324	0	50	0.0	-82.41	389.84	9.56	-72.85
CC(CC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1)C(=O)[O-]	REAL300002286329	0	53	0.0	-81.80	415.21	11.22	-70.58
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C1	REAL300002286528	0	52	0.0	-74.31	391.74	10.53	-63.78
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C1	REAL300002286528	1	52	0.0	-69.41	386.63	10.72	-58.69
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002286560	0	52	0.0	-72.07	394.02	10.69	-61.38
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(CC(C)C(=O)[O-])C=C1	REAL300002286560	1	52	0.0	-72.61	387.21	10.20	-62.41
CC(CC1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002286561	1	50	0.0	-80.10	383.86	6.72	-73.38
CC(CC1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C1)C(=O)[O-]	REAL300002286668	0	57	0.0	-81.52	438.75	13.04	-68.48
CC(CC1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C1)C(=O)[O-]	REAL300002286668	1	57	0.0	-84.02	440.18	12.99	-71.03
CC(CC1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300002286713	1	56	0.0	-79.22	424.81	12.58	-66.64
CC(CC1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C=C1)C(=O)[O-]	REAL300002286713	1	56	0.0	-75.94	424.96	12.58	-63.36
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C1	REAL300002286804	0	52	0.0	-72.60	386.90	10.31	-62.29
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C1	REAL300002286804	1	52	0.0	-68.35	380.90	10.48	-57.87
CC(CC1=CC=C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C=C1)C(=O)[O-]	REAL300002286805	0	46	0.0	-83.77	367.26	9.09	-74.68
CC(CC1=CC=C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C=C1)C(=O)[O-]	REAL300002286805	1	46	0.0	-85.84	373.86	9.30	-76.54
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)N1	REAL300002286830	1	47	0.0	-71.30	379.31	8.82	-62.48
CC(CC1=CC=C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C=C1)C(=O)[O-]	REAL300002287341	0	52	0.0	-79.24	410.77	11.85	-67.39
CC(CC1=CC=C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C=C1)C(=O)[O-]	REAL300002287349	0	53	0.0	-82.06	417.80	10.84	-71.22
CC(CC1=CC=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1)C(=O)[O-]	REAL300002287447	0	59	0.0	-77.09	449.08	13.46	-63.63
CC(CC1=CC=C(NC(=O)C2=CC=C(CN3CCOC(C)C3)C=C2)C=C1)C(=O)[O-]	REAL300002287449	0	57	0.0	-85.63	434.88	11.18	-74.45
CC(CC1=CC=C(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C=C1)C(=O)[O-]	REAL300002287449	1	57	0.0	-85.93	434.59	11.19	-74.74
CC(CC1=CC=C(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C=C1)C(=O)[O-]	REAL300002287449	1	57	0.0	-85.93	434.59	11.19	-74.74
CC(CC1=CC=C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C=C1)C(=O)[O-]	REAL300002287494	0	46	0.0	-76.78	358.98	9.25	-67.53
CC(CC1=CC=C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C=C1)C(=O)[O-]	REAL300002287498	0	52	0.0	-70.63	380.55	10.18	-60.45
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(CC(C)C(=O)[O-])C=C3)=CN21	REAL300002287502	0	44	0.0	-73.12	361.47	10.84	-62.28
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C1	REAL300002287567	0	55	0.0	-69.45	404.21	11.43	-58.02
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C1	REAL300002287567	1	55	0.0	-69.68	403.19	11.39	-58.29
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C1	REAL300002287568	0	49	0.0	-68.56	365.29	10.01	-58.55
CC[N@H+]1CCCC(C(=O)NC2=CC=C(CC(C)C(=O)[O-])C=C2)C1	REAL300002287568	1	49	0.0	-68.35	365.27	10.02	-58.33
CC(CC1=CC=C(NC(=O)C2CCC[N@H+](C)C2)C=C1)C(=O)[O-]	REAL300002287572	0	46	0.0	-69.24	347.45	9.32	-59.92
CC(CC1=CC=C(NC(=O)C2CCC[N@@H+](C)C2)C=C1)C(=O)[O-]	REAL300002287572	1	46	0.0	-76.45	354.26	9.15	-67.30
CC(CC1=CC=C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C=C1)C(=O)[O-]	REAL300002287574	1	46	0.0	-82.63	372.87	9.23	-73.40
CC(CC1=CC=C(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)C=C1)C(=O)[O-]	REAL300002287580	0	55	0.0	-77.70	399.11	10.65	-67.05
CC(CC1=CC=C(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C=C1)C(=O)[O-]	REAL300002287580	1	55	0.0	-78.32	392.57	10.22	-68.10
CC(CC1=CC=C(NC(=O)C23CC(C2)CN3C2CC2)C=C1)C(=O)[O-]	REAL300002287583	0	48	0.0	-74.88	373.03	10.12	-64.76
CC(CC1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1)C(=O)[O-]	REAL300002287583	1	48	0.0	-74.14	367.16	10.25	-63.89
CC(CC1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1)C(=O)[O-]	REAL300002287583	1	48	0.0	-74.88	373.03	10.12	-64.76
O=C([O-])C1(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCOCC1	REAL300002288895	0	54	0.0	-64.29	396.96	8.91	-55.38
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CCOCC1	REAL300002289640	0	51	0.0	-50.25	380.24	8.19	-42.06
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CCOCC1	REAL300002289640	1	51	0.0	-49.51	379.79	8.33	-41.18
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CCOCC1	REAL300002290488	1	51	0.0	-52.39	400.56	8.69	-43.70
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CCOCC1	REAL300002290488	1	51	0.0	-52.07	396.52	8.85	-43.22
O=C([O-])C1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCOCC1	REAL300002290564	0	48	0.0	-56.13	347.93	6.33	-49.80
CC1=[NH+]C=C2CCC(C(=O)NCC3(C(=O)[O-])CCOCC3)CN21	REAL300002290597	1	46	0.0	-53.48	343.53	6.41	-47.07
O=C([O-])C1(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CCOCC1	REAL300002290598	0	54	0.0	-55.49	393.91	8.16	-47.33
CC1=NC(C[NH+]2CCC(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)=CS1	REAL300002290672	1	53	0.0	-62.50	404.01	6.62	-55.88
CC(C(=O)NCC1(C(=O)[O-])CCOCC1)N1CC[NH+](C)CC1	REAL300002290673	1	49	0.0	-63.48	348.16	3.21	-60.27
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300002290758	0	57	0.0	-69.05	431.59	8.40	-60.65
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300002290770	0	57	0.0	-71.83	430.76	10.76	-61.07
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300002290770	1	57	0.0	-72.18	430.70	10.75	-61.43
CC1(C(=O)NCC2(C(=O)[O-])CCOCC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002290772	0	57	0.0	-62.57	410.97	9.23	-53.34
O=C([O-])C1(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)CCOCC1	REAL300002290831	0	39	0.0	-62.56	307.39	6.90	-55.66
C[NH+](C)CC1(C(=O)NCC2(C(=O)[O-])CCOCC2)CCCCC1	REAL300002290861	0	53	0.0	-61.24	363.29	7.04	-54.20
C[N@H+](CCC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCCCC1	REAL300002290865	0	53	0.0	-56.31	376.94	7.05	-49.26
C[N@@H+](CCC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCCCC1	REAL300002290865	1	53	0.0	-55.81	376.92	7.05	-48.76
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CCOCC1	REAL300002290887	1	54	0.0	-56.86	393.19	8.70	-48.16
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CCOCC1	REAL300002290887	1	54	0.0	-52.23	393.15	8.69	-43.54
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CCOCC1	REAL300002290888	1	51	0.0	-53.07	390.24	8.23	-44.84
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CCOCC1	REAL300002290888	1	51	0.0	-52.91	386.20	8.40	-44.51
O=C([O-])C1(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCOCC1	REAL300002290944	0	47	0.0	-66.33	366.76	6.27	-60.06
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)CCOCC1	REAL300002290972	0	54	0.0	-48.30	374.50	7.41	-40.89
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2C2CCCC2)CCOCC1	REAL300002290972	1	54	0.0	-49.84	370.18	7.58	-42.26
O=C([O-])C1(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)CCOCC1	REAL300002290973	0	55	0.0	-62.53	381.09	5.81	-56.72
CC1=[NH+]C=CN1CCCC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291005	1	45	0.0	-56.27	349.49	6.37	-49.90
O=C(CCCC[NH+]1CCOCC1)NCC1(C(=O)[O-])CCOCC1	REAL300002291006	1	51	0.0	-65.98	375.79	5.24	-60.74
CC[N@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOCC2)C=C1)C(C)C	REAL300002291008	0	56	0.0	-68.19	396.17	8.38	-59.81
CC[N@@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOCC2)C=C1)C(C)C	REAL300002291008	1	56	0.0	-64.61	396.02	8.14	-56.47
O=C([O-])C1(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300002291032	0	51	0.0	-57.74	380.52	8.17	-49.57
O=C([O-])C1(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300002291032	1	51	0.0	-57.15	384.90	7.96	-49.19
O=C([O-])C1(CNC(=O)C2CC[NH+](C3CCSC3)CC2)CCOCC1	REAL300002291033	0	52	0.0	-63.13	382.29	7.35	-55.78
C[NH+]1CCN(C(C(=O)NCC2(C(=O)[O-])CCOCC2)C2=CC=CC=C2)CC1	REAL300002291061	1	56	0.0	-65.04	413.77	6.55	-58.49
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC1(C(=O)[O-])CCOCC1	REAL300002291062	0	55	0.0	-56.90	375.25	5.32	-51.58
CCC(C(=O)NCC1(C(=O)[O-])CCOCC1)[NH+](CC)CC	REAL300002291066	0	49	0.0	-47.77	343.69	5.94	-41.83
CC(C(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+](C)CC1=CC=CC=C1	REAL300002291068	0	50	0.0	-48.67	373.47	7.47	-41.20
CC(C(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300002291068	1	50	0.0	-53.66	370.86	7.64	-46.02
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCOCC1	REAL300002291079	0	57	0.0	-57.54	414.92	9.89	-47.65
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCOCC1	REAL300002291079	1	57	0.0	-62.07	421.15	9.71	-52.36
C[NH+](C)CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOCC2)C=N1	REAL300002291107	0	46	0.0	-67.71	351.45	5.68	-62.03
CCC[NH+](CCC)CCCC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291118	0	55	0.0	-59.01	401.08	7.67	-51.34
O=C([O-])C1(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CCOCC1	REAL300002291119	1	55	0.0	-52.84	405.43	5.59	-47.25
CC[N@H+](C)C(C(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1	REAL300002291120	0	50	0.0	-47.23	363.26	7.61	-39.62
CC[N@@H+](C)C(C(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1	REAL300002291120	1	50	0.0	-46.57	370.74	7.74	-38.83
CC[NH+](CC)C(C(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1	REAL300002291125	0	53	0.0	-53.01	377.73	7.82	-45.19
CC(C)C1=[NH+]C=CN1CC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291132	1	45	0.0	-51.04	343.17	6.37	-44.67
C[NH+](C)C(C(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=C(Cl)C=C1	REAL300002291134	1	47	0.0	-54.04	369.90	7.48	-46.56
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCOCC1	REAL300002291148	0	51	0.0	-67.62	381.47	8.11	-59.51
O=C([O-])C1(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCOCC1	REAL300002291155	0	54	0.0	-67.43	395.62	9.01	-58.42
CCN1CCC([NH+]2CCC(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)CC1	REAL300002291162	0	62	0.0	-62.25	426.77	6.40	-55.85
CC1C[NH+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCOCC3)C=C2)CC(C)O1	REAL300002291169	1	58	0.0	-72.43	430.55	8.02	-64.41
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NCC1(C(=O)[O-])CCOCC1	REAL300002291180	1	55	0.0	-69.33	411.79	8.19	-61.14
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NCC1(C(=O)[O-])CCOCC1	REAL300002291180	1	55	0.0	-66.63	411.86	8.16	-58.47
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CCOCC1	REAL300002291196	0	54	0.0	-52.77	386.78	8.62	-44.15
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CCOCC1	REAL300002291196	1	54	0.0	-51.89	396.14	8.79	-43.10
CC1=C(C(=O)NCC2(C(=O)[O-])CCOCC2)C=NN1C1=CC=[NH+]C=C1	REAL300002291198	1	45	0.0	-72.62	352.98	5.30	-67.32
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCOCC1	REAL300002291206	0	54	0.0	-69.94	397.23	9.00	-60.94
O=C([O-])C1(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCOCC1	REAL300002291218	1	47	0.0	-71.65	360.94	5.73	-65.92
C[NH+](C)CCC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300002291219	0	50	0.0	-73.48	378.16	7.99	-65.49
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291230	1	43	0.0	-50.12	326.83	4.72	-45.40
O=C([O-])C1(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCOCC1	REAL300002291231	1	52	0.0	-63.06	390.02	7.71	-55.35
O=C([O-])C1(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCOCC1	REAL300002291231	1	52	0.0	-47.20	385.59	7.35	-39.85
CC(C(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002291245	0	60	0.0	-54.31	435.79	10.11	-44.20
CC(C(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCSCC1	REAL300002291286	1	45	0.0	-49.59	337.69	5.47	-44.12
C[N@H+](CC(=O)NCC1(C(=O)[O-])CCOCC1)CC(C)(C)C	REAL300002291292	0	49	0.0	-51.97	347.15	6.12	-45.85
C[N@@H+](CC(=O)NCC1(C(=O)[O-])CCOCC1)CC(C)(C)C	REAL300002291292	1	49	0.0	-50.81	345.68	6.23	-44.58
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291294	0	50	0.0	-56.78	376.66	8.09	-48.69
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291294	1	50	0.0	-56.63	376.66	8.08	-48.55
COCCOCC[N@H+](C)CCC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291295	0	54	0.0	-59.57	405.69	4.25	-55.32
COCCOCC[N@@H+](C)CCC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291295	1	54	0.0	-57.36	406.70	4.10	-53.26
C[N@@H+]1CCCC(O)(CC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300002291299	0	48	0.0	-59.55	344.97	4.10	-55.45
C[N@H+]1CCCC(O)(CC(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300002291299	1	48	0.0	-53.93	347.83	3.99	-49.94
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1(C(=O)[O-])CCOCC1	REAL300002291309	0	59	0.0	-65.76	431.82	7.78	-57.98
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CCOCC1	REAL300002291310	1	53	0.0	-49.98	391.25	7.04	-42.94
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CCOCC1	REAL300002291310	1	53	0.0	-52.58	381.74	6.89	-45.69
CCCCCC[N@H+](C)CC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291313	0	52	0.0	-54.21	381.25	7.39	-46.82
CCCCCC[N@@H+](C)CC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291313	1	52	0.0	-54.26	381.25	7.40	-46.86
O=C([O-])C1(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)CCOCC1	REAL300002291325	1	39	0.0	-65.45	307.66	6.91	-58.54
C[N@H+](CC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCSC1	REAL300002291343	0	45	0.0	-54.26	337.87	5.71	-48.55
C[N@@H+](CC(=O)NCC1(C(=O)[O-])CCOCC1)C1CCSC1	REAL300002291343	1	45	0.0	-55.69	337.86	5.69	-50.00
CC(C)[NH+]1CCN(CCC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300002291359	0	55	0.0	-61.48	391.25	4.85	-56.63
CC(C)N1CC[NH+](CCC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300002291359	1	55	0.0	-58.12	389.19	4.61	-53.51
CC(C)[NH+]1CCN(CCCC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300002291360	0	58	0.0	-63.35	414.37	5.62	-57.73
CC(C)N1CC[NH+](CCCC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300002291360	1	58	0.0	-61.64	410.69	5.41	-56.23
O=C([O-])C1(CNC(=O)C2CCCC3CCC[N@@H+]32)CCOCC1	REAL300002291361	0	48	0.0	-47.22	340.33	6.52	-40.70
O=C([O-])C1(CNC(=O)C2CCCC3CCC[N@H+]32)CCOCC1	REAL300002291361	1	48	0.0	-51.03	334.22	6.21	-44.82
C[NH+](C)CCN1C=C(C(=O)NCC2(C(=O)[O-])CCOCC2)C=N1	REAL300002291363	0	47	0.0	-70.45	362.83	4.97	-65.48
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC3(C(=O)[O-])CCOCC3)CC2)=C1	REAL300002291370	0	59	0.0	-62.16	431.73	7.66	-54.50
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NCC1(C(=O)[O-])CCOCC1	REAL300002291372	0	56	0.0	-62.09	410.32	6.99	-55.10
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCOCC1	REAL300002291375	0	53	0.0	-59.36	392.79	7.01	-52.35
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCOCC1	REAL300002291375	1	53	0.0	-59.34	387.23	7.17	-52.17
CC(C(=O)NCC1(C(=O)[O-])CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002291380	1	51	0.0	-51.77	370.94	8.24	-43.53
CC(C(=O)NCC1(C(=O)[O-])CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002291380	1	51	0.0	-50.13	375.89	8.01	-42.12
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NCC1(C(=O)[O-])CCOCC1	REAL300002291408	0	54	0.0	-64.43	402.68	8.85	-55.58
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NCC1(C(=O)[O-])CCOCC1	REAL300002291408	1	54	0.0	-64.32	403.10	8.86	-55.46
C[NH+](C)CCN1C=CC(C(=O)NCC2(C(=O)[O-])CCOCC2)=N1	REAL300002291423	0	47	0.0	-71.99	362.21	5.15	-66.84
C[NH+](C)CCN1N=CC=C1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291424	0	47	0.0	-58.03	357.28	5.11	-52.92
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291430	1	48	0.0	-52.07	364.47	6.67	-45.40
CC1C[N@H+](C)CC(C(=O)NCC2(C(=O)[O-])CCOCC2)O1	REAL300002291441	1	45	0.0	-59.01	328.87	4.40	-54.61
CC1C[N@@H+](C)CC(C(=O)NCC2(C(=O)[O-])CCOCC2)O1	REAL300002291441	1	45	0.0	-58.50	336.13	4.82	-53.68
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCOCC1	REAL300002291447	0	54	0.0	-63.20	405.09	8.91	-54.29
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCOCC1	REAL300002291447	1	54	0.0	-54.60	397.95	9.05	-45.55
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CCOCC1	REAL300002291448	1	50	0.0	-52.07	372.06	6.18	-45.89
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CCOCC1	REAL300002291448	1	50	0.0	-49.89	371.03	5.93	-43.96
CC(C[NH+]1CCOCC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291453	0	48	0.0	-57.86	349.87	4.22	-53.64
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)NCC1(C(=O)[O-])CCOCC1	REAL300002291454	0	55	0.0	-61.22	408.08	6.41	-54.81
CC[N@@H+]1CCOC(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300002291476	1	45	0.0	-55.99	332.72	4.74	-51.25
CC[N@H+]1CCOC(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300002291476	1	45	0.0	-55.30	335.04	4.56	-50.74
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300002291509	1	54	0.0	-67.21	397.69	7.24	-59.97
O=C([O-])C1(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)CCOCC1	REAL300002291510	0	54	0.0	-54.54	383.06	7.59	-46.95
O=C([O-])C1(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)CCOCC1	REAL300002291510	1	54	0.0	-57.87	383.06	7.57	-50.30
O=C([O-])C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCOCC1	REAL300002291529	0	48	0.0	-63.84	334.92	5.83	-58.01
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291533	0	45	0.0	-57.19	328.25	1.55	-55.64
C[N@H+]1CC(O)CC1(C)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291533	1	45	0.0	-52.03	323.67	1.58	-50.45
O=C([O-])C1(CNC(=O)C2CCC3CCCC[N@@H+]32)CCOCC1	REAL300002291534	0	48	0.0	-46.27	346.44	6.44	-39.83
O=C([O-])C1(CNC(=O)C2CCC3CCCC[N@H+]32)CCOCC1	REAL300002291534	1	48	0.0	-49.21	344.80	6.53	-42.68
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291542	0	51	0.0	-51.68	359.33	4.55	-47.13
CC(C)[N@@H+]1CCC(C(=O)NCC2(C(=O)[O-])CCOCC2)C(C2=CN(C)N=C2)C1	REAL300002291547	0	60	0.0	-52.77	421.22	6.71	-46.06
CC(C)[N@H+]1CCC(C(=O)NCC2(C(=O)[O-])CCOCC2)C(C2=CN(C)N=C2)C1	REAL300002291547	1	60	0.0	-56.38	426.61	7.31	-49.07
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC2(C(=O)[O-])CCOCC2)C=N1	REAL300002291548	0	54	0.0	-64.82	401.49	6.49	-58.33
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC2(C(=O)[O-])CCOCC2)C=N1	REAL300002291548	1	54	0.0	-71.91	401.51	6.46	-65.45
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC3(C(=O)[O-])CCOCC3)=C2)CC1	REAL300002291553	0	56	0.0	-69.10	412.67	6.58	-62.52
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCOCC3)C=C2)CC1	REAL300002291554	0	56	0.0	-68.12	415.28	6.38	-61.74
CN1CC[NH+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCOCC3)C=C2)CC1	REAL300002291554	1	56	0.0	-70.58	413.76	6.43	-64.15
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300002291555	0	57	0.0	-67.98	416.85	8.00	-59.98
CC(C)[NH+]1CCC(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300002291562	0	50	0.0	-59.86	354.78	6.53	-53.33
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCOCC1	REAL300002291681	0	58	0.0	-73.44	428.93	6.30	-67.14
C[NH+](C)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300002291685	0	47	0.0	-69.01	354.06	7.15	-61.86
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300002291686	0	54	0.0	-59.56	398.65	8.84	-50.72
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300002291686	1	54	0.0	-55.69	390.76	9.07	-46.62
C#CC[NH+]1CCC(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300002291754	0	46	0.0	-63.37	345.14	6.49	-56.88
CCC[N@@H+]1CCCCC1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291756	0	50	0.0	-50.58	349.36	6.46	-44.12
CCC[N@H+]1CCCCC1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291756	1	50	0.0	-48.01	358.81	6.63	-41.38
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291758	0	47	0.0	-55.83	348.10	7.40	-48.43
CC[NH+]1CCN(CCC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300002291760	0	52	0.0	-63.27	374.01	4.30	-58.97
CCN1CC[NH+](CCC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300002291760	1	52	0.0	-58.13	376.13	4.31	-53.82
CC(C)C(C(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCCCC1	REAL300002291762	0	53	0.0	-52.86	367.51	7.46	-45.40
C[NH+](C)C(C(=O)NCC1(C(=O)[O-])CCOCC1)C1=CC=CC=C1	REAL300002291763	1	47	0.0	-51.58	353.18	6.96	-44.62
O=C([O-])C1(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300002291767	0	52	0.0	-57.82	390.52	5.05	-52.77
O=C([O-])C1(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300002291767	1	52	0.0	-55.45	390.54	4.86	-50.59
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291773	1	48	0.0	-53.74	362.94	6.79	-46.95
C[NH+](C)CC1=C(C(=O)NCC2(C(=O)[O-])CCOCC2)OC2=CC=CC=C21	REAL300002291774	0	50	0.0	-59.18	376.78	7.46	-51.72
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2C2CCCC2)CCOCC1	REAL300002291779	0	51	0.0	-51.27	354.56	6.82	-44.45
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2C2CCCC2)CCOCC1	REAL300002291779	1	51	0.0	-49.13	352.52	6.94	-42.19
CC(C)C(C(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CC(C)OC(C)C1	REAL300002291807	1	57	0.0	-50.39	399.30	6.14	-44.25
CC(C(=O)NCC1(C(=O)[O-])CCOCC1)[NH+]1CCCCCC1	REAL300002291808	0	50	0.0	-48.46	344.92	6.14	-42.32
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3(C(=O)[O-])CCOCC3)=CC=C1N2	REAL300002291843	1	52	0.0	-75.47	390.47	7.57	-67.90
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3(C(=O)[O-])CCOCC3)=CC=C1N2	REAL300002291843	1	52	0.0	-72.13	389.87	7.50	-64.63
CC[NH+](CC)CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOCC2)O1	REAL300002291901	0	50	0.0	-62.31	377.87	6.81	-55.50
O=C(CCCC[NH+]1CCCC1)NCC1(C(=O)[O-])CCOCC1	REAL300002291902	0	50	0.0	-63.06	368.85	6.97	-56.09
CC1=CC=C(N2CCC(C(=O)NCC3(C(=O)[O-])CCOCC3)CC2)[NH+]=C1	REAL300002291904	1	53	0.0	-60.31	391.55	6.72	-53.59
C[N@H+](CC(=O)NCC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300002291905	1	47	0.0	-55.59	354.18	7.23	-48.36
C[N@@H+](CC(=O)NCC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300002291905	1	47	0.0	-54.36	352.61	7.27	-47.09
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3(C(=O)[O-])CCOCC3)C=C2)CC1	REAL300002291909	0	59	0.0	-71.50	423.69	7.50	-64.00
O=C([O-])C1(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCOCC1	REAL300002291924	1	42	0.0	-70.96	336.52	4.85	-66.11
C[NH+](C)CC1=CC(C(=O)NCC2(C(=O)[O-])CCOCC2)=NO1	REAL300002291953	1	43	0.0	-73.19	336.33	4.43	-68.76
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291958	0	54	0.0	-61.50	399.13	8.62	-52.88
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002291958	1	54	0.0	-59.74	400.28	8.54	-51.20
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300002291982	0	55	0.0	-69.89	421.01	7.94	-61.95
C[NH+]1CCC(OCC(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300002291999	0	48	0.0	-65.53	358.47	5.56	-59.97
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCOCC1	REAL300002292005	0	51	0.0	-62.01	383.60	7.05	-54.96
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2(C(=O)[O-])CCOCC2)[C@@H](C(F)(F)F)C1	REAL300002292046	0	53	0.0	-61.25	391.44	6.84	-54.41
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2(C(=O)[O-])CCOCC2)[C@@H](C(F)(F)F)C1	REAL300002292046	1	53	0.0	-59.26	390.01	6.93	-52.33
CCC[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300002292189	0	50	0.0	-50.51	356.05	6.70	-43.81
CCC[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300002292189	1	50	0.0	-54.18	355.01	6.86	-47.32
CC(C)C[N@@H+]1CCCC1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002292222	0	50	0.0	-49.24	364.80	6.62	-42.62
CC(C)C[N@H+]1CCCC1C(=O)NCC1(C(=O)[O-])CCOCC1	REAL300002292222	1	50	0.0	-46.64	350.60	6.84	-39.80
O=C(C[NH+]1CCC(CO)CC1)NCC1(C(=O)[O-])CCOCC1	REAL300002292223	1	48	0.0	-54.02	351.32	2.82	-51.20
O=C([O-])C1(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CCOCC1	REAL300002292320	0	55	0.0	-63.84	406.49	9.11	-54.73
O=C([O-])C1(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CCOCC1	REAL300002292320	1	55	0.0	-65.68	408.74	9.10	-56.58
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CCOCC1	REAL300002292358	1	54	0.0	-57.62	393.21	8.69	-48.93
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CCOCC1	REAL300002292358	1	54	0.0	-52.55	393.15	8.70	-43.85
CC(C)[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300002292446	0	50	0.0	-51.21	350.17	6.63	-44.58
CC(C)[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300002292446	1	50	0.0	-53.51	350.15	6.63	-46.88
C[N@@H+]1CC(C(=O)NCC2(C(=O)[O-])CCOCC2)C(C(F)(F)F)C1	REAL300002292447	0	44	0.0	-56.23	341.47	5.39	-50.84
C[N@H+]1CC(C(=O)NCC2(C(=O)[O-])CCOCC2)C(C(F)(F)F)C1	REAL300002292447	1	44	0.0	-52.51	334.65	5.19	-47.32
CC1=C(C)[NH+]=C(CCC(=O)NCC2(C(=O)[O-])CCOCC2)N1	REAL300002292473	1	45	0.0	-51.81	348.76	4.76	-47.05
C[NH+](C)CCC1=CC=CC(C(=O)NCC2(C(=O)[O-])CCOCC2)=C1	REAL300002292952	0	50	0.0	-71.54	376.55	7.99	-63.55
C[NH+](C)CCOC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOCC2)C=C1	REAL300002292959	0	51	0.0	-69.89	385.46	6.92	-62.97
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCC1(C(=O)[O-])CCOCC1	REAL300002293048	0	57	0.0	-64.08	417.29	9.58	-54.50
CC1C[N@H+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCOCC3)C=C2)CCO1	REAL300002293050	1	55	0.0	-71.49	405.40	7.11	-64.38
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CCOCC3)C=C2)CCO1	REAL300002293050	1	55	0.0	-71.98	403.09	7.32	-64.66
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2(C(=O)[O-])CCOCC2)CC1	REAL300002293095	0	50	0.0	-52.96	349.82	6.33	-46.63
CC(C)C[N@@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300002293162	0	53	0.0	-59.15	378.94	7.35	-51.80
CC(C)C[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300002293162	1	53	0.0	-59.15	378.94	7.35	-51.80
CN(C)CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOCC2)O1	REAL300002293168	0	44	0.0	-63.08	342.01	5.18	-57.90
C[NH+](C)CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCOCC2)O1	REAL300002293168	1	44	0.0	-63.08	342.01	5.18	-57.90
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300002293174	0	53	0.0	-65.87	360.91	6.15	-59.72
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2(C(=O)[O-])CCOCC2)C1	REAL300002293174	1	53	0.0	-65.87	360.91	6.15	-59.72
O=C([O-])C1(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)CCOCC1	REAL300002293177	0	46	0.0	-45.81	327.55	6.57	-39.24
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300002295005	0	50	0.0	-71.90	387.71	11.16	-60.74
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CC4=CC=CC=C4C=C3)CN21	REAL300002295029	1	48	0.0	-63.62	385.58	11.00	-52.62
CC(C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)N1CC[NH+](C)CC1	REAL300002295091	1	51	0.0	-71.98	391.59	8.13	-63.85
C[N@@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295121	0	46	0.0	-55.00	360.30	9.90	-45.10
C[N@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295121	1	46	0.0	-61.50	348.03	9.63	-51.87
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300002295181	0	46	0.0	-75.72	362.88	9.94	-65.78
O=C([O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC2=CC=CC=C2C=C1	REAL300002295208	0	41	0.0	-72.43	348.75	11.73	-60.70
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CCCCC1	REAL300002295236	0	55	0.0	-72.67	402.86	11.91	-60.76
C[N@H+](CCC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CCCCC1	REAL300002295240	0	55	0.0	-67.88	416.98	11.81	-56.07
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CCCCC1	REAL300002295240	1	55	0.0	-67.91	416.96	11.82	-56.09
C[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295253	0	43	0.0	-59.03	344.00	9.24	-49.79
C[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295253	1	43	0.0	-57.93	345.06	9.23	-48.70
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300002295297	0	46	0.0	-75.72	362.88	9.94	-65.78
O=C([O-])C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC2=CC=CC=C2C=C1	REAL300002295300	0	49	0.0	-84.80	407.77	10.87	-73.93
O=C([O-])C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300002295311	0	57	0.0	-68.35	423.50	10.42	-57.93
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295342	1	47	0.0	-68.91	389.32	11.20	-57.71
O=C([O-])C(NC(=O)CCCC[NH+]1CCOCC1)C1=CC2=CC=CC=C2C=C1	REAL300002295343	1	53	0.0	-76.09	416.61	9.88	-66.21
C[C@@H](C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)[NH+](C)C	REAL300002295347	0	42	0.0	-60.95	335.83	8.68	-52.27
C[N@@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295348	0	43	0.0	-63.07	338.56	8.77	-54.30
C[N@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295348	1	43	0.0	-58.87	344.90	9.29	-49.58
C[C@H](C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)[NH+](C)C	REAL300002295350	0	42	0.0	-61.21	336.48	8.70	-52.51
O=C([O-])C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC2=CC=CC=C2C=C1	REAL300002295381	0	53	0.0	-67.84	421.52	12.68	-55.16
O=C([O-])C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC2=CC=CC=C2C=C1	REAL300002295381	1	53	0.0	-67.81	423.32	12.79	-55.02
O=C([O-])C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300002295382	0	54	0.0	-79.07	418.38	11.86	-67.21
O=C([O-])C(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=CC2=CC=CC=C2C=C1	REAL300002295404	0	57	0.0	-68.84	415.63	10.18	-58.66
CCC(C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)[NH+](CC)CC	REAL300002295408	0	51	0.0	-54.12	380.93	10.31	-43.81
CC(C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002295410	0	52	0.0	-62.20	413.28	12.23	-49.97
CC(C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002295410	1	52	0.0	-59.69	413.43	12.25	-47.44
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=N1	REAL300002295430	0	48	0.0	-80.35	392.50	10.26	-70.09
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295433	0	57	0.0	-70.25	440.89	12.50	-57.75
C[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300002295435	1	44	0.0	-78.55	355.73	8.75	-69.80
C[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300002295435	1	44	0.0	-67.89	348.59	8.58	-59.31
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295442	1	47	0.0	-58.65	384.19	10.97	-47.68
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=CC2=CC=CC=C2C=C1	REAL300002295454	0	53	0.0	-85.38	421.26	12.94	-72.44
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300002295460	0	46	0.0	-54.30	371.44	9.97	-44.33
C[NH+](C)CCCCC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295467	0	48	0.0	-75.27	383.71	10.42	-64.85
CC1=C(C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002295484	1	47	0.0	-82.61	394.07	10.18	-72.43
O=C([O-])C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=CC2=CC=CC=C2C=C1	REAL300002295496	1	49	0.0	-80.98	402.00	10.32	-70.66
C[NH+](C)CCC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1	REAL300002295497	0	52	0.0	-89.78	419.18	12.56	-77.22
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295502	1	45	0.0	-59.67	367.26	9.35	-50.32
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295509	0	45	0.0	-59.63	357.53	9.71	-49.92
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295509	1	45	0.0	-59.37	357.19	9.68	-49.69
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CCC1	REAL300002295523	0	46	0.0	-58.19	364.76	10.21	-47.98
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CCC1	REAL300002295523	1	46	0.0	-57.36	364.42	10.27	-47.09
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)CC(C)(C)C	REAL300002295546	0	51	0.0	-59.85	388.17	10.71	-49.14
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)CC(C)(C)C	REAL300002295546	1	51	0.0	-59.48	388.31	10.77	-48.71
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295548	0	52	0.0	-62.46	417.43	12.73	-49.73
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295548	1	52	0.0	-62.89	417.67	12.67	-50.22
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295549	0	56	0.0	-67.18	446.69	8.85	-58.33
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295549	1	56	0.0	-69.42	446.49	8.92	-60.50
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)[NH+](C)C	REAL300002295552	0	45	0.0	-58.72	348.36	9.30	-49.42
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300002295554	0	50	0.0	-69.06	385.79	8.72	-60.34
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300002295554	1	50	0.0	-60.61	388.87	8.58	-52.03
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295566	0	54	0.0	-61.19	422.26	11.99	-49.20
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295566	1	54	0.0	-60.76	422.02	12.05	-48.71
O=C([O-])C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC2=CC=CC=C2C=C1	REAL300002295580	1	41	0.0	-79.40	348.78	11.81	-67.59
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CCSC1	REAL300002295588	0	47	0.0	-61.31	377.17	10.52	-50.79
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CCSC1	REAL300002295588	1	47	0.0	-64.33	377.29	10.50	-53.83
CC(C)[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300002295602	0	57	0.0	-73.72	433.89	9.40	-64.32
CC(C)N1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300002295602	1	57	0.0	-66.49	430.75	9.24	-57.25
CC(C)[NH+]1CCN(CCCC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300002295603	0	60	0.0	-72.36	455.40	10.20	-62.16
CC(C)N1CC[NH+](CCCC(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300002295603	1	60	0.0	-71.45	451.74	9.99	-61.46
O=C([O-])C(NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC2=CC=CC=C2C=C1	REAL300002295604	0	50	0.0	-55.02	383.13	11.08	-43.94
O=C([O-])C(NC(=O)C1CCCC2CCC[N@H+]21)C1=CC2=CC=CC=C2C=C1	REAL300002295604	1	50	0.0	-55.10	383.23	11.08	-44.02
C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=N1	REAL300002295606	0	49	0.0	-82.32	402.89	9.73	-72.59
CC(C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002295614	1	53	0.0	-58.98	414.01	12.73	-46.25
CC(C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002295614	1	53	0.0	-58.22	417.03	12.59	-45.63
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=N1	REAL300002295641	0	49	0.0	-89.29	403.23	9.75	-79.54
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002295642	0	49	0.0	-59.67	398.63	9.73	-49.94
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC[N@@H+]1C	REAL300002295644	0	46	0.0	-67.41	353.14	9.32	-58.09
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CC(C)[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CCCCC2)C1	REAL300002301878	1	52	0.0	-53.70	358.82	9.00	-44.70
C[N@@H+]1CC(C(=O)NCC2(C(=O)[O-])CCCCC2)C(C(F)(F)F)C1	REAL300002301879	0	46	0.0	-68.14	352.21	7.57	-60.57
C[N@H+]1CC(C(=O)NCC2(C(=O)[O-])CCCCC2)C(C(F)(F)F)C1	REAL300002301879	1	46	0.0	-67.13	330.36	8.14	-58.99
CC1=C(C)[NH+]=C(CCC(=O)NCC2(C(=O)[O-])CCCCC2)N1	REAL300002301904	1	47	0.0	-53.94	356.43	7.29	-46.65
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CC(C)C[N@H+]1CCCC(C(=O)NCC2(C(=O)[O-])CCCCC2)C1	REAL300002302594	1	55	0.0	-56.55	387.62	9.56	-46.99
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C[NH+](C)CC1=CC=C(C(=O)NCC2(C(=O)[O-])CCCCC2)O1	REAL300002302600	1	46	0.0	-65.33	349.69	7.72	-57.61
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2(C(=O)[O-])CCCCC2)C1	REAL300002302606	0	55	0.0	-68.47	368.54	8.70	-59.77
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2(C(=O)[O-])CCCCC2)C1	REAL300002302606	1	55	0.0	-68.47	368.54	8.70	-59.77
O=C([O-])C1(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)CCCCC1	REAL300002302609	0	48	0.0	-49.17	338.92	8.84	-40.33
CC1(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCCCC1C(=O)[O-]	REAL300002303701	0	56	0.0	-63.75	403.35	11.61	-52.14
CC1(NC(=O)C2CC[NH+](C3CC3)CC2)CCCCC1C(=O)[O-]	REAL300002305036	0	50	0.0	-55.64	350.67	9.37	-46.27
CC1=[NH+]C=C2CCC(C(=O)NC3(C)CCCCC3C(=O)[O-])CN21	REAL300002305059	1	48	0.0	-51.80	343.92	8.56	-43.24
CC1=NC(C[NH+]2CCC(C(=O)NC3(C)CCCCC3C(=O)[O-])CC2)=CS1	REAL300002305120	1	55	0.0	-59.69	404.40	8.76	-50.93
CC(C(=O)NC1(C)CCCCC1C(=O)[O-])N1CC[NH+](C)CC1	REAL300002305121	1	51	0.0	-61.72	354.51	6.34	-55.38
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2(C)CCCCC2C(=O)[O-])C=C1	REAL300002305192	0	59	0.0	-67.61	433.80	11.16	-56.45
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C)CCCCC2C(=O)[O-])=C1	REAL300002305197	0	59	0.0	-69.66	431.13	12.89	-56.77
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C)CCCCC2C(=O)[O-])=C1	REAL300002305197	1	59	0.0	-70.47	431.03	12.89	-57.58
CC1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CCCCC1C(=O)[O-]	REAL300002305249	0	41	0.0	-60.59	309.88	9.90	-50.69
C[NH+](C)CC1(C(=O)NC2(C)CCCCC2C(=O)[O-])CCCCC1	REAL300002305274	0	55	0.0	-61.69	353.19	9.15	-52.54
C[N@H+](CCC(=O)NC1(C)CCCCC1C(=O)[O-])C1CCCCC1	REAL300002305277	0	55	0.0	-56.40	380.40	9.95	-46.45
C[N@@H+](CCC(=O)NC1(C)CCCCC1C(=O)[O-])C1CCCCC1	REAL300002305277	1	55	0.0	-54.83	375.27	9.40	-45.43
CC1(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCCCC1C(=O)[O-]	REAL300002305338	0	49	0.0	-68.26	369.12	9.01	-59.25
CC1(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CCCCC1C(=O)[O-]	REAL300002305354	0	57	0.0	-61.65	388.56	8.08	-53.57
CC1=[NH+]C=CN1CCCC(=O)NC1(C)CCCCC1C(=O)[O-]	REAL300002305382	1	47	0.0	-56.94	350.69	9.31	-47.63
CC1(NC(=O)CCCC[NH+]2CCOCC2)CCCCC1C(=O)[O-]	REAL300002305383	1	53	0.0	-63.92	378.58	7.72	-56.20
CC[N@H+](CC1=CC=C(C(=O)NC2(C)CCCCC2C(=O)[O-])C=C1)C(C)C	REAL300002305384	0	58	0.0	-64.89	404.10	11.30	-53.59
CC[N@@H+](CC1=CC=C(C(=O)NC2(C)CCCCC2C(=O)[O-])C=C1)C(C)C	REAL300002305384	1	58	0.0	-65.11	395.08	10.39	-54.72
CC1(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCCCC1C(=O)[O-]	REAL300002305402	0	53	0.0	-56.97	384.40	10.90	-46.07
CC1(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCCCC1C(=O)[O-]	REAL300002305402	1	53	0.0	-57.59	385.23	10.75	-46.84
CC1(NC(=O)C2CC[NH+](C3CCSC3)CC2)CCCCC1C(=O)[O-]	REAL300002305403	0	54	0.0	-65.77	378.49	9.18	-56.59
CC1(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CCCCC1C(=O)[O-]	REAL300002305431	0	57	0.0	-57.79	376.48	8.35	-49.44
CC(C(=O)NC1(C)CCCCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002305436	0	52	0.0	-53.60	375.23	10.12	-43.48
CC(C(=O)NC1(C)CCCCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002305436	1	52	0.0	-51.07	371.39	9.81	-41.26
CC1(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCCCC1C(=O)[O-]	REAL300002305444	0	59	0.0	-59.91	423.38	12.46	-47.45
CC1(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCCCC1C(=O)[O-]	REAL300002305444	1	59	0.0	-51.99	413.69	12.06	-39.93
C[NH+](C)CC1=CC=C(C(=O)NC2(C)CCCCC2C(=O)[O-])C=N1	REAL300002305460	0	48	0.0	-67.27	352.65	7.16	-60.11
CCC[NH+](CCC)CCCC(=O)NC1(C)CCCCC1C(=O)[O-]	REAL300002305467	0	57	0.0	-58.34	400.15	9.94	-48.40
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C)CCCCC1C(=O)[O-]	REAL300002305474	1	47	0.0	-49.26	345.37	9.14	-40.12
CC1(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCCCC1C(=O)[O-]	REAL300002305487	0	53	0.0	-66.60	379.23	10.46	-56.14
CC1(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCCCC1C(=O)[O-]	REAL300002305492	0	56	0.0	-65.17	396.00	11.16	-54.01
CCN1CCC([NH+]2CCC(C(=O)NC3(C)CCCCC3C(=O)[O-])CC2)CC1	REAL300002305498	0	64	0.0	-56.30	427.16	8.54	-47.76
CC1C[NH+](CC2=CC=C(C(=O)NC3(C)CCCCC3C(=O)[O-])C=C2)CC(C)O1	REAL300002305505	1	60	0.0	-69.32	429.31	10.19	-59.13
CC1(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CCCCC1C(=O)[O-]	REAL300002305516	1	57	0.0	-65.15	408.80	10.89	-54.26
CC1(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CCCCC1C(=O)[O-]	REAL300002305516	1	57	0.0	-65.97	411.92	10.14	-55.83
CC1=C(C(=O)NC2(C)CCCCC2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002305532	1	47	0.0	-72.03	355.39	8.38	-63.65
CC1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCCCC1C(=O)[O-]	REAL300002305535	0	56	0.0	-68.95	401.65	11.71	-57.24
CC1(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCCCC1C(=O)[O-]	REAL300002305546	1	49	0.0	-70.38	364.65	8.60	-61.78
C[NH+](C)CCC1=CC=C(C(=O)NC2(C)CCCCC2C(=O)[O-])C=C1	REAL300002305547	0	52	0.0	-73.11	382.60	10.69	-62.42
CNC1=[NH+]C(C)=CC=C1C(=O)NC1(C)CCCCC1C(=O)[O-]	REAL300002305552	1	45	0.0	-48.44	330.53	7.59	-40.85
CC(C(=O)NC1(C)CCCCC1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002305563	0	62	0.0	-51.05	434.50	12.30	-38.75
CC(C(=O)NC1(C)CCCCC1C(=O)[O-])[NH+]1CCSCC1	REAL300002305592	1	47	0.0	-50.83	331.82	7.58	-43.25
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C)CCCCC1C(=O)[O-]	REAL300002305599	0	52	0.0	-55.82	379.47	10.57	-45.25
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C)CCCCC1C(=O)[O-]	REAL300002305599	1	52	0.0	-53.34	375.98	10.25	-43.09
COCCOCC[N@H+](C)CCC(=O)NC1(C)CCCCC1C(=O)[O-]	REAL300002305600	0	56	0.0	-57.92	409.42	7.12	-50.80
COCCOCC[N@@H+](C)CCC(=O)NC1(C)CCCCC1C(=O)[O-]	REAL300002305600	1	56	0.0	-58.78	407.90	7.02	-51.76
C[N@@H+]1CCCC(O)(CC(=O)NC2(C)CCCCC2C(=O)[O-])C1	REAL300002305603	0	50	0.0	-56.59	343.73	6.14	-50.45
C[N@H+]1CCCC(O)(CC(=O)NC2(C)CCCCC2C(=O)[O-])C1	REAL300002305603	1	50	0.0	-56.40	347.14	6.02	-50.38
CC1(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCCC1C(=O)[O-]	REAL300002305610	0	61	0.0	-63.07	431.88	9.85	-53.22
CCCCCC[N@H+](C)CC(=O)NC1(C)CCCCC1C(=O)[O-]	REAL300002305612	0	54	0.0	-52.30	383.45	10.16	-42.14
CCCCCC[N@@H+](C)CC(=O)NC1(C)CCCCC1C(=O)[O-]	REAL300002305612	1	54	0.0	-53.16	384.06	9.89	-43.27
CC1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CCCCC1C(=O)[O-]	REAL300002305622	1	41	0.0	-63.49	310.15	9.92	-53.57
C[N@H+](CC(=O)NC1(C)CCCCC1C(=O)[O-])C1CCSC1	REAL300002305638	0	47	0.0	-54.31	340.75	8.73	-45.58
C[N@@H+](CC(=O)NC1(C)CCCCC1C(=O)[O-])C1CCSC1	REAL300002305638	1	47	0.0	-54.59	335.57	8.07	-46.52
CC(C)[NH+]1CCN(CCC(=O)NC2(C)CCCCC2C(=O)[O-])CC1	REAL300002305651	0	57	0.0	-58.53	395.68	7.30	-51.23
CC(C)[NH+]1CCN(CCCC(=O)NC2(C)CCCCC2C(=O)[O-])CC1	REAL300002305652	0	60	0.0	-59.45	413.69	7.79	-51.66
CC(C)N1CC[NH+](CCCC(=O)NC2(C)CCCCC2C(=O)[O-])CC1	REAL300002305652	1	60	0.0	-58.96	410.93	7.50	-51.46
CC1(NC(=O)C2CCCC3CCC[N@@H+]32)CCCCC1C(=O)[O-]	REAL300002305653	0	50	0.0	-51.46	336.86	8.68	-42.78
CC1(NC(=O)C2CCCC3CCC[N@H+]32)CCCCC1C(=O)[O-]	REAL300002305653	1	50	0.0	-47.25	332.54	8.36	-38.89
C[NH+](C)CCN1C=C(C(=O)NC2(C)CCCCC2C(=O)[O-])C=N1	REAL300002305655	0	49	0.0	-70.97	364.02	7.91	-63.06
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3(C)CCCCC3C(=O)[O-])CC2)=C1	REAL300002305658	0	61	0.0	-59.61	433.93	10.40	-49.21
CC1(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCCC1C(=O)[O-]	REAL300002305660	0	58	0.0	-59.67	412.53	9.74	-49.93
CC1(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCCCC1C(=O)[O-]	REAL300002305662	0	55	0.0	-60.74	391.94	9.99	-50.75
CC1(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCCCC1C(=O)[O-]	REAL300002305662	1	55	0.0	-58.12	390.96	10.04	-48.08
CC(C(=O)NC1(C)CCCCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002305667	1	53	0.0	-51.19	376.30	11.07	-40.12
CC(C(=O)NC1(C)CCCCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002305667	1	53	0.0	-48.85	378.79	10.50	-38.35
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CC1(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CCCCC1C(=O)[O-]	REAL300002305690	1	56	0.0	-62.16	406.83	11.72	-50.44
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CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C1CCCOC1	REAL300002314603	1	48	0.0	-59.37	366.31	6.86	-52.51
CC(C(=O)NC(C(=O)[O-])C1CCCOC1)[NH+]1CCCCCC1	REAL300002314631	0	50	0.0	-58.32	345.39	6.40	-51.92
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3CCCOC3)=CC=C1N2	REAL300002314662	1	52	0.0	-79.61	396.41	7.87	-71.74
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3CCCOC3)=CC=C1N2	REAL300002314662	1	52	0.0	-81.26	399.56	7.87	-73.39
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCOC2)O1	REAL300002314706	0	50	0.0	-74.32	381.22	6.87	-67.45
O=C(CCCC[NH+]1CCCC1)NC(C(=O)[O-])C1CCCOC1	REAL300002314707	0	50	0.0	-68.96	371.64	7.09	-61.87
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C3CCCOC3)CC2)[NH+]=C1	REAL300002314709	1	53	0.0	-68.78	394.35	6.84	-61.94
C[N@H+](CC(=O)NC(C(=O)[O-])C1CCCOC1)CC1=CC=CC=C1	REAL300002314710	1	47	0.0	-60.45	356.97	7.37	-53.08
C[N@@H+](CC(=O)NC(C(=O)[O-])C1CCCOC1)CC1=CC=CC=C1	REAL300002314710	1	47	0.0	-60.02	356.97	7.37	-52.65
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C(=O)[O-])C3CCCOC3)C=C2)CC1	REAL300002314714	0	59	0.0	-80.32	427.06	7.56	-72.76
O=C([O-])C(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CCCOC1	REAL300002314726	1	42	0.0	-76.79	340.20	5.14	-71.65
C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C2CCCOC2)=NO1	REAL300002314748	1	43	0.0	-77.68	345.49	5.00	-72.68
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CCCOC1	REAL300002314753	0	54	0.0	-68.61	405.44	8.82	-59.79
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CCCOC1	REAL300002314753	1	54	0.0	-74.98	411.08	8.92	-66.06
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C(=O)[O-])C2CCCOC2)C=C1	REAL300002314776	0	55	0.0	-80.66	422.81	8.23	-72.43
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300002314788	0	48	0.0	-75.86	360.26	5.87	-69.99
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CCCOC1	REAL300002314794	0	51	0.0	-75.02	392.52	7.65	-67.37
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300002314930	0	50	0.0	-64.62	368.15	7.00	-57.62
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300002314930	1	50	0.0	-63.90	367.20	6.97	-56.93
O=C([O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C1CCCOC1	REAL300002314957	1	48	0.0	-59.10	354.69	2.89	-56.21
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300002315128	0	50	0.0	-58.07	359.00	6.98	-51.09
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300002315128	1	50	0.0	-52.51	352.35	6.74	-45.77
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C2CCCOC2)C(C(F)(F)F)C1	REAL300002315129	0	44	0.0	-67.45	335.76	5.58	-61.87
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C2CCCOC2)C(C(F)(F)F)C1	REAL300002315129	1	44	0.0	-74.23	341.37	5.51	-68.72
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2CCCOC2)N1	REAL300002315153	1	45	0.0	-58.73	350.55	5.06	-53.67
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCCOC2)=C1	REAL300002315537	0	50	0.0	-76.66	387.02	8.29	-68.37
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCOC2)C=C1	REAL300002315544	0	51	0.0	-80.76	394.31	7.25	-73.51
O=C([O-])C(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCOC1	REAL300002315626	0	57	0.0	-67.37	420.02	9.72	-57.65
CC1C[N@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCCOC3)C=C2)CCO1	REAL300002315628	1	55	0.0	-80.54	408.98	7.60	-72.94
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCCOC3)C=C2)CCO1	REAL300002315628	1	55	0.0	-82.35	411.87	7.63	-74.72
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2CCCOC2)CC1	REAL300002315656	0	50	0.0	-66.95	352.59	6.46	-60.49
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3CCCOC3)=CN21	REAL300002315661	0	42	0.0	-64.01	331.90	7.06	-56.95
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300002315710	0	53	0.0	-65.16	382.29	7.42	-57.74
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCOC2)C1	REAL300002315710	1	53	0.0	-57.73	376.38	7.61	-50.12
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCOC2)O1	REAL300002315716	1	44	0.0	-77.46	344.37	5.42	-72.04
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1CCCOC1	REAL300002315724	1	46	0.0	-62.08	335.54	6.25	-55.83
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1CCCOC1	REAL300002315724	1	46	0.0	-60.17	340.37	6.84	-53.33
CON(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002315767	0	44	0.0	-43.98	341.46	9.08	-34.90
CON(CC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002315767	1	44	0.0	-44.75	341.31	9.09	-35.66
CN(OCC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002315834	0	44	0.0	-43.64	341.81	8.94	-34.70
CN(OCC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002315834	1	44	0.0	-46.18	349.29	9.40	-36.78
CC1(C)CN(C(=O)C2CC2)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002315929	0	54	0.0	-51.87	385.36	8.85	-43.02
CC1(C)CN(C(=O)C2CC2)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002315929	1	54	0.0	-56.54	392.72	9.31	-47.23
COC1=CC(C)=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002316063	0	47	0.0	-48.35	361.41	7.36	-40.99
COC1=CC(C)=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002316063	1	47	0.0	-49.07	367.62	7.38	-41.69
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002316138	0	46	0.0	-49.42	347.58	8.76	-40.66
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002316138	1	46	0.0	-46.15	345.66	8.32	-37.83
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002316303	0	55	0.0	-52.91	411.22	8.59	-44.32
CC1=NN(C(C)(C)C)C=C1C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002316303	1	55	0.0	-52.03	411.30	8.59	-43.44
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)C1	REAL300002316435	1	41	0.0	-51.14	340.04	7.44	-43.70
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(Cl)C(OC(F)F)=C2)C1	REAL300002316435	1	41	0.0	-52.75	345.51	7.41	-45.34
CC(CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC=CS1	REAL300002316576	0	45	0.0	-48.49	348.49	7.84	-40.65
CC(CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC=CS1	REAL300002316576	1	45	0.0	-50.07	355.18	7.84	-42.23
COC1=CC=CC2=C1CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300002316694	0	48	0.0	-49.67	361.25	9.03	-40.64
COC1=CC=CC2=C1CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300002316694	1	48	0.0	-50.92	361.17	9.03	-41.89
COC1=CC=C2C(=C1)CCCCN2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002316809	0	51	0.0	-41.13	373.41	10.14	-30.99
COC1=CC=C2C(=C1)CCCCN2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002316809	1	51	0.0	-44.21	379.47	10.16	-34.05
CC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300002316918	0	43	0.0	-47.62	345.96	8.50	-39.12
CC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300002316918	1	43	0.0	-49.54	352.17	8.53	-41.01
CC1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300002317001	0	47	0.0	-49.42	348.93	9.13	-40.29
CC1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC2=CC=CC=C2C1	REAL300002317001	1	47	0.0	-50.04	355.65	9.17	-40.87
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3=CC=C(F)C=C3F)N=C2)C1	REAL300002317172	1	47	0.0	-53.83	384.41	7.75	-46.08
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3=CC=C(F)C=C3F)N=C2)C1	REAL300002317172	1	47	0.0	-52.90	383.08	7.30	-45.60
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(NC(=O)C3=CC=CC=C3)N=C2)C1	REAL300002317286	1	50	0.0	-56.77	392.69	9.01	-47.76
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(NC(=O)C3=CC=CC=C3)N=C2)C1	REAL300002317286	1	50	0.0	-58.27	391.38	8.56	-49.71
CCNC(=O)NCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002317410	0	52	0.0	-56.42	409.25	5.80	-50.62
CCNC(=O)NCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002317410	1	52	0.0	-57.25	409.14	5.82	-51.43
CCN(CC1=CC=CC(C2=CC=NC=C2)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002317536	0	55	0.0	-49.50	422.59	12.05	-37.45
CCN(CC1=CC=CC(C2=CC=NC=C2)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002317536	1	55	0.0	-52.45	411.42	11.86	-40.59
CC(C1=CC=C(C2=CC=CC=C2)C=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002317644	0	56	0.0	-49.74	418.15	13.31	-36.43
CC(C1=CC=C(C2=CC=CC=C2)C=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002317644	1	56	0.0	-49.64	420.96	13.86	-35.78
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(F)C=C3F)CCC2)C1	REAL300002317745	0	47	0.0	-52.59	360.77	9.11	-43.48
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C(F)C=C3F)CCC2)C1	REAL300002317745	1	47	0.0	-52.50	360.04	9.05	-43.45
CC(C)C1=NN(C2=CC=CC=C2)C=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002317861	0	56	0.0	-50.50	431.74	10.43	-40.07
CC(C)C1=NN(C2=CC=CC=C2)C=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002317861	1	56	0.0	-52.72	437.93	10.45	-42.27
COCCCOC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002317984	0	54	0.0	-48.52	417.02	7.50	-41.02
COCCCOC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002317984	1	54	0.0	-50.38	423.24	7.52	-42.86
CCC1C(C2=CC=C(C)C=C2)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002318177	0	56	0.0	-49.10	395.41	11.65	-37.45
CCC1C(C2=CC=C(C)C=C2)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002318177	1	56	0.0	-48.30	400.11	11.61	-36.69
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1(C(=O)NCC2CC2)CCCC1	REAL300002318335	0	54	0.0	-57.75	406.39	7.16	-50.59
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1(C(=O)NCC2CC2)CCCC1	REAL300002318335	1	54	0.0	-59.94	398.51	7.11	-52.83
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCN(C(=O)C2CCCC2)C1	REAL300002318543	0	54	0.0	-55.09	400.43	7.70	-47.39
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCN(C(=O)C2CCCC2)C1	REAL300002318543	1	54	0.0	-54.28	399.39	7.66	-46.62
CCC1=NC2=C(S1)C(N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CCC2	REAL300002318663	0	52	0.0	-46.78	392.58	9.31	-37.47
CCC1=NC2=C(S1)C(N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CCC2	REAL300002318663	1	52	0.0	-49.68	394.47	9.77	-39.91
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCN(C(=O)CCC3=CC=CC=C3)C2)C1	REAL300002318776	0	57	0.0	-52.34	435.20	9.32	-43.02
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCN(C(=O)CCC3=CC=CC=C3)C2)C1	REAL300002318776	1	57	0.0	-54.45	441.95	9.78	-44.67
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CN(CC3=CC=CC=C3)C2=O)C1	REAL300002318897	0	50	0.0	-53.08	391.54	10.81	-42.27
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CN(CC3=CC=CC=C3)C2=O)C1	REAL300002318897	1	50	0.0	-52.72	390.42	10.62	-42.10
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CN(CC3=CC=C(F)C=C3)C2=O)C1	REAL300002319020	0	50	0.0	-63.84	398.07	10.87	-52.97
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CN(CC3=CC=C(F)C=C3)C2=O)C1	REAL300002319020	1	50	0.0	-54.06	396.83	10.69	-43.37
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3N=CC4=CC=CC=C43)C=C2)C1	REAL300002319139	0	50	0.0	-57.71	394.77	10.58	-47.13
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3N=CC4=CC=CC=C43)C=C2)C1	REAL300002319139	1	50	0.0	-56.14	394.89	10.56	-45.58
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(F)C=C2NC2=CC=CC=C2F)C1	REAL300002319247	1	49	0.0	-54.67	385.93	10.11	-44.56
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(F)C=C2NC2=CC=CC=C2F)C1	REAL300002319247	1	49	0.0	-48.09	387.96	9.68	-38.41
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NC(C2=CC=CC=C2)=NO1	REAL300002319357	0	51	0.0	-56.65	401.76	7.52	-49.13
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NC(C2=CC=CC=C2)=NO1	REAL300002319357	1	51	0.0	-56.58	407.96	7.54	-49.04
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC(CC1CCOC1)C1=CC=CC=C1	REAL300002319474	0	54	0.0	-53.26	404.46	9.47	-43.79
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC(CC1CCOC1)C1=CC=CC=C1	REAL300002319474	1	54	0.0	-50.28	406.46	10.00	-40.28
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300002319593	0	53	0.0	-51.32	419.17	9.84	-41.48
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300002319593	1	53	0.0	-51.90	420.32	9.87	-42.03
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC2C2=CC=CC=C2C(F)(F)F)C1	REAL300002319722	0	53	0.0	-45.50	402.19	10.87	-34.63
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC2C2=CC=CC=C2C(F)(F)F)C1	REAL300002319722	1	53	0.0	-46.38	408.59	10.81	-35.57
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(F)C=C3F)CCCCC2)C1	REAL300002319819	0	53	0.0	-53.24	388.43	10.74	-42.50
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C(F)C=C3F)CCCCC2)C1	REAL300002319819	1	53	0.0	-52.27	382.21	10.72	-41.55
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=C(F)C=C3Cl)CC2)C1	REAL300002319932	0	47	0.0	-49.12	385.62	10.03	-39.09
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=C(F)C=C3Cl)CC2)C1	REAL300002319932	1	47	0.0	-51.16	372.99	9.64	-41.52
CC(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1F	REAL300002320047	0	49	0.0	-48.34	378.77	9.58	-38.76
CC(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1F	REAL300002320047	1	49	0.0	-52.04	375.34	9.84	-42.20
CN(CCC1=CN=CC=N1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002320123	0	44	0.0	-52.13	339.05	6.61	-45.52
CN(CCC1=CN=CC=N1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002320123	1	44	0.0	-50.96	345.00	6.62	-44.34
CCC(CC)C1CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300002320228	0	56	0.0	-48.06	403.64	8.15	-39.91
CCC(CC)C1CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300002320228	1	56	0.0	-47.46	398.44	8.20	-39.26
CC(C)CC1CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300002320344	0	53	0.0	-48.38	386.15	7.92	-40.46
CC(C)CC1CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300002320344	1	53	0.0	-48.17	384.55	7.62	-40.55
CC(C)C1CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300002320428	0	50	0.0	-48.15	367.04	6.89	-41.26
CC(C)C1CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300002320428	1	50	0.0	-47.68	362.87	6.85	-40.83
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCN(C3=CC=CC=C3F)C2=O)C1	REAL300002320536	0	51	0.0	-58.67	400.31	8.84	-49.83
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCN(C3=CC=CC=C3F)C2=O)C1	REAL300002320536	1	51	0.0	-56.89	399.02	8.82	-48.07
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCN(CC3=CC=CC=C3)C2=O)C1	REAL300002320660	0	54	0.0	-50.30	406.63	9.26	-41.04
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCN(CC3=CC=CC=C3)C2=O)C1	REAL300002320660	1	54	0.0	-52.22	412.05	9.21	-43.01
COCC1(C)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002320750	0	50	0.0	-46.36	360.41	7.59	-38.77
COCC1(C)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002320750	1	50	0.0	-43.69	352.96	7.13	-36.56
CCOC1=CC(C(=O)N(C)C)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002320951	1	54	0.0	-53.84	405.57	7.06	-46.78
CCOC1=CC(C(=O)N(C)C)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002320951	1	54	0.0	-51.34	407.44	7.52	-43.82
CC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC2CCOC2)=C1	REAL300002321062	0	55	0.0	-48.85	416.85	7.78	-41.07
CC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC2CCOC2)=C1	REAL300002321062	1	55	0.0	-49.06	422.32	7.75	-41.31
CC1=CC(C)=NN1C1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002321186	0	53	0.0	-47.36	407.07	10.52	-36.84
CC1=CC(C)=NN1C1=CC=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002321186	1	53	0.0	-47.32	413.51	10.56	-36.76
CC1=CC=C(CN2C=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=O)C=C1	REAL300002321311	0	53	0.0	-52.72	411.84	11.29	-41.43
CC1=CC=C(CN2C=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=O)C=C1	REAL300002321311	1	53	0.0	-53.16	412.94	11.48	-41.68
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(NC(=O)C3CCCCC3)=C2)C1	REAL300002321429	0	57	0.0	-57.13	422.25	9.59	-47.54
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(NC(=O)C3CCCCC3)=C2)C1	REAL300002321429	1	57	0.0	-51.71	428.27	9.54	-42.17
O=C([O-])C1CCC[N@H+](CC(=O)NCC(C2=CC=C(Cl)C=C2)N2C=CC=N2)C1	REAL300002321544	0	50	0.0	-49.14	407.85	9.15	-39.99
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(C2=CC=C(Cl)C=C2)N2C=CC=N2)C1	REAL300002321544	1	50	0.0	-46.64	401.58	9.13	-37.51
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(N3C=CC(C(F)(F)F)=N3)CC2)C1	REAL300002321657	0	50	0.0	-52.04	388.17	8.69	-43.35
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(N3C=CC(C(F)(F)F)=N3)CC2)C1	REAL300002321657	1	50	0.0	-56.04	395.42	9.14	-46.90
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=CC(C(F)(F)F)=C3)C2)C1	REAL300002321775	0	50	0.0	-50.51	396.14	11.21	-39.30
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=CC(C(F)(F)F)=C3)C2)C1	REAL300002321775	1	50	0.0	-47.26	389.52	10.81	-36.45
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(F)C=C2OC2CCCC2)C1	REAL300002321957	1	51	0.0	-46.94	385.80	9.75	-37.19
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(F)C=C2OC2CCCC2)C1	REAL300002321957	1	51	0.0	-46.79	383.92	9.33	-37.46
CC(C)(C)C1=CC=C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300002322181	0	56	0.0	-48.50	409.39	11.98	-36.52
CC(C)(C)C1=CC=C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300002322181	1	56	0.0	-49.01	409.32	11.99	-37.02
COC1=CC=C(CC(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002322311	0	53	0.0	-49.53	397.79	8.80	-40.73
COC1=CC=C(CC(C)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002322311	1	53	0.0	-47.74	396.59	8.37	-39.37
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC(Cl)=C3)CCCC2)C1	REAL300002322431	0	50	0.0	-51.11	384.45	10.44	-40.67
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC(Cl)=C3)CCCC2)C1	REAL300002322431	1	50	0.0	-46.49	378.16	10.38	-36.11
COC1=CC=CC=C1COC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002322702	0	58	0.0	-49.69	435.41	10.05	-39.64
COC1=CC=CC=C1COC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002322702	1	58	0.0	-46.77	427.93	9.59	-37.18
O=C([O-])C1CCC[N@H+](CC(=O)NCCOCC2=CC=C(Cl)C=C2Cl)C1	REAL300002322813	0	47	0.0	-49.32	402.05	8.67	-40.65
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOCC2=CC=C(Cl)C=C2Cl)C1	REAL300002322813	1	47	0.0	-48.25	395.85	8.65	-39.60
CC(C)CSCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002322902	0	49	0.0	-47.81	384.15	8.65	-39.16
CC(C)CSCCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002322902	1	49	0.0	-48.49	384.79	8.67	-39.82
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C1	REAL300002323014	0	49	0.0	-54.42	411.46	8.87	-45.55
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C1	REAL300002323014	1	49	0.0	-51.08	405.27	8.85	-42.23
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCN(C(=O)C3=CC=CC=C3)CC2)C1	REAL300002323125	0	54	0.0	-61.34	397.90	10.38	-50.96
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCN(C(=O)C3=CC=CC=C3)CC2)C1	REAL300002323125	1	54	0.0	-55.35	390.44	9.93	-45.42
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NN=CN2C2=CC=CC=C2)C1	REAL300002323252	0	46	0.0	-55.27	368.01	10.14	-45.13
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NN=CN2C2=CC=CC=C2)C1	REAL300002323252	1	46	0.0	-50.29	361.83	10.12	-40.17
CC1=CC(C)=NN1C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300002323414	1	50	0.0	-62.09	397.60	9.66	-52.43
CC1=CC(C)=NN1C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300002323414	1	50	0.0	-56.49	392.11	9.70	-46.79
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(C3=CC=CC=C3)=NO2)C1	REAL300002323659	0	46	0.0	-54.19	371.67	8.57	-45.62
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(C3=CC=CC=C3)=NO2)C1	REAL300002323659	1	46	0.0	-50.27	365.48	8.55	-41.72
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL300002323788	0	46	0.0	-53.51	358.94	10.03	-43.48
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1=CC2=C(C=C1)C1=C(C=CC=C1)O2	REAL300002323788	1	46	0.0	-52.43	358.15	9.57	-42.86
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC3=CC=CC=C3C=C2)C1	REAL300002323908	0	46	0.0	-49.59	362.82	9.67	-39.92
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC3=CC=CC=C3C=C2)C1	REAL300002323908	1	46	0.0	-48.06	356.61	9.65	-38.41
CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002324019	0	48	0.0	-52.83	376.42	9.17	-43.66
CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002324019	1	48	0.0	-52.90	378.93	9.14	-43.76
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300002324160	0	43	0.0	-50.76	332.35	8.44	-42.32
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300002324160	1	43	0.0	-49.61	331.94	8.41	-41.20
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)C1	REAL300002324278	0	51	0.0	-51.85	383.79	8.66	-43.19
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C3=CC=CC([N+](=O)[O-])=C3)CC2)C1	REAL300002324278	1	51	0.0	-54.41	391.30	9.12	-45.29
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC3=C(C=C2F)NC(=O)CC3)C1	REAL300002324401	1	45	0.0	-50.61	349.42	6.61	-44.00
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC3=C(C=C2F)NC(=O)CC3)C1	REAL300002324401	1	45	0.0	-54.32	355.73	6.59	-47.73
O=C([O-])C1CCC[N@H+](CC(=O)NCC(=O)NCC(F)(F)F)C1	REAL300002324610	0	40	0.0	-51.05	335.08	3.36	-47.69
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(=O)NCC(F)(F)F)C1	REAL300002324610	1	40	0.0	-48.04	328.87	3.34	-44.70
CC1=NC(C2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)=NO1	REAL300002324821	0	45	0.0	-53.85	362.25	6.64	-47.21
CC1=NC(C2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)=NO1	REAL300002324821	1	45	0.0	-60.11	357.04	6.65	-53.46
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CN=C12	REAL300002324952	0	46	0.0	-57.88	357.75	7.18	-50.70
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CN=C12	REAL300002324952	1	46	0.0	-57.49	351.28	7.17	-50.32
CC(C)OC1=CC=C(Br)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002325057	1	47	0.0	-48.36	380.27	8.87	-39.49
CC(C)OC1=CC=C(Br)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002325057	1	47	0.0	-48.45	375.69	9.00	-39.45
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(NC(=O)C3=CC=NC=C3)=C2)C1	REAL300002325146	0	53	0.0	-52.86	423.67	7.68	-45.18
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(NC(=O)C3=CC=NC=C3)=C2)C1	REAL300002325146	1	53	0.0	-53.65	417.47	7.66	-45.99
CC1=CC=C(C(=O)N2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)S1	REAL300002325255	0	51	0.0	-55.44	397.06	8.89	-46.55
CC1=CC=C(C(=O)N2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)S1	REAL300002325255	1	51	0.0	-50.99	390.17	8.50	-42.49
CC(C)CCC1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002325335	0	52	0.0	-45.34	377.49	10.21	-35.13
CC(C)CCC1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002325335	1	52	0.0	-46.02	378.17	10.24	-35.78
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2NC2=CC=C(F)C=C2F)C1	REAL300002325425	0	49	0.0	-45.29	388.87	10.14	-35.15
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2NC2=CC=C(F)C=C2F)C1	REAL300002325425	1	49	0.0	-48.72	381.42	9.52	-39.20
CC(C)OC1=CC=CC(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002325534	0	53	0.0	-47.89	402.53	10.32	-37.57
CC(C)OC1=CC=CC(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002325534	1	53	0.0	-48.28	403.70	10.36	-37.92
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC(F)(F)F)C2=CC=C(Cl)C=C2)C1	REAL300002325645	0	46	0.0	-50.13	369.09	9.66	-40.47
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC(F)(F)F)C2=CC=C(Cl)C=C2)C1	REAL300002325645	1	46	0.0	-50.97	377.05	9.72	-41.25
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C3=NC=CO3)=C2)C1	REAL300002325747	0	43	0.0	-57.27	340.88	5.81	-51.46
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C3=NC=CO3)=C2)C1	REAL300002325747	1	43	0.0	-55.70	346.10	5.81	-49.89
CC1(C2=CC=CC=C2)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002325871	0	53	0.0	-48.01	381.05	11.05	-36.96
CC1(C2=CC=CC=C2)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002325871	1	53	0.0	-44.74	373.56	10.60	-34.14
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(F)C=CC=C3C2)C1	REAL300002326017	0	44	0.0	-52.28	338.39	9.70	-42.58
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(F)C=CC=C3C2)C1	REAL300002326017	1	44	0.0	-50.95	338.47	9.69	-41.26
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=NC(OC3CCOCC3)=C2)C1	REAL300002326135	0	54	0.0	-52.12	418.35	5.52	-46.60
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=NC(OC3CCOCC3)=C2)C1	REAL300002326135	1	54	0.0	-51.00	412.14	5.50	-45.50
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C(=O)C3=CC=CS3)CC2)C1	REAL300002326260	0	49	0.0	-49.70	378.18	9.54	-40.16
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C(=O)C3=CC=CS3)CC2)C1	REAL300002326260	1	49	0.0	-53.62	385.69	10.00	-43.62
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CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002332215	0	58	0.0	-85.92	436.88	11.01	-74.91
CCCCCC[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=C(C)C=C1C	REAL300002332219	0	51	0.0	-80.33	390.06	10.73	-69.60
CCCCCC[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=C(C)C=C1C	REAL300002332219	1	51	0.0	-80.42	390.06	10.74	-69.68
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C12CCC[NH+]1CCC2	REAL300002332228	0	44	0.0	-84.27	331.09	8.93	-75.34
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300002332236	1	38	0.0	-91.85	316.82	10.49	-81.36
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)C1CCSC1	REAL300002332254	0	44	0.0	-82.68	345.82	9.21	-73.47
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)C1CCSC1	REAL300002332254	1	44	0.0	-80.33	341.86	9.12	-71.21
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CCN1CC[NH+](C(C)C)CC1	REAL300002332269	0	54	0.0	-84.00	401.68	8.15	-75.85
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CC[NH+]1CCN(C(C)C)CC1	REAL300002332269	1	54	0.0	-80.95	394.25	7.84	-73.11
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300002332270	0	57	0.0	-80.31	420.55	8.90	-71.41
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300002332270	1	57	0.0	-81.74	415.75	8.63	-73.11
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300002332271	0	47	0.0	-76.79	342.44	9.49	-67.30
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCCC2CCC[N@H+]21	REAL300002332271	1	47	0.0	-77.37	344.34	9.55	-67.82
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300002332273	0	46	0.0	-92.16	370.70	8.44	-83.72
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=CC(C(=O)[O-])=C(C)C=C3C)CC2)=C1	REAL300002332281	0	58	0.0	-87.20	440.54	10.97	-76.23
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002332283	0	55	0.0	-84.91	415.39	10.20	-74.71
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002332286	0	52	0.0	-83.96	395.93	10.58	-73.38
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002332286	1	52	0.0	-80.78	398.34	10.19	-70.59
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002332291	1	50	0.0	-80.60	385.39	11.41	-69.19
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300002332291	1	50	0.0	-77.86	381.65	11.27	-66.59
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002332317	0	53	0.0	-86.37	407.73	12.07	-74.30
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002332317	1	53	0.0	-88.13	409.33	12.14	-75.99
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300002332333	0	46	0.0	-98.16	367.30	8.36	-89.80
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300002332334	0	46	0.0	-64.72	361.50	8.37	-56.35
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(C(=O)[O-])=C(C)C=C1C	REAL300002332340	1	47	0.0	-75.51	369.65	10.13	-65.38
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)CC[N@@H+]1C	REAL300002332343	0	46	0.0	-84.07	340.49	8.58	-75.49
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)CC[N@H+]1C	REAL300002332343	1	46	0.0	-83.63	346.04	8.89	-74.74
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300002332346	1	47	0.0	-88.76	368.38	7.92	-80.84
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300002332346	1	47	0.0	-86.07	363.30	7.40	-78.67
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300002332354	1	44	0.0	-98.28	337.53	8.02	-90.26
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300002332354	1	44	0.0	-94.13	341.48	7.93	-86.20
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002332360	0	53	0.0	-83.89	414.17	12.22	-71.67
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002332360	1	53	0.0	-80.69	409.89	12.11	-68.58
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C(C)C[NH+]1CCOCC1	REAL300002332366	0	47	0.0	-82.61	357.37	7.67	-74.94
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002332367	0	54	0.0	-87.07	416.88	9.72	-77.35
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C[NH+]1CCC(C)CC1	REAL300002332376	0	46	0.0	-79.49	348.45	9.46	-70.03
CC[N@@H+]1CCOC(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)C1	REAL300002332391	1	44	0.0	-85.56	330.32	7.71	-77.85
CC[N@H+]1CCOC(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)C1	REAL300002332391	1	44	0.0	-91.93	338.63	7.92	-84.01
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1	REAL300002332430	1	53	0.0	-89.42	408.45	10.52	-78.90
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002332431	0	53	0.0	-81.44	389.01	10.78	-70.66
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002332431	1	53	0.0	-82.78	392.63	10.87	-71.91
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CCC1CCC[N@H+]1C	REAL300002332438	0	46	0.0	-85.22	351.11	9.42	-75.80
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CCC1CCC[N@@H+]1C	REAL300002332438	1	46	0.0	-79.56	344.53	8.91	-70.65
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C12CCC[NH+](CCC1)C2	REAL300002332450	0	47	0.0	-80.45	340.93	9.10	-71.35
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1(C)CC(O)C[N@H+]1C	REAL300002332454	1	44	0.0	-89.12	331.60	5.03	-84.09
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300002332454	1	44	0.0	-89.17	334.14	5.15	-84.02
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300002332455	0	47	0.0	-73.65	353.83	9.92	-63.73
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC2CCCC[N@H+]21	REAL300002332455	1	47	0.0	-75.41	343.75	9.37	-66.04
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C(C)(C)C[NH+]1CCOCC1	REAL300002332463	0	50	0.0	-75.71	363.01	7.91	-67.80
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300002332468	0	59	0.0	-89.98	445.00	10.96	-79.02
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300002332468	1	59	0.0	-89.51	434.10	10.35	-79.16
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1	REAL300002332469	0	53	0.0	-97.47	400.31	9.28	-88.19
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1	REAL300002332469	1	53	0.0	-95.27	406.40	9.67	-85.60
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300002332474	0	55	0.0	-89.61	419.37	9.77	-79.84
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300002332475	0	55	0.0	-91.48	419.53	9.77	-81.71
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300002332475	1	55	0.0	-94.71	418.82	9.66	-85.05
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)C=C1	REAL300002332476	0	56	0.0	-90.77	425.71	11.47	-79.30
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C(C)C)CC1	REAL300002332484	0	49	0.0	-85.68	365.50	9.81	-75.87
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C12CC[N@H+](C1)CCC2	REAL300002332568	0	44	0.0	-84.94	327.85	8.13	-76.81
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300002332568	1	44	0.0	-82.17	324.54	8.08	-74.09
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002332617	0	57	0.0	-96.71	433.77	9.54	-87.17
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C[NH+]1C(C)CCC1C	REAL300002332623	0	46	0.0	-74.70	339.79	8.88	-65.82
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300002332624	0	46	0.0	-83.40	360.79	10.35	-73.05
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002332625	0	53	0.0	-77.89	401.51	12.36	-65.53
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002332625	1	53	0.0	-75.15	397.74	12.24	-62.91
C#CC[NH+]1CCC(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)CC1	REAL300002332693	0	45	0.0	-88.61	355.86	9.77	-78.84
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(C(=O)[O-])=C(C)C=C1C	REAL300002332695	0	49	0.0	-75.32	354.89	9.71	-65.61
CCC[N@H+]1CCCCC1C(=O)NC1=CC(C(=O)[O-])=C(C)C=C1C	REAL300002332695	1	49	0.0	-74.59	363.76	9.87	-64.72
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300002332696	0	46	0.0	-61.78	353.38	10.59	-51.19
CC[NH+]1CCN(CCC(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)CC1	REAL300002332698	0	51	0.0	-85.77	380.03	7.38	-78.39
CCN1CC[NH+](CCC(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)CC1	REAL300002332698	1	51	0.0	-83.28	384.94	7.62	-75.66
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C(C(C)C)[NH+]1CCCCC1	REAL300002332700	0	52	0.0	-75.74	373.07	10.90	-64.84
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300002332701	1	46	0.0	-75.42	358.42	10.41	-65.01
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300002332705	0	51	0.0	-76.30	397.40	8.36	-67.94
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002332705	1	51	0.0	-80.44	400.36	8.46	-71.98
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CCN1C=C[NH+]=C1C(C)C	REAL300002332711	1	47	0.0	-74.84	369.11	10.07	-64.77
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1	REAL300002332712	0	49	0.0	-64.36	387.91	10.72	-53.64
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300002332718	0	50	0.0	-82.07	362.26	10.15	-71.92
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300002332718	1	50	0.0	-81.96	363.92	10.23	-71.73
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C(C)[NH+]1CCCCCC1	REAL300002332749	0	49	0.0	-73.01	351.75	9.33	-63.68
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300002332786	1	51	0.0	-89.14	395.56	10.80	-78.34
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300002332786	1	51	0.0	-91.23	400.21	10.88	-80.35
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)O1	REAL300002332844	0	49	0.0	-90.84	381.92	9.85	-80.99
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+]1CCCC1	REAL300002332845	0	49	0.0	-82.71	373.92	10.18	-72.53
CC1=CC=C(N2CCC(C(=O)NC3=CC(C(=O)[O-])=C(C)C=C3C)CC2)[NH+]=C1	REAL300002332847	1	52	0.0	-83.15	396.39	9.94	-73.21
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300002332848	1	46	0.0	-81.47	359.25	10.47	-71.00
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300002332848	1	46	0.0	-81.74	359.30	10.47	-71.27
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300002332852	0	58	0.0	-95.09	428.54	10.75	-84.34
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300002332901	1	42	0.0	-88.09	341.79	7.90	-80.19
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300002332905	0	53	0.0	-86.33	409.43	12.08	-74.25
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300002332905	1	53	0.0	-88.70	407.94	11.99	-76.71
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1C(C)C	REAL300002332924	0	46	0.0	-80.29	339.90	9.04	-71.25
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1C(C)C	REAL300002332924	1	46	0.0	-80.52	339.01	8.97	-71.55
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002332931	0	54	0.0	-95.21	428.53	11.43	-83.78
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)COC1CC[NH+](C)CC1	REAL300002332950	0	47	0.0	-91.92	366.29	8.96	-82.96
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002332956	0	50	0.0	-91.43	388.83	10.52	-80.91
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300002332999	0	52	0.0	-90.45	400.40	10.16	-80.29
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300002332999	1	52	0.0	-82.59	396.30	10.20	-72.39
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)C1	REAL300002333152	0	49	0.0	-78.27	366.11	9.88	-68.39
CCC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)C1	REAL300002333152	1	49	0.0	-72.08	362.99	10.16	-61.92
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1CC(C)C	REAL300002333185	0	49	0.0	-79.89	366.09	9.66	-70.23
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1CC(C)C	REAL300002333185	1	49	0.0	-76.19	369.33	10.08	-66.11
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C[NH+]1CCC(CO)CC1	REAL300002333186	1	47	0.0	-78.71	357.53	6.10	-72.61
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300002333288	0	54	0.0	-95.95	414.48	12.42	-83.53
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300002333288	1	54	0.0	-94.03	415.53	12.48	-81.55
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300002333329	1	53	0.0	-74.66	408.35	12.12	-62.54
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300002333329	1	53	0.0	-78.58	412.09	12.20	-66.38
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300002333427	0	49	0.0	-79.36	365.02	9.75	-69.61
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](C(C)C)C1	REAL300002333427	1	49	0.0	-77.68	361.80	9.65	-68.03
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300002333428	0	43	0.0	-80.01	346.10	8.65	-71.36
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300002333428	1	43	0.0	-83.89	339.02	8.70	-75.19
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)N1	REAL300002333453	1	44	0.0	-74.77	352.82	8.15	-66.62
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300002333957	0	49	0.0	-85.18	383.24	11.18	-74.00
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300002333965	0	50	0.0	-92.68	390.51	10.13	-82.55
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002334066	0	56	0.0	-82.14	422.29	12.81	-69.33
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300002334068	1	54	0.0	-96.02	408.09	10.52	-85.50
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300002334068	1	54	0.0	-98.14	411.93	10.64	-87.50
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300002334115	0	49	0.0	-77.65	354.68	9.55	-68.10
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](CC(C)C)C1	REAL300002334182	0	52	0.0	-71.99	378.62	10.82	-61.17
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](CC(C)C)C1	REAL300002334182	1	52	0.0	-71.99	378.62	10.82	-61.17
CC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)C1	REAL300002334183	0	46	0.0	-69.93	338.36	9.33	-60.60
CC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2C)C1	REAL300002334183	1	46	0.0	-69.93	338.36	9.33	-60.60
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(CN(C)C)O1	REAL300002334189	0	43	0.0	-93.00	349.86	8.69	-84.31
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300002334189	1	43	0.0	-93.00	349.86	8.69	-84.31
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300002334195	0	52	0.0	-84.15	372.65	9.97	-74.18
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300002334195	1	52	0.0	-84.15	372.65	9.97	-74.18
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C12CC(C1)CN2C1CC1	REAL300002334198	0	45	0.0	-81.42	343.20	9.60	-71.82
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002334198	1	45	0.0	-84.55	343.02	9.93	-74.62
CC1=CC(C)=C(C(=O)[O-])C=C1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300002334198	1	45	0.0	-84.55	343.02	9.93	-74.62
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002335205	0	57	0.0	-79.88	439.54	12.93	-66.95
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300002335767	0	54	0.0	-66.98	420.49	12.07	-54.91
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300002335767	1	54	0.0	-71.81	419.30	12.04	-59.77
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300002336607	0	51	0.0	-75.70	387.87	10.56	-65.14
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CCC[N@@H+]1C1CC1	REAL300002336632	0	48	0.0	-67.93	374.70	9.92	-58.01
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CCC[N@H+]1C1CC1	REAL300002336632	1	48	0.0	-66.54	371.63	10.08	-56.46
CC1=[NH+]C=C2CCC(C(=O)N(C)CC3=CC=C(OCC(=O)[O-])C=C3)CN12	REAL300002336638	1	49	0.0	-67.75	388.42	10.48	-57.27
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300002336639	0	57	0.0	-69.13	444.42	12.99	-56.14
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CCCC[N@@H+]1C	REAL300002336719	0	47	0.0	-69.68	363.30	9.49	-60.19
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CCCC[N@H+]1C	REAL300002336719	1	47	0.0	-66.55	362.10	9.46	-57.09
CC(C(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300002336720	1	52	0.0	-70.28	391.31	7.57	-62.71
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)[C@@H]1CCCC[N@@H+]1C	REAL300002336760	0	47	0.0	-68.24	351.87	9.05	-59.19
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)[C@@H]1CCCC[N@H+]1C	REAL300002336760	1	47	0.0	-66.53	362.12	9.46	-57.07
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CC[NH+](C)CC1	REAL300002336847	0	47	0.0	-76.16	363.75	9.43	-66.73
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002336877	0	42	0.0	-78.91	358.90	11.33	-67.58
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300002336911	0	56	0.0	-67.11	398.09	10.69	-56.42
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300002336916	0	56	0.0	-74.05	421.54	11.58	-62.47
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300002336916	1	56	0.0	-74.72	421.54	11.60	-63.12
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CCC[N@@H+]1C	REAL300002336933	0	44	0.0	-68.57	341.36	8.46	-60.11
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CCC[N@H+]1C	REAL300002336933	1	44	0.0	-72.47	342.68	8.49	-63.98
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CC[NH+](C)CC1	REAL300002336989	0	47	0.0	-76.16	363.75	9.43	-66.73
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002336993	0	50	0.0	-76.70	409.71	10.24	-66.46
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300002337013	0	57	0.0	-70.57	418.07	12.37	-58.20
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CCCC[N@H+]1C1CCCC1	REAL300002337013	1	57	0.0	-66.07	419.45	11.76	-54.31
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002337014	0	58	0.0	-62.71	424.08	9.88	-52.83
CC1=[NH+]C=CN1CCCC(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300002337050	1	48	0.0	-69.56	394.12	10.90	-58.66
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)CCCC[NH+]1CCOCC1	REAL300002337051	1	54	0.0	-76.91	421.66	9.59	-67.32
CC[N@H+](CC1=CC=C(C(=O)N(C)CC2=CC=C(OCC(=O)[O-])C=C2)C=C1)C(C)C	REAL300002337054	0	59	0.0	-78.11	446.28	12.58	-65.53
CC[N@@H+](CC1=CC=C(C(=O)N(C)CC2=CC=C(OCC(=O)[O-])C=C2)C=C1)C(C)C	REAL300002337054	1	59	0.0	-78.70	438.39	12.30	-66.40
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)[C@H]1CCC[N@@H+]1C	REAL300002337057	0	44	0.0	-68.43	346.09	8.84	-59.59
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)[C@H]1CCC[N@H+]1C	REAL300002337057	1	44	0.0	-68.35	341.89	8.49	-59.86
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1([NH+](C)C)CC1	REAL300002337066	0	44	0.0	-76.88	344.15	8.63	-68.25
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002337112	0	54	0.0	-74.51	422.19	12.22	-62.29
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002337112	1	54	0.0	-73.86	426.17	12.34	-61.52
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002337113	0	55	0.0	-83.15	422.24	11.59	-71.56
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002337137	0	58	0.0	-73.99	419.95	9.91	-64.08
CCC(C(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1)[NH+](CC)CC	REAL300002337141	0	52	0.0	-66.44	383.84	10.02	-56.42
CC(C(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002337143	0	53	0.0	-70.17	416.13	11.93	-58.24
CC(C(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002337143	1	53	0.0	-73.42	417.02	11.89	-61.53
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300002337176	0	49	0.0	-78.72	395.61	9.16	-69.56
CCC[NH+](CCC)CCCC(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300002337182	0	58	0.0	-73.27	445.68	12.20	-61.07
CC[N@H+](C)C(C(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002337183	0	53	0.0	-70.94	413.41	11.88	-59.06
CC[N@@H+](C)C(C(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002337183	1	53	0.0	-65.35	408.85	11.84	-53.51
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1C[N@H+](C)CCO1	REAL300002337185	1	45	0.0	-66.07	350.07	8.09	-57.98
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1C[N@@H+](C)CCO1	REAL300002337185	1	45	0.0	-81.73	355.38	8.20	-73.53
CC[NH+](CC)C(C(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002337187	0	56	0.0	-66.87	413.56	12.05	-54.82
CC(C)C1=[NH+]C=CN1CC(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300002337196	1	48	0.0	-66.24	389.04	10.69	-55.55
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300002337201	1	50	0.0	-70.24	407.72	11.68	-58.56
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002337214	0	54	0.0	-81.39	424.75	12.25	-69.14
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002337221	0	57	0.0	-72.39	441.55	12.96	-59.43
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1(C[NH+](C)C)CC1	REAL300002337225	0	47	0.0	-77.62	370.19	9.53	-68.09
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)CCCC[NH+](C)C	REAL300002337234	0	49	0.0	-75.30	388.50	10.12	-65.18
CC(C)C(C(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1)[NH+](C)C	REAL300002337243	0	49	0.0	-68.62	368.02	9.72	-58.90
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300002337256	0	57	0.0	-67.95	428.48	12.61	-55.34
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300002337256	1	57	0.0	-67.07	440.61	13.10	-53.97
CC1=C(C(=O)N(C)CC2=CC=C(OCC(=O)[O-])C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002337258	1	48	0.0	-78.63	395.85	9.48	-69.15
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002337266	0	57	0.0	-81.53	441.50	12.96	-68.57
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002337279	1	50	0.0	-78.67	404.47	10.38	-68.29
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300002337280	0	53	0.0	-82.35	421.62	11.95	-70.40
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300002337291	1	46	0.0	-65.85	374.13	8.57	-57.28
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002337293	1	55	0.0	-86.80	432.38	11.77	-75.03
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002337293	1	55	0.0	-78.46	434.27	11.82	-66.64
CCC[N@H+](C)CC(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300002337302	0	46	0.0	-71.42	362.68	9.37	-62.05
CCC[N@@H+](C)CC(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300002337302	1	46	0.0	-71.43	362.62	9.36	-62.07
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C[N@H+](C)C1CCC1	REAL300002337324	0	47	0.0	-69.76	369.51	9.92	-59.84
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C[N@@H+](C)C1CCC1	REAL300002337324	1	47	0.0	-69.92	369.39	9.92	-60.00
CC(C(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1)[NH+]1CCSCC1	REAL300002337348	1	48	0.0	-73.54	373.82	9.63	-63.91
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300002337353	0	52	0.0	-71.64	392.90	10.49	-61.15
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300002337353	1	52	0.0	-70.57	393.01	10.44	-60.13
CN(CC1=CC=C(OCC(=O)[O-])C=C1)C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300002337355	0	53	0.0	-75.10	422.53	12.39	-62.71
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CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002342796	0	48	0.0	-78.43	364.62	6.65	-71.78
CC(C)N1CC[NH+](CCC(=O)NC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002342796	1	48	0.0	-81.62	361.45	6.48	-75.14
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002342797	0	51	0.0	-76.13	386.04	7.44	-68.69
CC(C)N1CC[NH+](CCCC(=O)NC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002342797	1	51	0.0	-81.07	382.45	7.24	-73.83
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300002342799	0	40	0.0	-85.68	333.51	6.97	-78.71
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300002342803	0	52	0.0	-86.06	403.40	9.46	-76.60
O=C([O-])C1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C1	REAL300002342805	0	49	0.0	-86.26	382.00	8.80	-77.46
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C=C1	REAL300002342809	0	46	0.0	-79.08	358.75	8.98	-70.10
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C=C1	REAL300002342809	1	46	0.0	-79.10	358.69	8.98	-70.12
CC(C(=O)NC1=CC=C(C(=O)[O-])C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002342813	1	44	0.0	-79.21	347.57	9.86	-69.35
CC(C(=O)NC1=CC=C(C(=O)[O-])C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002342813	1	44	0.0	-79.20	346.58	9.90	-69.30
O=C([O-])C1=CC=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300002342839	0	47	0.0	-85.36	374.71	10.65	-74.71
O=C([O-])C1=CC=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300002342839	1	47	0.0	-85.37	374.85	10.69	-74.68
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300002342850	0	40	0.0	-89.70	333.87	6.98	-82.72
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300002342851	0	40	0.0	-70.16	328.58	6.95	-63.21
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300002342856	1	41	0.0	-73.89	335.24	8.68	-65.21
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=NN1	REAL300002342859	1	41	0.0	-84.13	334.70	6.54	-77.59
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=NN1	REAL300002342859	1	41	0.0	-84.14	335.41	6.52	-77.62
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C=C1	REAL300002342869	0	47	0.0	-83.12	377.06	10.70	-72.42
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C=C1	REAL300002342869	1	47	0.0	-78.51	370.22	10.90	-67.61
O=C([O-])C1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C=C1	REAL300002342872	0	48	0.0	-86.00	379.76	8.21	-77.79
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002342909	1	47	0.0	-86.41	371.31	9.01	-77.40
O=C([O-])C1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C1	REAL300002342910	0	47	0.0	-78.42	354.79	9.40	-69.02
O=C([O-])C1=CC=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C=C1	REAL300002342910	1	47	0.0	-80.87	354.49	9.32	-71.55
O=C([O-])C1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C=C1	REAL300002342926	0	52	0.0	-88.29	402.95	9.45	-78.84
O=C([O-])C1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C=C1	REAL300002342926	1	52	0.0	-87.43	402.37	9.41	-78.02
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300002342932	0	44	0.0	-76.76	329.89	6.52	-70.24
CC(C)[N@@H+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(C2=CN(C)N=C2)C1	REAL300002342935	0	53	0.0	-87.12	407.84	9.45	-77.67
CC(C)[N@H+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(C2=CN(C)N=C2)C1	REAL300002342935	1	53	0.0	-82.82	392.76	8.69	-74.13
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300002342936	0	47	0.0	-90.67	365.97	7.84	-82.83
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300002342936	1	47	0.0	-90.59	372.77	8.29	-82.30
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=C2)CC1	REAL300002342942	0	49	0.0	-76.58	385.96	8.37	-68.21
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)C=C2)CC1	REAL300002342943	0	49	0.0	-84.25	385.95	8.38	-75.87
CN1CC[NH+](CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)C=C2)CC1	REAL300002342943	1	49	0.0	-87.23	385.16	8.26	-78.97
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300002342944	0	50	0.0	-83.79	388.21	9.82	-73.97
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C=C1	REAL300002343029	0	51	0.0	-88.80	400.27	8.12	-80.68
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300002343032	0	47	0.0	-79.12	370.70	10.66	-68.46
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300002343032	1	47	0.0	-78.99	370.14	10.65	-68.34
CC[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002343083	0	45	0.0	-79.89	347.38	6.10	-73.79
CCN1CC[NH+](CCC(=O)NC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002343083	1	45	0.0	-81.67	347.80	6.11	-75.56
CC(C)C(C(=O)NC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCCCC1	REAL300002343086	0	46	0.0	-72.81	334.55	9.43	-63.38
O=C([O-])C1=CC=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300002343090	0	45	0.0	-77.75	362.56	6.88	-70.87
O=C([O-])C1=CC=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300002343090	1	45	0.0	-77.66	362.43	6.87	-70.79
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300002343094	1	41	0.0	-73.23	334.60	8.61	-64.62
C[NH+](C)CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)OC2=CC=CC=C21	REAL300002343095	0	43	0.0	-69.42	348.42	9.29	-60.13
CC[NH+](CC)C(C(=O)NC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300002343097	1	49	0.0	-79.07	386.80	10.74	-68.33
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1	REAL300002343100	0	44	0.0	-78.98	325.40	8.57	-70.41
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1	REAL300002343100	1	44	0.0	-75.93	334.34	8.90	-67.03
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=CC=C1N2	REAL300002343146	1	45	0.0	-84.25	362.13	9.38	-74.87
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(C(=O)[O-])C=C3)=CC=C1N2	REAL300002343146	1	45	0.0	-84.04	362.34	9.35	-74.69
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)O1	REAL300002343198	0	43	0.0	-82.82	344.95	8.37	-74.45
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(C(=O)[O-])C=C3)CC2)[NH+]=C1	REAL300002343199	1	46	0.0	-77.66	363.10	8.54	-69.12
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)C=C2)CC1	REAL300002343202	0	52	0.0	-84.75	395.36	9.33	-75.42
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300002343243	0	47	0.0	-83.32	371.32	10.52	-72.80
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C(=O)[O-])C=C1	REAL300002343243	1	47	0.0	-83.22	370.51	10.34	-72.88
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300002343261	0	48	0.0	-85.06	391.65	9.92	-75.14
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1	REAL300002343278	0	44	0.0	-83.57	355.32	9.16	-74.41
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2)[C@@H](C(F)(F)F)C1	REAL300002343308	0	46	0.0	-83.88	362.96	8.68	-75.20
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2)[C@@H](C(F)(F)F)C1	REAL300002343308	1	46	0.0	-78.69	361.77	8.78	-69.91
O=C([O-])C1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C1	REAL300002343526	0	48	0.0	-86.15	377.96	10.92	-75.23
O=C([O-])C1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C1	REAL300002343526	1	48	0.0	-88.86	380.29	10.91	-77.95
O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C=C1	REAL300002343557	1	47	0.0	-82.57	373.80	10.71	-71.86
O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C=C1	REAL300002343557	1	47	0.0	-76.92	374.04	10.67	-66.25
C[N@@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300002343635	0	37	0.0	-88.29	312.91	7.22	-81.07
C[N@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300002343635	1	37	0.0	-87.58	301.09	7.24	-80.34
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300002344028	0	43	0.0	-81.34	349.83	9.78	-71.56
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300002344032	0	44	0.0	-85.62	356.83	8.76	-76.86
O=C([O-])C1=CC=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300002344101	0	50	0.0	-81.07	388.92	11.39	-69.68
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)C=C2)CCO1	REAL300002344103	1	48	0.0	-88.52	374.71	9.12	-79.40
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)C=C2)CCO1	REAL300002344103	1	48	0.0	-88.60	374.75	9.12	-79.48
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002344174	0	46	0.0	-77.54	349.91	9.19	-68.35
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002344174	1	46	0.0	-77.54	349.91	9.19	-68.35
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002344179	0	46	0.0	-81.08	339.33	8.59	-72.49
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002344179	1	46	0.0	-81.08	339.33	8.59	-72.49
CC(C)CCCCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002344225	0	54	0.0	-47.43	403.35	9.58	-37.85
COC1=CC=CC=C1CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002344321	0	47	0.0	-46.82	356.42	10.01	-36.81
COC1=CC=CC=C1CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002344321	1	47	0.0	-46.82	356.42	10.01	-36.81
COC1=CC(C)=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300002344442	0	54	0.0	-52.54	402.17	8.90	-43.64
COC1=CC(C)=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300002344442	1	54	0.0	-52.54	402.17	8.90	-43.64
O=C([O-])C1CCC[N@H+](CC(=O)NCCCOC2=CC=CC=C2)C1	REAL300002344557	0	47	0.0	-50.11	367.53	7.76	-42.35
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC=C3)CCC2)C1	REAL300002344640	0	47	0.0	-49.24	347.72	9.30	-39.94
O=C([O-])C1CCC[N@H+](CC(=O)N2CC=C(C3=CC=C(Cl)C=C3)CC2)C1	REAL300002344752	0	48	0.0	-49.16	384.98	11.60	-37.56
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC=C(C3=CC=C(Cl)C=C3)CC2)C1	REAL300002344752	1	48	0.0	-49.16	384.98	11.60	-37.56
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C3=CC=CS3)=C2)C1	REAL300002344925	0	44	0.0	-51.42	357.33	9.93	-41.49
CCCOC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002345142	0	50	0.0	-47.99	383.35	8.43	-39.56
CCCOC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002345142	1	50	0.0	-46.48	381.44	7.98	-38.50
CC1=CC(C)=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300002345246	0	49	0.0	-46.42	366.53	9.10	-37.32
CC1=CC(C)=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300002345246	1	49	0.0	-47.95	372.74	9.13	-38.82
CC1=CC=CC(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002345321	0	46	0.0	-48.43	349.05	10.14	-38.29
CC1=CC=CC(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002345321	1	46	0.0	-47.64	355.82	10.18	-37.46
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002345411	1	50	0.0	-57.44	381.01	8.06	-49.38
CC1=CC=C(C(=O)N(C)C)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002345411	1	50	0.0	-63.39	376.56	8.04	-55.35
CCN(CC1=CC=CC=C1C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002345541	0	49	0.0	-47.19	368.68	11.55	-35.64
CCN(CC1=CC=CC=C1C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002345541	1	49	0.0	-43.96	355.21	10.88	-33.08
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=C([N+](=O)[O-])C=C2)C2CC2)C1	REAL300002345652	0	49	0.0	-59.72	383.62	11.59	-48.13
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=C([N+](=O)[O-])C=C2)C2CC2)C1	REAL300002345652	1	49	0.0	-53.03	382.39	11.37	-41.66
COCCOC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002345768	0	48	0.0	-53.35	374.93	6.80	-46.55
COCCOC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002345768	1	48	0.0	-50.88	369.46	6.82	-44.06
CC(=O)NC1=CC=C(C)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002345892	0	47	0.0	-56.59	363.82	7.04	-49.55
CC(=O)NC1=CC=C(C)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002345892	1	47	0.0	-54.83	357.80	7.07	-47.76
CCC(C)C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002346945	0	52	0.0	-74.92	387.88	10.05	-64.87
CCC(C)C(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300002348177	1	51	0.0	-75.13	399.94	8.07	-67.06
CCC(C)C(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002348221	0	55	0.0	-79.17	425.48	9.82	-69.35
CCC(C)C(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002348226	0	55	0.0	-77.96	424.40	12.17	-65.79
CCC(C)C(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002348226	1	55	0.0	-79.15	422.53	11.94	-67.21
CCC(C)C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002348335	0	45	0.0	-78.14	355.52	7.56	-70.58
CCC(C)C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002348353	0	53	0.0	-76.87	383.13	7.35	-69.52
CCC(C)C(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300002348372	1	49	0.0	-74.67	365.93	6.44	-68.23
CCC(C)C(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002348373	0	54	0.0	-79.86	384.57	9.55	-70.31
CCC(C)C(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002348373	1	54	0.0	-78.44	398.10	10.19	-68.25
CCC(C)C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002348388	0	49	0.0	-67.05	370.28	9.25	-57.80
CCC(C)C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002348388	1	49	0.0	-65.15	372.22	9.46	-55.69
CCC(C)C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002348389	0	50	0.0	-73.77	366.90	8.51	-65.26
CCC(C)C(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002348410	0	53	0.0	-67.89	368.72	6.99	-60.90
CCC(C)C(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002348413	0	48	0.0	-58.67	366.39	9.06	-49.61
CCC(C)C(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002348413	1	48	0.0	-55.69	363.40	9.05	-46.64
CCC(C)C(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002348420	0	55	0.0	-57.69	404.46	11.13	-46.56
CCC(C)C(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002348420	1	55	0.0	-71.76	415.07	11.13	-60.63
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C(C)CC	REAL300002348440	0	53	0.0	-67.42	387.63	9.03	-58.39
CCC(C)C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002348455	0	49	0.0	-81.41	373.49	9.66	-71.75
CCC(C)C(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002348460	0	52	0.0	-72.64	389.25	10.46	-62.18
CCC(C)C(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300002348466	0	60	0.0	-71.25	421.95	7.81	-63.44
CCC(C)C(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300002348472	1	56	0.0	-84.74	420.07	9.25	-75.49
CCC(C)C(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002348482	1	53	0.0	-78.59	398.95	9.56	-69.03
CCC(C)C(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002348482	1	53	0.0	-78.21	400.69	9.44	-68.77
CCC(C)C(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002348496	1	43	0.0	-79.95	342.12	6.80	-73.15
CCC(C)C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002348499	0	52	0.0	-83.31	386.48	10.18	-73.13
CCC(C)C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300002348509	1	45	0.0	-78.32	350.49	6.97	-71.35
CCC(C)C(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002348510	0	48	0.0	-84.82	369.27	9.40	-75.42
CCC(C)C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002348513	1	50	0.0	-78.59	385.49	9.11	-69.48
CCC(C)C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002348513	1	50	0.0	-72.88	376.56	8.97	-63.91
CCC(C)C(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002348521	0	58	0.0	-59.30	424.26	11.43	-47.87
CCC(C)C(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002348546	0	48	0.0	-62.53	370.55	9.52	-53.01
CCC(C)C(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002348546	1	48	0.0	-62.51	370.54	9.52	-52.99
CCC(C)C(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300002348547	0	52	0.0	-68.88	395.27	5.50	-63.38
CCC(C)C(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300002348547	1	52	0.0	-64.85	394.50	5.52	-59.33
CCC(C)C(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002348553	0	57	0.0	-73.52	425.71	9.23	-64.29
CCC(C)C(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002348579	0	53	0.0	-71.15	381.71	6.08	-65.07
CCC(C)C(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002348579	1	53	0.0	-63.80	381.21	6.08	-57.72
CCC(C)C(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002348580	0	56	0.0	-71.68	408.26	7.06	-64.62
CCC(C)C(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002348580	1	56	0.0	-69.99	404.57	6.84	-63.15
CCC(C)C(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300002348584	0	57	0.0	-69.45	425.61	9.09	-60.36
CCC(C)C(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002348585	0	54	0.0	-69.77	404.21	8.42	-61.35
CCC(C)C(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002348588	0	51	0.0	-67.24	376.89	8.50	-58.74
CCC(C)C(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002348588	1	51	0.0	-64.98	384.60	8.41	-56.57
CCC(C)C(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002348592	1	49	0.0	-60.50	366.44	9.64	-50.86
CCC(C)C(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002348592	1	49	0.0	-57.62	366.87	9.59	-48.03
CCC(C)C(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002348609	0	52	0.0	-73.38	392.70	10.08	-63.30
CCC(C)C(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002348609	1	52	0.0	-73.86	393.13	10.09	-63.77
CCC(C)C(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002348626	0	52	0.0	-67.05	388.37	10.33	-56.72
CCC(C)C(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002348626	1	52	0.0	-62.45	392.65	10.55	-51.90
CCC(C)C(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002348628	0	53	0.0	-68.24	400.07	7.86	-60.38
CCC(C)C(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002348650	1	52	0.0	-79.29	388.95	8.52	-70.77
CCC(C)C(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002348651	0	52	0.0	-65.46	372.93	8.82	-56.64
CCC(C)C(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002348651	1	52	0.0	-65.49	372.29	8.89	-56.60
CCC(C)C(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300002348669	0	54	0.0	-75.13	402.84	7.77	-67.36
CCC(C)C(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002348670	0	54	0.0	-77.76	404.52	7.80	-69.96
CCC(C)C(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300002348670	1	54	0.0	-80.80	404.86	7.86	-72.94
CCC(C)C(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300002348671	0	55	0.0	-78.55	407.95	9.44	-69.11
CCC(C)C(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002348724	0	56	0.0	-83.75	420.01	7.73	-76.02
CCC(C)C(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002348726	0	52	0.0	-59.42	380.54	10.28	-49.14
CCC(C)C(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002348726	1	52	0.0	-65.81	388.17	10.05	-55.76
CCC(C)C(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002348806	1	50	0.0	-82.48	380.61	8.77	-73.71
CCC(C)C(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002348806	1	50	0.0	-81.52	379.16	8.76	-72.76
CCC(C)C(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300002348844	0	48	0.0	-75.62	367.23	8.00	-67.62
CCC(C)C(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300002348846	1	51	0.0	-71.00	385.44	8.16	-62.84
CCC(C)C(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300002348849	0	57	0.0	-81.98	412.53	8.78	-73.20
CCC(C)C(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002348856	1	40	0.0	-77.87	325.66	6.36	-71.51
CCC(C)C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002348880	0	52	0.0	-74.55	389.64	9.84	-64.71
CCC(C)C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002348880	1	52	0.0	-69.64	389.74	9.83	-59.81
CCC(C)C(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002348895	0	53	0.0	-82.81	408.84	9.39	-73.42
CCC(C)C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002348907	0	49	0.0	-76.29	376.49	8.68	-67.61
CCC(C)C(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002349151	0	42	0.0	-68.50	323.71	6.59	-61.91
CCC(C)C(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002349151	1	42	0.0	-57.16	329.59	6.65	-50.51
CCC(C)C(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300002349438	0	48	0.0	-78.24	370.19	9.44	-68.80
CCC(C)C(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002349441	0	49	0.0	-82.54	379.34	8.37	-74.17
CCC(C)C(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002349501	0	55	0.0	-69.03	406.07	10.85	-58.18
CCC(C)C(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002349503	1	53	0.0	-82.92	391.52	8.52	-74.40
CCC(C)C(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002349503	1	53	0.0	-85.23	396.96	8.74	-76.49
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC3=CC=CC=C3C2)C1	REAL300002349587	0	44	0.0	-46.95	331.59	8.24	-38.71
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CC3=CC=CC=C3C2)C1	REAL300002349587	1	44	0.0	-49.89	339.76	8.70	-41.19
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002350615	0	54	0.0	-87.52	406.65	14.00	-73.52
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300002351896	0	48	0.0	-81.43	356.62	11.74	-69.69
CC1=[NH+]C=C2CCC(C(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])CN12	REAL300002351922	1	46	0.0	-71.98	350.95	11.39	-60.59
CC1=NC(C[NH+]2CCC(C(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])CC2)=CS1	REAL300002351985	1	53	0.0	-82.12	410.88	11.93	-70.19
CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])N1CC[NH+](C)CC1	REAL300002351986	1	49	0.0	-76.31	356.41	8.27	-68.04
C[N@@H+]1CCCC[C@H]1C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352019	0	44	0.0	-62.63	326.21	10.37	-52.26
C[N@H+]1CCCC[C@H]1C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352019	1	44	0.0	-70.00	317.48	9.73	-60.27
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300002352057	0	57	0.0	-90.08	439.88	13.78	-76.30
C[NH+]1CCC(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300002352090	0	44	0.0	-84.61	330.16	10.43	-74.18
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002352114	0	39	0.0	-80.88	320.60	12.37	-68.51
C[NH+](C)CC1(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CCCCC1	REAL300002352143	0	53	0.0	-71.97	350.96	11.00	-60.97
C[N@H+](CCC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CCCCC1	REAL300002352147	0	53	0.0	-77.01	384.27	12.65	-64.36
C[N@@H+](CCC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CCCCC1	REAL300002352147	1	53	0.0	-76.93	384.22	12.62	-64.31
C[NH+]1CCC(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300002352203	0	44	0.0	-84.61	330.16	10.43	-74.18
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002352206	0	47	0.0	-83.48	380.65	11.36	-72.12
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002352221	0	55	0.0	-90.34	398.15	11.18	-79.16
CC1=[NH+]C=CN1CCCC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352250	1	45	0.0	-77.01	356.83	11.96	-65.05
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)CCCC[NH+]1CCOCC1	REAL300002352251	1	51	0.0	-84.75	383.69	10.50	-74.25
CC[N@H+](CC1=CC=C(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1)C(C)C	REAL300002352253	0	56	0.0	-93.40	408.91	13.59	-79.81
CC[N@@H+](CC1=CC=C(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1)C(C)C	REAL300002352253	1	56	0.0	-80.61	409.70	13.42	-67.19
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002352284	0	51	0.0	-75.59	388.34	13.34	-62.25
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002352284	1	51	0.0	-75.20	389.35	13.25	-61.95
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002352285	0	52	0.0	-88.35	380.78	12.26	-76.09
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002352312	0	55	0.0	-76.85	382.28	10.47	-66.38
CCC(C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[NH+](CC)CC	REAL300002352316	0	49	0.0	-60.47	347.22	10.87	-49.60
CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002352318	0	50	0.0	-68.08	377.65	12.72	-55.36
CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002352318	1	50	0.0	-67.92	374.72	12.65	-55.27
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CCC[NH+](CCC)CCCC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352346	0	55	0.0	-78.01	403.27	12.71	-65.30
C[N@@H+]1CCOC(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300002352348	1	42	0.0	-75.87	311.47	8.50	-67.37
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CC(C)C1=[NH+]C=CN1CC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352355	1	45	0.0	-64.99	351.61	11.68	-53.31
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CCN1CCC([NH+]2CCC(C(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])CC2)CC1	REAL300002352381	0	62	0.0	-84.27	437.61	11.63	-72.64
C[NH+](C)CC1(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300002352383	0	44	0.0	-72.82	335.26	10.62	-62.20
C[NH+](C)CCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352392	0	46	0.0	-83.79	350.78	11.03	-72.76
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CC1=C(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002352413	1	45	0.0	-89.05	363.75	10.74	-78.31
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002352416	0	54	0.0	-92.86	410.07	14.16	-78.70
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002352428	1	47	0.0	-84.14	365.25	11.15	-72.99
C[NH+](C)CCC1=CC=C(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300002352429	0	50	0.0	-88.09	391.49	13.02	-75.07
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352435	1	43	0.0	-65.67	336.51	9.23	-56.44
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002352436	1	52	0.0	-72.67	388.97	12.07	-60.60
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002352436	1	52	0.0	-87.61	396.32	12.26	-75.35
C[N@H+](CC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CCC1	REAL300002352455	0	44	0.0	-64.87	331.96	10.87	-54.00
C[N@@H+](CC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CCC1	REAL300002352455	1	44	0.0	-64.84	332.17	10.87	-53.97
CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[NH+]1CCSCC1	REAL300002352478	1	45	0.0	-60.77	341.36	10.36	-50.41
C[N@H+](CC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])CC(C)(C)C	REAL300002352484	0	49	0.0	-66.83	353.17	11.14	-55.69
C[N@@H+](CC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])CC(C)(C)C	REAL300002352484	1	49	0.0	-66.41	356.15	11.37	-55.04
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352486	0	50	0.0	-68.88	384.56	13.17	-55.71
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352486	1	50	0.0	-69.00	384.56	13.18	-55.82
COCCOCC[N@H+](C)CCC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352487	0	54	0.0	-75.80	413.98	9.65	-66.15
COCCOCC[N@@H+](C)CCC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352487	1	54	0.0	-77.81	414.04	9.70	-68.11
C[N@@H+]1CCCC(O)(CC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300002352490	0	48	0.0	-76.16	353.02	8.76	-67.40
C[N@H+]1CCCC(O)(CC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300002352490	1	48	0.0	-77.05	343.49	8.64	-68.41
CCCCCC[N@H+](C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352501	0	52	0.0	-68.71	389.60	12.64	-56.07
CCCCCC[N@@H+](C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352501	1	52	0.0	-68.78	389.59	12.63	-56.15
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C[N@H+](CC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CCSC1	REAL300002352529	0	45	0.0	-69.82	344.77	10.98	-58.84
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CC(C)[NH+]1CCN(CCC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300002352543	0	55	0.0	-82.40	401.21	10.24	-72.16
CC(C)N1CC[NH+](CCC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300002352543	1	55	0.0	-75.55	400.56	10.18	-65.37
CC(C)[NH+]1CCN(CCCC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300002352544	0	58	0.0	-79.29	417.16	10.50	-68.79
CC(C)N1CC[NH+](CCCC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300002352544	1	58	0.0	-78.89	418.59	10.66	-68.23
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300002352545	0	48	0.0	-68.28	339.02	10.84	-57.44
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C[NH+](C)CCN1C=C(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=N1	REAL300002352547	0	47	0.0	-88.18	370.78	10.43	-77.75
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002352551	0	56	0.0	-78.94	418.62	12.38	-66.56
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002352553	0	53	0.0	-77.65	400.63	12.13	-65.52
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002352553	1	53	0.0	-67.88	391.30	12.00	-55.88
CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002352558	1	51	0.0	-65.27	375.40	12.75	-52.52
CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002352558	1	51	0.0	-65.94	380.59	13.09	-52.85
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002352577	0	54	0.0	-83.08	408.07	14.01	-69.07
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002352577	1	54	0.0	-84.12	411.02	14.10	-70.02
C[NH+](C)CCN1C=CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=N1	REAL300002352590	0	47	0.0	-104.95	366.58	10.59	-94.36
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352591	0	47	0.0	-60.03	361.45	9.84	-50.19
C[C@@H]1[C@H](C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC[N@@H+]1C	REAL300002352593	0	44	0.0	-73.54	321.44	9.34	-64.20
C[C@@H]1[C@H](C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC[N@H+]1C	REAL300002352593	1	44	0.0	-78.20	324.59	10.38	-67.82
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CC[C@@H]1[C@@H](C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC[N@@H+]1C	REAL300002352597	0	47	0.0	-79.11	338.52	10.22	-68.89
CC[C@@H]1[C@@H](C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC[N@H+]1C	REAL300002352597	1	47	0.0	-74.36	343.65	11.01	-63.35
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=NN1	REAL300002352600	1	48	0.0	-91.76	368.40	10.37	-81.39
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=NN1	REAL300002352600	1	48	0.0	-90.01	368.15	10.14	-79.87
CC1C[N@H+](C)CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])O1	REAL300002352607	1	45	0.0	-91.78	340.72	9.42	-82.36
CC1C[N@@H+](C)CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])O1	REAL300002352607	1	45	0.0	-88.90	341.12	9.15	-79.75
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002352611	0	54	0.0	-73.03	403.63	14.02	-59.01
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002352611	1	54	0.0	-64.64	403.27	13.93	-50.71
CC(C[NH+]1CCOCC1)C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352616	0	48	0.0	-61.43	356.99	9.05	-52.38
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002352617	0	55	0.0	-77.64	416.37	11.80	-65.84
CC1CC[NH+](CC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300002352629	0	47	0.0	-68.69	348.39	11.33	-57.36
CC[N@@H+]1CCOC(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300002352642	1	45	0.0	-67.70	329.64	9.04	-58.66
CC[N@H+]1CCOC(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C1	REAL300002352642	1	45	0.0	-87.73	337.33	9.32	-78.41
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002352674	0	54	0.0	-76.46	391.10	12.72	-63.74
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002352674	1	54	0.0	-73.97	387.43	12.59	-61.38
C[N@@H+]1CCCC1CCC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352681	0	47	0.0	-76.45	347.43	10.94	-65.51
C[N@H+]1CCCC1CCC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352681	1	47	0.0	-76.30	346.80	10.78	-65.52
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C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])=C2)CC1	REAL300002352705	0	56	0.0	-93.59	427.35	11.77	-81.82
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C=C2)CC1	REAL300002352706	0	56	0.0	-94.51	425.47	11.71	-82.80
CN1CC[NH+](CC2=CC=C(C(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])C=C2)CC1	REAL300002352706	1	56	0.0	-84.48	427.08	11.49	-72.99
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])C=C1	REAL300002352708	0	57	0.0	-94.92	428.93	13.29	-81.63
CC(C)[NH+]1CCC(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300002352716	0	50	0.0	-80.26	360.83	11.38	-68.88
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C12CC[NH+](CC1)C2	REAL300002352782	0	42	0.0	-82.27	309.42	9.11	-73.16
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C12CC[N@H+](C1)CCC2	REAL300002352790	0	45	0.0	-76.98	320.29	9.64	-67.34
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300002352790	1	45	0.0	-91.79	317.25	9.66	-82.13
CC1CCC(C)[NH+]1CC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352830	0	47	0.0	-62.16	338.85	10.58	-51.58
C[NH+](C)CC1=CC=CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])=C1	REAL300002352831	0	47	0.0	-86.69	368.70	12.34	-74.35
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002352832	0	54	0.0	-67.63	396.38	13.83	-53.80
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002352832	1	54	0.0	-68.03	395.91	13.86	-54.17
C#CC[NH+]1CCC(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300002352885	0	46	0.0	-85.59	355.33	11.62	-73.97
CC[NH+]1CCN(CCC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300002352887	0	52	0.0	-84.08	384.47	9.73	-74.35
CCN1CC[NH+](CCC(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])CC1	REAL300002352887	1	52	0.0	-75.54	383.91	9.65	-65.89
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]	REAL300002352894	1	48	0.0	-70.09	371.22	12.19	-57.90
CC[N@H+](CC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CC1	REAL300002352900	0	44	0.0	-63.44	334.47	10.68	-52.76
CC[N@@H+](CC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])C1CC1	REAL300002352900	1	44	0.0	-65.52	331.47	10.81	-54.71
CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-])[NH+]1CCCCCC1	REAL300002352926	0	50	0.0	-63.33	354.05	11.23	-52.10
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])=CC=C1N2	REAL300002352961	1	52	0.0	-93.61	403.55	12.69	-80.92
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])=CC=C1N2	REAL300002352961	1	52	0.0	-94.15	403.60	12.74	-81.41
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-])O1	REAL300002353002	0	50	0.0	-90.45	377.69	11.66	-78.79
O=C([O-])C1CC2=CC=CC=C2CN1C(=O)CCCC[NH+]1CCCC1	REAL300002353003	0	50	0.0	-82.16	377.19	12.36	-69.80
CC1=CC=C(N2CCC(C(=O)N3CC4=CC=CC=C4CC3C(=O)[O-])CC2)[NH+]=C1	REAL300002353005	1	53	0.0	-84.39	395.85	11.80	-72.59
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CC(C(=O)NC1=CC=C2OC(C(=O)[O-])=CC2=C1)N1CC[NH+](C)CC1	REAL300002356996	1	45	0.0	-79.28	351.74	6.07	-73.21
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C2OC(C(=O)[O-])=CC2=C1	REAL300002357039	1	40	0.0	-77.79	320.42	7.84	-69.95
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CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C3OC(C(=O)[O-])=CC3=C2)C=C1)C(C)C	REAL300002357331	1	52	0.0	-85.25	396.59	10.90	-74.35
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COC1=CC=CC(C2(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCCC2)=C1	REAL300002371803	1	57	0.0	-47.58	419.18	10.33	-37.25
CC(C)(C)C1=CC=CC=C1OCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002371931	0	56	0.0	-48.45	417.13	9.71	-38.74
CC(C)(C)C1=CC=CC=C1OCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002371931	1	56	0.0	-48.85	417.77	9.73	-39.12
CCCCN(CCOC)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002372010	0	49	0.0	-45.61	368.56	8.49	-37.12
CCCCN(CCOC)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002372010	1	49	0.0	-46.69	363.84	8.06	-38.63
CC1=CC2=C(C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OCO2	REAL300002372122	1	43	0.0	-51.74	327.52	6.38	-45.36
CC1=CC2=C(C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OCO2	REAL300002372122	1	43	0.0	-56.11	328.35	6.80	-49.31
COC1=CC=CC(Cl)=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002372264	0	44	0.0	-47.62	352.72	7.16	-40.46
COC1=CC=CC(Cl)=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002372264	1	44	0.0	-44.36	350.80	6.72	-37.64
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CC3=CC=C(F)C=C3)C2)C1	REAL300002372403	0	50	0.0	-46.29	380.24	10.69	-35.60
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CC3=CC=C(F)C=C3)C2)C1	REAL300002372403	1	50	0.0	-48.75	381.38	11.12	-37.63
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC(F)=CC=C3C2)C1	REAL300002372519	0	44	0.0	-52.04	339.49	9.71	-42.33
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC(F)=CC=C3C2)C1	REAL300002372519	1	44	0.0	-50.94	339.56	9.70	-41.24
C=CCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002373779	0	47	0.0	-73.88	370.51	9.51	-64.37
C=CCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002374469	0	44	0.0	-59.98	354.53	9.08	-50.90
C=CCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002374469	1	44	0.0	-58.24	347.26	8.52	-49.72
C=CCC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300002375119	0	47	0.0	-63.66	373.49	9.49	-54.17
C=CCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300002375160	1	46	0.0	-73.67	378.24	7.33	-66.34
C=CCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002375201	0	50	0.0	-77.01	403.53	9.15	-67.86
C=CCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002375209	0	50	0.0	-78.04	403.77	11.44	-66.60
C=CCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002375209	1	50	0.0	-77.90	404.60	11.41	-66.49
C=CCC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002375210	0	50	0.0	-53.57	381.38	9.97	-43.60
C=CCC(NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002375245	0	47	0.0	-63.87	384.78	9.72	-54.15
C=CCC(NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002375245	1	47	0.0	-64.32	385.63	9.89	-54.43
C=CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002375279	1	47	0.0	-54.92	374.76	9.54	-45.38
C=CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002375279	1	47	0.0	-62.37	363.15	9.39	-52.98
C=CCC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002375280	1	44	0.0	-65.37	361.39	9.11	-56.26
C=CCC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002375280	1	44	0.0	-59.39	358.61	9.02	-50.37
C=CCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002375319	0	40	0.0	-78.39	338.89	6.98	-71.41
C=CCC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300002375324	0	50	0.0	-80.16	402.74	9.15	-71.01
C=CCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002375347	0	48	0.0	-76.43	361.18	6.67	-69.76
C=CCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002375362	0	49	0.0	-76.37	375.60	9.47	-66.90
C=CCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002375362	1	49	0.0	-79.79	368.03	9.17	-70.62
C=CCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002375381	0	44	0.0	-64.67	352.86	8.70	-55.97
C=CCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002375381	1	44	0.0	-65.26	352.89	8.71	-56.55
C=CCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002375382	0	45	0.0	-72.68	349.52	7.98	-64.70
C=CCC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300002375401	1	49	0.0	-63.92	383.14	7.64	-56.28
C=CCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002375402	0	48	0.0	-67.47	346.78	6.31	-61.16
C=CCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002375410	0	50	0.0	-57.22	387.09	10.59	-46.63
C=CCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002375410	1	50	0.0	-68.14	393.37	10.38	-57.76
C=CCC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300002375447	1	48	0.0	-57.46	376.81	6.31	-51.15
C=CCC(NC(=O)C(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300002375452	0	46	0.0	-61.02	348.41	8.68	-52.34
C=CCC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300002375453	1	40	0.0	-61.81	341.10	8.35	-53.46
C=CCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002375465	0	44	0.0	-80.08	351.82	8.90	-71.18
C=CCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002375470	0	47	0.0	-73.89	369.45	9.67	-64.22
C=CCC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300002375475	0	55	0.0	-69.43	404.33	7.34	-62.09
C=CCC(NC(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300002375477	0	57	0.0	-65.15	452.89	13.07	-52.08
C=CCC(NC(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300002375477	1	57	0.0	-71.87	451.93	12.78	-59.09
C=CCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300002375481	1	51	0.0	-83.66	401.89	8.74	-74.92
C=CCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002375491	1	48	0.0	-76.24	377.05	8.87	-67.37
C=CCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002375491	1	48	0.0	-77.59	383.80	8.92	-68.67
C=CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002375506	0	47	0.0	-59.00	368.14	9.56	-49.44
C=CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002375506	1	47	0.0	-58.76	356.73	9.32	-49.44
C=CCC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002375507	1	38	0.0	-78.28	325.25	6.28	-72.00
C=CCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002375514	0	47	0.0	-80.21	368.31	9.67	-70.54
C=CCC(NC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300002375524	0	57	0.0	-71.47	439.60	12.36	-59.11
C=CCC(NC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300002375524	1	57	0.0	-65.85	438.88	12.37	-53.48
C=CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002375529	1	45	0.0	-70.74	355.88	8.24	-62.50
C=CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002375529	1	45	0.0	-72.98	356.53	8.25	-64.73
C=CCC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300002375533	0	54	0.0	-64.72	413.89	11.17	-53.55
C=CCC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300002375533	1	54	0.0	-61.82	406.47	10.95	-50.87
C=CCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002375541	0	53	0.0	-55.81	402.32	10.75	-45.06
C=CCC(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300002375562	0	47	0.0	-64.36	377.59	5.01	-59.35
C=CCC(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300002375562	1	47	0.0	-64.32	377.09	4.99	-59.33
C=CCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002375571	0	52	0.0	-72.14	404.04	8.47	-63.67
C=CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300002375572	1	46	0.0	-53.91	362.59	7.77	-46.14
C=CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300002375572	1	46	0.0	-56.30	363.34	7.75	-48.55
C=CCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002375591	0	51	0.0	-69.32	385.76	6.35	-62.97
C=CCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002375591	1	51	0.0	-67.04	382.07	6.13	-60.91
C=CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300002375595	0	52	0.0	-67.04	403.11	8.37	-58.67
C=CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002375596	0	49	0.0	-66.79	381.71	7.70	-59.09
C=CCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002375599	0	46	0.0	-66.87	364.97	7.80	-59.07
C=CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002375599	1	46	0.0	-68.79	365.68	7.68	-61.11
C=CCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002375602	1	44	0.0	-57.44	343.94	8.92	-48.52
C=CCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002375602	1	44	0.0	-57.47	344.92	8.92	-48.55
C=CCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002375625	0	47	0.0	-71.82	372.08	9.50	-62.32
C=CCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002375625	1	47	0.0	-72.39	375.20	9.58	-62.81
C=CCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002375639	0	47	0.0	-65.48	370.19	9.84	-55.64
C=CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002375639	1	47	0.0	-68.35	376.98	9.65	-58.70
C=CCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300002375640	1	43	0.0	-57.82	343.49	6.89	-50.93
C=CCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300002375640	1	43	0.0	-56.08	343.13	6.71	-49.37
C=CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002375642	0	48	0.0	-67.43	380.27	7.07	-60.36
C=CCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002375661	1	47	0.0	-78.77	367.00	7.83	-70.94
C=CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002375674	0	52	0.0	-74.75	399.53	8.25	-66.50
C=CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002375674	1	52	0.0	-70.43	404.18	8.34	-62.09
C=CCC(NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002375676	0	53	0.0	-71.60	398.80	8.11	-63.49
C=CCC(NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002375676	1	53	0.0	-59.68	391.84	7.63	-52.05
C=CCC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002375677	0	47	0.0	-81.70	365.91	6.77	-74.93
C=CCC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002375677	1	47	0.0	-74.41	373.71	7.17	-67.24
C=CCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300002375680	0	49	0.0	-74.23	385.74	7.28	-66.95
C=CCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002375681	0	49	0.0	-78.30	385.63	7.06	-71.24
C=CCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300002375681	1	49	0.0	-80.89	385.14	7.16	-73.73
C=CCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300002375682	0	50	0.0	-78.53	388.24	8.73	-69.80
C=CCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002375716	0	51	0.0	-83.74	400.30	7.02	-76.72
C=CCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002375718	0	47	0.0	-63.03	370.61	9.58	-53.45
C=CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002375718	1	47	0.0	-65.07	370.77	9.52	-55.55
C=CCC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002375761	0	45	0.0	-62.50	363.33	5.84	-56.66
C=CCC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002375761	1	45	0.0	-63.50	362.79	5.88	-57.62
C=CCC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300002375764	0	43	0.0	-53.59	354.23	8.22	-45.37
C=CCC(NC(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300002375766	0	49	0.0	-60.45	390.14	9.60	-50.85
C=CCC(NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300002375789	1	50	0.0	-51.46	369.39	7.42	-44.04
C=CCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002375807	1	45	0.0	-80.58	361.85	8.31	-72.27
C=CCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002375807	1	45	0.0	-80.34	362.61	8.31	-72.03
C=CCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300002375847	1	46	0.0	-69.99	363.50	7.48	-62.51
C=CCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300002375850	0	52	0.0	-80.68	395.87	8.20	-72.48
C=CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002375878	0	47	0.0	-74.11	374.46	9.31	-64.80
C=CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002375878	1	47	0.0	-65.34	365.71	9.19	-56.15
C=CCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002375891	0	48	0.0	-81.37	391.95	8.85	-72.52
C=CCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002375903	0	44	0.0	-74.24	353.98	7.97	-66.27
C=CCC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002375921	0	46	0.0	-61.11	363.46	7.58	-53.53
C=CCC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002375921	1	46	0.0	-52.61	362.08	7.70	-44.91
C=CCC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002376065	0	48	0.0	-63.46	378.61	9.82	-53.64
C=CCC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002376065	1	48	0.0	-75.04	378.49	9.89	-65.15
C=CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300002376091	1	47	0.0	-56.22	373.92	9.59	-46.63
C=CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300002376091	1	47	0.0	-52.70	364.50	9.42	-43.28
C=CCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002376407	0	44	0.0	-80.54	356.84	7.67	-72.87
C=CCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002376451	0	50	0.0	-64.90	388.61	10.31	-54.59
C=CCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002376453	1	48	0.0	-82.94	374.98	8.06	-74.88
C=CCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002376453	1	48	0.0	-82.76	375.30	8.00	-74.76
C=CCC(NC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300002376491	0	56	0.0	-75.27	425.39	10.86	-64.41
C=CCC(NC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300002376491	1	56	0.0	-75.27	425.39	10.86	-64.41
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(CSC3CCCCC3)=C2)C1	REAL300002376693	0	57	0.0	-49.60	437.45	12.63	-36.97
CC1CC(C2=CC=CC=C2F)N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002376798	0	50	0.0	-50.54	381.46	11.44	-39.10
CC1CC(C2=CC=CC(F)=C2)N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002376905	0	50	0.0	-44.54	378.14	11.09	-33.45
CC1CC(C2=CC=CC(F)=C2)N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002376905	1	50	0.0	-44.54	378.14	11.09	-33.45
CC1=CC=C(C2C(C)CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002377015	0	56	0.0	-47.52	399.30	12.05	-35.47
CC1=CC=C(C2C(C)CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002377015	1	56	0.0	-42.89	398.52	11.51	-31.38
CC1=NOC(C)=C1CC(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002377125	0	48	0.0	-52.24	371.29	7.94	-44.30
CC1=NOC(C)=C1CC(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002377125	1	48	0.0	-53.07	365.26	7.98	-45.09
COC1=CC=CC(C(C)(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002377244	0	53	0.0	-50.42	396.00	8.53	-41.89
COC1=CC=CC(C(C)(C)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002377244	1	53	0.0	-51.08	395.89	8.55	-42.53
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC1=CC=CS1	REAL300002377442	0	46	0.0	-47.72	358.58	8.62	-39.10
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC1=CC=CS1	REAL300002377442	1	46	0.0	-45.71	357.83	8.18	-37.53
CC1=CC=C(C(C)(C)CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002377562	0	55	0.0	-48.42	391.46	11.60	-36.82
CC1=CC=C(C(C)(C)CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002377562	1	55	0.0	-44.63	390.29	11.15	-33.48
CN(CCC1=CC=CS1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002377656	0	43	0.0	-47.89	340.05	9.33	-38.56
CN(CCC1=CC=CS1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002377656	1	43	0.0	-44.50	338.89	8.88	-35.62
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300002377765	1	44	0.0	-67.52	349.27	5.18	-62.34
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300002377765	1	44	0.0	-57.64	348.22	4.75	-52.89
CC(C)C1=CC=C(CC(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002377895	0	55	0.0	-47.42	416.00	11.12	-36.30
CC(C)C1=CC=C(CC(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002377895	1	55	0.0	-47.77	410.56	11.14	-36.63
CC(C)(C)C1CCC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002378070	0	58	0.0	-46.91	394.34	9.54	-37.37
CC(C)(C)C1CCC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002378070	1	58	0.0	-44.22	399.46	9.35	-34.87
CC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCS1	REAL300002378193	0	44	0.0	-44.11	333.43	7.61	-36.50
CC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCS1	REAL300002378193	1	44	0.0	-44.17	332.63	7.18	-36.99
CC(C)C[C@H](NC(=O)CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002379282	0	59	0.0	-75.44	455.18	8.91	-66.53
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002379887	1	56	0.0	-61.60	431.14	7.85	-53.75
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002379887	1	56	0.0	-63.47	431.01	7.85	-55.62
CC(C)C[C@H](NC(=O)CNC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300002380766	0	53	0.0	-70.18	403.50	6.58	-63.60
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@@H+]1C1CC1)C(=O)[O-]	REAL300002380792	0	50	0.0	-62.84	387.03	5.78	-57.06
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@H+]1C1CC1)C(=O)[O-]	REAL300002380792	1	50	0.0	-64.83	384.62	5.50	-59.33
CC1=[NH+]C=C2CCC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])CN21	REAL300002380798	1	51	0.0	-63.89	401.61	6.48	-57.41
CC(C)C[C@H](NC(=O)CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300002380799	0	59	0.0	-65.98	457.79	8.91	-57.07
CC(C)C[C@H](NC(=O)CNC(=O)C1CCCC[N@@H+]1C)C(=O)[O-]	REAL300002380877	1	49	0.0	-64.70	365.92	5.15	-59.55
CC(C)C[C@H](NC(=O)CNC(=O)C1CCCC[N@H+]1C)C(=O)[O-]	REAL300002380877	1	49	0.0	-66.47	366.51	5.16	-61.31
CC(C)C[C@H](NC(=O)CNC(=O)C(C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300002380878	1	54	0.0	-72.69	407.35	3.52	-69.17
CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[O-]	REAL300002380920	1	49	0.0	-65.39	366.79	5.14	-60.25
CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[O-]	REAL300002380920	1	49	0.0	-63.06	376.06	5.27	-57.79
CC(C)C[C@H](NC(=O)CNC(=O)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300002381006	0	49	0.0	-72.62	377.86	5.39	-67.23
CC(C)C[C@H](NC(=O)CNC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)[O-]	REAL300002381033	0	44	0.0	-72.18	364.26	7.17	-65.01
CC(C)C[C@H](NC(=O)CNC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300002381070	0	58	0.0	-70.33	418.71	6.90	-63.43
CC(C)C[C@H](NC(=O)CNC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002381075	0	58	0.0	-69.89	432.27	7.34	-62.55
CC(C)C[C@H](NC(=O)CNC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002381075	1	58	0.0	-70.09	432.50	7.32	-62.77
CC(C)C[C@H](NC(=O)CNC(=O)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300002381143	0	49	0.0	-72.62	377.86	5.39	-67.23
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002381147	0	52	0.0	-75.08	423.76	6.32	-68.76
CC(C)C[C@H](NC(=O)CNC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300002381167	0	59	0.0	-61.84	430.69	7.46	-54.38
CC(C)C[C@H](NC(=O)CNC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300002381167	1	59	0.0	-62.41	425.91	7.66	-54.75
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002381168	0	60	0.0	-70.42	439.25	5.85	-64.57
CC1=[NH+]C=CN1CCCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002381202	1	50	0.0	-68.42	404.81	6.69	-61.73
CC(C)C[C@H](NC(=O)CNC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300002381203	1	56	0.0	-75.22	432.36	5.27	-69.95
CC[N@H+](CC1=CC=C(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1)C(C)C	REAL300002381206	0	61	0.0	-75.81	453.61	8.62	-67.19
CC[N@@H+](CC1=CC=C(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1)C(C)C	REAL300002381206	1	61	0.0	-76.85	452.24	8.63	-68.22
CC(C)C[C@H](NC(=O)CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002381260	0	56	0.0	-70.94	438.67	8.17	-62.77
CC(C)C[C@H](NC(=O)CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002381260	1	56	0.0	-70.57	439.08	8.22	-62.35
CC(C)C[C@H](NC(=O)CNC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002381261	0	57	0.0	-77.23	433.62	7.41	-69.82
CC(C)C[C@H](NC(=O)CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002381285	0	60	0.0	-70.15	430.83	5.52	-64.63
CCC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+](CC)CC	REAL300002381289	0	54	0.0	-60.84	400.10	6.15	-54.69
CC(C)C[C@H](NC(=O)CNC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002381291	1	55	0.0	-66.65	428.86	7.73	-58.92
CC(C)C[C@H](NC(=O)CNC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002381291	1	55	0.0	-65.23	428.98	7.69	-57.54
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300002381324	0	51	0.0	-76.22	407.79	5.42	-70.80
CCC[NH+](CCC)CCCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002381332	0	60	0.0	-71.16	451.95	7.68	-63.48
CC[N@H+](C)C(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300002381333	1	55	0.0	-63.64	427.01	7.85	-55.79
CC[N@@H+](C)C(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300002381333	1	55	0.0	-61.74	427.48	7.80	-53.94
CC(C)C[C@H](NC(=O)CNC(=O)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300002381335	1	47	0.0	-74.57	371.47	4.13	-70.44
CC(C)C[C@H](NC(=O)CNC(=O)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300002381335	1	47	0.0	-71.65	371.23	4.19	-67.46
CC[NH+](CC)C(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1=CC=CC=C1	REAL300002381338	0	58	0.0	-64.13	433.25	8.25	-55.88
CC(C)C[C@H](NC(=O)CNC(=O)CN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300002381347	1	50	0.0	-63.09	399.50	6.46	-56.63
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002381364	0	56	0.0	-77.53	437.04	8.36	-69.17
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002381371	0	59	0.0	-75.25	453.77	9.06	-66.19
CC(C)C[C@H](NC(=O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)[O-]	REAL300002381377	0	49	0.0	-68.73	385.79	5.50	-63.23
CC(C)C[C@H](NC(=O)CNC(=O)CCCC[NH+](C)C)C(=O)[O-]	REAL300002381386	0	51	0.0	-73.27	399.20	5.91	-67.36
CC(C)C[C@H](NC(=O)CNC(=O)C(C(C)C)[NH+](C)C)C(=O)[O-]	REAL300002381395	0	51	0.0	-67.22	382.96	5.95	-61.27
CC(C)C[C@H](NC(=O)CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002381408	1	59	0.0	-63.19	451.83	8.91	-54.28
CC(C)C[C@H](NC(=O)CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002381408	1	59	0.0	-64.42	442.44	8.77	-55.65
CC1=C(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002381410	1	50	0.0	-81.25	409.89	5.59	-75.66
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002381418	0	59	0.0	-77.44	453.55	9.12	-68.32
CC(C)C[C@H](NC(=O)CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300002381432	1	52	0.0	-80.50	417.75	5.90	-74.60
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002381433	0	55	0.0	-80.75	434.73	8.05	-72.70
CC(C)C[C@H](NC(=O)CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002381447	1	57	0.0	-66.32	441.04	7.61	-58.71
CC(C)C[C@H](NC(=O)CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002381447	1	57	0.0	-70.63	440.27	7.58	-63.05
CCC[N@H+](C)CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002381456	0	48	0.0	-66.61	373.08	5.14	-61.47
CCC[N@@H+](C)CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002381456	1	48	0.0	-66.98	373.32	5.09	-61.89
CC(C)C[C@H](NC(=O)CNC(=O)C[N@H+](C)C1CCC1)C(=O)[O-]	REAL300002381479	0	49	0.0	-65.03	380.22	5.64	-59.39
CC(C)C[C@H](NC(=O)CNC(=O)C[N@@H+](C)C1CCC1)C(=O)[O-]	REAL300002381479	1	49	0.0	-64.63	380.07	5.72	-58.91
CC(C)C[C@H](NC(=O)CNC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300002381509	0	54	0.0	-65.64	403.63	6.29	-59.35
CC(C)C[C@H](NC(=O)CNC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300002381509	1	54	0.0	-66.10	401.69	6.14	-59.96
CC(C)C[C@H](NC(=O)CNC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002381511	1	55	0.0	-70.37	432.99	8.17	-62.20
CC(C)C[C@H](NC(=O)CNC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002381511	1	55	0.0	-71.03	433.22	8.16	-62.87
COCCOCC[N@H+](C)CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002381512	0	59	0.0	-70.71	462.22	4.32	-66.39
COCCOCC[N@@H+](C)CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002381512	1	59	0.0	-72.14	462.26	4.35	-67.79
CC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+](C)C	REAL300002381516	0	48	0.0	-63.68	364.27	4.74	-58.94
CC(C)C[C@H](NC(=O)CNC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300002381518	0	53	0.0	-68.12	404.40	4.03	-64.09
CC(C)C[C@H](NC(=O)CNC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300002381518	1	53	0.0	-67.95	393.88	3.88	-64.07
CCCCCC[N@H+](C)CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002381540	0	57	0.0	-68.08	437.81	7.48	-60.60
CCCCCC[N@@H+](C)CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002381540	1	57	0.0	-68.00	437.81	7.48	-60.52
CC(C)C[C@H](NC(=O)CNC(=O)C12CCC[NH+]1CCC2)C(=O)[O-]	REAL300002381550	0	50	0.0	-63.27	378.74	5.70	-57.57
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300002381558	1	44	0.0	-74.61	364.53	7.19	-67.42
CC(C)C[C@H](NC(=O)CNC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300002381572	0	50	0.0	-71.18	393.43	5.90	-65.28
CC(C)C[C@H](NC(=O)CNC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300002381572	1	50	0.0	-70.90	393.18	6.02	-64.88
CC(C)C[C@H](NC(=O)CNC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002381588	0	60	0.0	-70.74	449.43	4.89	-65.85
CC(C)C[C@H](NC(=O)CNC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002381588	1	60	0.0	-69.76	445.71	4.71	-65.05
CC(C)C[C@H](NC(=O)CNC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002381589	0	63	0.0	-70.43	470.93	5.70	-64.73
CC(C)C[C@H](NC(=O)CNC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002381589	1	63	0.0	-72.24	467.21	5.50	-66.74
CC(C)C[C@H](NC(=O)CNC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300002381590	0	53	0.0	-60.85	398.44	6.52	-54.33
CC(C)C[C@H](NC(=O)CNC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300002381590	1	53	0.0	-63.93	389.89	6.34	-57.59
CC(C)C[C@H](NC(=O)CNC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300002381592	0	52	0.0	-80.67	418.17	5.23	-75.44
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002381603	0	58	0.0	-74.64	450.19	7.10	-67.54
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002381603	1	58	0.0	-74.56	450.07	7.01	-67.55
CCCC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+](C)C	REAL300002381628	0	51	0.0	-65.81	385.01	5.58	-60.23
CC(C)C[C@H](NC(=O)CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002381629	0	59	0.0	-74.46	458.30	8.95	-65.51
CC(C)C[C@H](NC(=O)CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002381629	1	59	0.0	-74.93	459.52	8.97	-65.96
CC(C)C[C@H](NC(=O)CNC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002381643	0	52	0.0	-80.53	418.53	5.29	-75.24
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300002381644	0	52	0.0	-70.31	413.06	5.19	-65.12
CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[O-]	REAL300002381648	0	49	0.0	-70.23	370.80	4.65	-65.58
CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[O-]	REAL300002381648	1	49	0.0	-68.74	376.68	4.99	-63.75
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002381650	1	53	0.0	-64.32	419.79	6.98	-57.34
CC[C@@H]1[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC[N@@H+]1C	REAL300002381653	0	52	0.0	-69.06	390.39	5.45	-63.61
CC[C@@H]1[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC[N@H+]1C	REAL300002381653	1	52	0.0	-69.07	396.15	5.75	-63.32
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002381656	1	48	0.0	-61.56	379.90	5.53	-56.03
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002381656	1	48	0.0	-62.77	385.81	6.02	-56.75
CC(C)C[C@H](NC(=O)CNC(=O)C1C[N@H+](C)CC(C)O1)C(=O)[O-]	REAL300002381662	1	50	0.0	-74.27	391.86	4.91	-69.36
CC(C)C[C@H](NC(=O)CNC(=O)C1C[N@@H+](C)CC(C)O1)C(=O)[O-]	REAL300002381662	1	50	0.0	-75.25	385.40	4.48	-70.77
CC1=[NH+]C=CN1CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002381672	1	44	0.0	-65.13	363.52	5.33	-59.80
CC(C)C[C@H](NC(=O)CNC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300002381674	0	53	0.0	-70.64	405.16	4.50	-66.14
CC(C)C[C@H](NC(=O)CNC(=O)C[NH+]1CCC(C)CC1)C(=O)[O-]	REAL300002381690	1	52	0.0	-66.18	396.81	6.23	-59.95
CC[N@@H+]1CCOC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	REAL300002381702	1	50	0.0	-72.57	389.29	4.78	-67.79
CC[N@H+]1CCOC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	REAL300002381702	1	50	0.0	-69.21	388.45	4.88	-64.33
CC(C)C[C@H](NC(=O)CNC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002381739	1	59	0.0	-78.18	455.92	7.25	-70.93
CC(C)C[C@H](NC(=O)CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002381740	0	59	0.0	-68.44	439.57	7.63	-60.81
CC(C)C[C@H](NC(=O)CNC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002381740	1	59	0.0	-69.54	439.38	7.61	-61.93
CC(C)C[C@H](NC(=O)CNC(=O)CCC1CCC[N@@H+]1C)C(=O)[O-]	REAL300002381746	0	52	0.0	-69.64	395.22	5.75	-63.89
CC(C)C[C@H](NC(=O)CNC(=O)CCC1CCC[N@H+]1C)C(=O)[O-]	REAL300002381746	1	52	0.0	-69.60	401.48	6.17	-63.43
CC(C)C[C@H](NC(=O)CNC(=O)C12CCC[NH+](CCC1)C2)C(=O)[O-]	REAL300002381759	0	53	0.0	-72.60	391.53	5.90	-66.70
CC(C)C[C@H](NC(=O)CNC(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)[O-]	REAL300002381761	1	50	0.0	-64.12	380.92	2.18	-61.94
CC(C)C[C@H](NC(=O)CNC(=O)C1(C)CC(O)C[N@H+]1C)C(=O)[O-]	REAL300002381761	1	50	0.0	-67.38	381.65	1.83	-65.55
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300002381762	0	53	0.0	-61.71	401.93	6.68	-55.03
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300002381762	1	53	0.0	-61.32	401.56	6.61	-54.71
CC(C)C[C@H](NC(=O)CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300002381769	0	56	0.0	-69.30	414.90	4.77	-64.53
CC(C)C[C@H](NC(=O)CNC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002381774	0	59	0.0	-80.05	449.65	6.15	-73.90
CC(C)C[C@H](NC(=O)CNC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002381774	1	59	0.0	-77.52	450.49	6.06	-71.46
CC[NH+](CC)CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002381785	0	48	0.0	-65.09	369.75	5.08	-60.01
CC(C)C[C@H](NC(=O)CNC(=O)C1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002381787	0	55	0.0	-69.68	408.51	6.39	-63.29
CC(C)C[C@H](NC(=O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)[O-]	REAL300002381867	0	47	0.0	-70.58	365.46	4.29	-66.29
CCC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])[NH+](C)C	REAL300002381870	0	48	0.0	-65.29	364.36	4.72	-60.57
CC(C)C[C@H](NC(=O)CNC(=O)C12CC[N@H+](C1)CCC2)C(=O)[O-]	REAL300002381878	0	50	0.0	-69.04	375.21	4.99	-64.05
CC(C)C[C@H](NC(=O)CNC(=O)C12CC[N@@H+](C1)CCC2)C(=O)[O-]	REAL300002381878	1	50	0.0	-69.47	374.81	5.06	-64.41
CC(C)C[C@H](NC(=O)CNC(=O)C[NH+]1C(C)CCC1C)C(=O)[O-]	REAL300002381926	0	52	0.0	-62.75	390.89	5.82	-56.93
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300002381927	0	52	0.0	-77.40	412.26	7.17	-70.23
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002381928	0	59	0.0	-69.65	454.38	8.91	-60.74
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002381928	1	59	0.0	-69.97	454.36	8.91	-61.06
CC(C)C[C@H](NC(=O)CNC(=O)C1([NH+](C)C)CCC1)C(=O)[O-]	REAL300002381967	0	49	0.0	-65.95	368.04	4.90	-61.05
C#CC[NH+]1CCC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300002381997	0	51	0.0	-73.84	403.35	6.49	-67.35
CCC[N@@H+]1CCCCC1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002381999	0	55	0.0	-65.20	405.89	6.53	-58.67
CCC[N@H+]1CCCCC1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300002381999	1	55	0.0	-64.12	405.93	6.49	-57.63
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300002382000	0	52	0.0	-65.81	404.93	7.39	-58.42
CC[NH+]1CCN(CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300002382002	0	57	0.0	-72.14	431.95	4.40	-67.74
CCN1CC[NH+](CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	REAL300002382002	1	57	0.0	-70.21	432.69	4.37	-65.84
CC(C)C[C@H](NC(=O)CNC(=O)C[N@H+](C)C(C)C)C(=O)[O-]	REAL300002382003	0	48	0.0	-64.56	368.50	4.91	-59.65
CC(C)C[C@H](NC(=O)CNC(=O)C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300002382003	1	48	0.0	-64.40	368.27	4.94	-59.46
CC(C)C[C@H](NC(=O)CNC(=O)C(C(C)C)[NH+]1CCCCC1)C(=O)[O-]	REAL300002382004	0	58	0.0	-59.60	421.88	7.16	-52.44
CC(C)C[C@H](NC(=O)CNC(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300002382005	1	52	0.0	-66.10	408.74	7.23	-58.87
CC(C)C[C@H](NC(=O)CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002382009	0	57	0.0	-68.48	447.05	5.15	-63.33
CC(C)C[C@H](NC(=O)CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002382009	1	57	0.0	-67.65	446.99	5.24	-62.41
CC(C)C[C@H](NC(=O)CNC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300002382014	1	53	0.0	-64.28	419.49	6.87	-57.41
CC(C)C[C@H](NC(=O)CNC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300002382016	0	55	0.0	-72.16	439.37	7.51	-64.65
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300002382022	0	56	0.0	-63.99	410.13	7.03	-56.96
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300002382022	1	56	0.0	-62.32	416.53	7.11	-55.21
CC[N@H+](CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1CC1	REAL300002382024	0	49	0.0	-63.29	383.05	5.78	-57.51
CC[N@@H+](CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1CC1	REAL300002382024	1	49	0.0	-64.48	380.22	5.63	-58.85
CC(C)C[C@H](NC(=O)CNC(=O)C(C)[NH+]1CCCCCC1)C(=O)[O-]	REAL300002382054	0	55	0.0	-63.47	404.16	6.08	-57.39
CC(C)C[C@H](NC(=O)CNC(=O)C[NH2+]C(C)(C)C)C(=O)[O-]	REAL300002382145	0	48	0.0	-66.12	373.05	3.39	-62.73
CC[NH+](CC)CC1=CC=C(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])O1	REAL300002382147	0	55	0.0	-73.73	429.92	6.58	-67.15
CC(C)C[C@H](NC(=O)CNC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300002382148	0	55	0.0	-72.15	425.41	7.04	-65.11
CC1=CC=C(N2CCC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)[NH+]=C1	REAL300002382150	1	58	0.0	-68.52	448.14	6.74	-61.78
CC(C)C[C@H](NC(=O)CNC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002382151	1	52	0.0	-70.06	410.79	7.31	-62.75
CC(C)C[C@H](NC(=O)CNC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002382151	1	52	0.0	-69.75	410.50	7.37	-62.38
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)[O-]	REAL300002382162	0	51	0.0	-63.69	381.63	5.45	-58.24
CC(C)C[C@H](NC(=O)CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002382180	1	47	0.0	-79.87	393.38	5.16	-74.71
CC(C)C[C@H](NC(=O)CNC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300002382209	1	48	0.0	-82.31	391.94	4.74	-77.57
CC(C)C[C@H](NC(=O)CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002382213	0	59	0.0	-73.08	458.91	8.83	-64.25
CC(C)C[C@H](NC(=O)CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002382213	1	59	0.0	-72.14	454.83	8.75	-63.39
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@@H+]1C(C)C)C(=O)[O-]	REAL300002382227	0	52	0.0	-62.28	386.55	5.91	-56.37
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@H+]1C(C)C)C(=O)[O-]	REAL300002382227	1	52	0.0	-62.35	395.88	5.88	-56.47
CC(C)C[C@H](NC(=O)CNC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300002382250	0	53	0.0	-76.84	414.05	5.76	-71.08
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002382255	0	56	0.0	-73.47	439.41	7.40	-66.07
CCC[N@@H+]1CCCC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	REAL300002382446	0	55	0.0	-69.37	417.78	6.76	-62.61
CCC[N@H+]1CCCC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	REAL300002382446	1	55	0.0	-68.22	417.00	6.75	-61.47
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@@H+]1CC(C)C)C(=O)[O-]	REAL300002382476	0	55	0.0	-64.57	408.04	6.96	-57.61
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@H+]1CC(C)C)C(=O)[O-]	REAL300002382476	1	55	0.0	-64.58	413.07	6.35	-58.23
CC(C)C[C@H](NC(=O)CNC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300002382477	1	53	0.0	-68.05	408.00	2.86	-65.19
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300002382704	0	55	0.0	-63.80	406.50	6.74	-57.06
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300002382704	1	55	0.0	-67.20	412.93	6.52	-60.68
CC(C)C[C@H](NC(=O)CNC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002382705	0	49	0.0	-74.83	391.42	5.25	-69.58
CC(C)C[C@H](NC(=O)CNC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002382705	1	49	0.0	-77.38	388.49	5.39	-71.99
CC1=C(C)[NH+]=C(CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])N1	REAL300002382731	1	50	0.0	-65.00	404.33	4.96	-60.04
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300002383224	0	55	0.0	-79.13	434.74	8.00	-71.13
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002383231	0	56	0.0	-77.42	442.03	6.95	-70.47
CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)[O-]	REAL300002383370	0	49	0.0	-71.49	382.86	5.44	-66.05
CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)[O-]	REAL300002383374	0	55	0.0	-65.38	406.39	6.34	-59.04
CC1=[NH+]C=C2C=CC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])=CN21	REAL300002383378	0	47	0.0	-67.69	385.66	6.95	-60.74
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300002383441	0	58	0.0	-68.68	434.72	7.44	-61.24
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300002383441	1	58	0.0	-65.26	428.89	7.68	-57.58
CC[N@@H+]1CCCC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	REAL300002383442	0	52	0.0	-64.98	390.05	6.21	-58.77
CC[N@H+]1CCCC(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1	REAL300002383442	1	52	0.0	-68.45	396.30	6.02	-62.43
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300002383446	0	49	0.0	-64.03	371.56	5.61	-58.42
CC(C)C[C@H](NC(=O)CNC(=O)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300002383446	1	49	0.0	-65.75	372.38	5.57	-60.18
CC(C)C[C@H](NC(=O)CNC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)[O-]	REAL300002383448	1	49	0.0	-74.79	396.76	5.48	-69.31
CC(C)C[C@H](NC(=O)CNC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300002383454	0	58	0.0	-74.06	423.26	6.86	-67.20
CC(C)C[C@H](NC(=O)CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300002383454	1	58	0.0	-75.05	415.62	6.40	-68.65
CC(C)C[C@H](NC(=O)CNC(=O)C12CC(C1)CN2C1CC1)C(=O)[O-]	REAL300002383457	0	51	0.0	-62.46	389.70	7.11	-55.35
CC(C)C[C@H](NC(=O)CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300002383457	1	51	0.0	-62.55	389.69	6.41	-56.14
CC(C)C[C@H](NC(=O)CNC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300002383457	1	51	0.0	-62.46	389.70	7.11	-55.35
CC1C2=CC=CC=C2CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002383501	0	47	0.0	-48.52	351.92	10.34	-38.18
CC1C2=CC=CC=C2CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002383501	1	47	0.0	-49.24	351.91	10.36	-38.88
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC3(C2)CCCCCC3)C1	REAL300002383634	1	54	0.0	-47.03	373.29	9.28	-37.75
CCOC1=CC(C)=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002383758	1	50	0.0	-44.20	380.29	7.89	-36.31
CC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC(C)C)=C1	REAL300002383883	1	53	0.0	-46.76	406.34	8.99	-37.77
COC1=CC=C(CC(C)CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002384015	0	56	0.0	-50.28	411.44	10.66	-39.62
COC1=CC=C(CC(C)CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002384015	1	56	0.0	-50.04	418.39	10.71	-39.33
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCOC(C2CC2)C1	REAL300002384108	0	48	0.0	-47.65	350.69	7.59	-40.06
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCOC(C2CC2)C1	REAL300002384108	1	48	0.0	-48.38	356.14	7.56	-40.82
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCOC2(CCOC2)C1	REAL300002384208	0	49	0.0	-51.04	360.46	4.57	-46.47
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCOC2(CCOC2)C1	REAL300002384208	1	49	0.0	-51.00	359.98	4.60	-46.40
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)C1	REAL300002384328	0	44	0.0	-51.58	363.81	10.61	-40.97
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(Cl)C=C(Cl)C=C3C2)C1	REAL300002384328	1	44	0.0	-50.45	363.95	10.59	-39.86
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1=CC=C(COC2CCOCC2)C=C1	REAL300002384547	0	58	0.0	-47.74	438.60	7.94	-39.80
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1=CC=C(COC2CCOCC2)C=C1	REAL300002384547	1	58	0.0	-49.59	440.51	8.39	-41.20
O=C([O-])C1(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCSCC1	REAL300002385658	0	51	0.0	-73.64	384.42	11.25	-62.39
O=C([O-])C1(NC(=O)C2CC[NH+](C3CC3)CC2)CCSCC1	REAL300002386976	0	45	0.0	-71.05	337.52	9.14	-61.91
CC1=[NH+]C=C2CCC(C(=O)NC3(C(=O)[O-])CCSCC3)CN21	REAL300002387003	1	43	0.0	-60.88	331.27	8.81	-52.07
CC1=NC(C[NH+]2CCC(C(=O)NC3(C(=O)[O-])CCSCC3)CC2)=CS1	REAL300002387063	1	50	0.0	-69.64	391.79	9.32	-60.32
CC(C(=O)NC1(C(=O)[O-])CCSCC1)N1CC[NH+](C)CC1	REAL300002387064	1	46	0.0	-68.35	334.59	5.81	-62.54
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300002387134	0	54	0.0	-77.74	417.70	10.84	-66.90
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCSCC2)=C1	REAL300002387139	0	54	0.0	-76.70	418.50	13.19	-63.51
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCSCC2)=C1	REAL300002387139	1	54	0.0	-76.66	418.38	13.19	-63.47
O=C([O-])C1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CCSCC1	REAL300002387191	0	36	0.0	-68.85	293.80	9.61	-59.24
C[NH+](C)CC1(C(=O)NC2(C(=O)[O-])CCSCC2)CCCCC1	REAL300002387217	0	50	0.0	-58.18	328.88	9.82	-48.36
C[N@H+](CCC(=O)NC1(C(=O)[O-])CCSCC1)C1CCCCC1	REAL300002387220	0	50	0.0	-65.68	362.04	9.68	-56.00
C[N@@H+](CCC(=O)NC1(C(=O)[O-])CCSCC1)C1CCCCC1	REAL300002387220	1	50	0.0	-65.01	362.04	9.68	-55.33
O=C([O-])C1(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCSCC1	REAL300002387283	0	44	0.0	-81.81	352.85	8.74	-73.07
O=C([O-])C1(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CCSCC1	REAL300002387299	0	52	0.0	-50.77	365.40	8.01	-42.76
CC1=[NH+]C=CN1CCCC(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387327	1	42	0.0	-64.64	334.61	8.99	-55.65
O=C(CCCC[NH+]1CCOCC1)NC1(C(=O)[O-])CCSCC1	REAL300002387328	1	48	0.0	-73.20	361.89	7.67	-65.53
CC[N@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCSCC2)C=C1)C(C)C	REAL300002387329	0	53	0.0	-81.39	382.28	10.85	-70.54
CC[N@@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCSCC2)C=C1)C(C)C	REAL300002387329	1	53	0.0	-79.06	381.44	10.78	-68.28
O=C([O-])C1(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCSCC1	REAL300002387347	0	48	0.0	-65.50	366.29	10.44	-55.06
O=C([O-])C1(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCSCC1	REAL300002387347	1	48	0.0	-66.12	366.85	10.44	-55.68
O=C([O-])C1(NC(=O)C2CC[NH+](C3CCSC3)CC2)CCSCC1	REAL300002387348	0	49	0.0	-72.40	363.44	9.71	-62.69
O=C(CC1([NH+]2CCOCC2)CCCC1)NC1(C(=O)[O-])CCSCC1	REAL300002387376	0	52	0.0	-66.05	360.34	7.70	-58.35
CCC(C(=O)NC1(C(=O)[O-])CCSCC1)[NH+](CC)CC	REAL300002387380	0	46	0.0	-50.64	329.75	8.22	-42.42
CC(C(=O)NC1(C(=O)[O-])CCSCC1)[N@H+](C)CC1=CC=CC=C1	REAL300002387382	0	47	0.0	-61.67	358.54	10.05	-51.62
CC(C(=O)NC1(C(=O)[O-])CCSCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300002387382	1	47	0.0	-61.73	358.61	10.03	-51.70
O=C([O-])C1(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCSCC1	REAL300002387390	0	54	0.0	-52.77	398.10	12.14	-40.63
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCSCC1	REAL300002387390	1	54	0.0	-67.99	407.23	12.13	-55.86
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCSCC2)C=N1	REAL300002387404	0	43	0.0	-78.38	337.60	8.11	-70.27
CCC[NH+](CCC)CCCC(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387411	0	52	0.0	-67.04	381.74	10.01	-57.03
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387419	1	42	0.0	-56.09	329.40	8.78	-47.31
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCSCC1	REAL300002387433	0	48	0.0	-80.97	366.59	10.74	-70.23
O=C([O-])C1(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCSCC1	REAL300002387438	0	51	0.0	-71.60	383.35	11.44	-60.16
CCN1CCC([NH+]2CCC(C(=O)NC3(C(=O)[O-])CCSCC3)CC2)CC1	REAL300002387443	0	59	0.0	-68.72	414.57	8.80	-59.92
CC1C[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCSCC3)C=C2)CC(C)O1	REAL300002387449	1	55	0.0	-84.70	416.72	10.48	-74.22
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NC1(C(=O)[O-])CCSCC1	REAL300002387460	1	52	0.0	-73.83	397.94	10.34	-63.49
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NC1(C(=O)[O-])CCSCC1	REAL300002387460	1	52	0.0	-77.23	391.17	10.29	-66.94
CC1=C(C(=O)NC2(C(=O)[O-])CCSCC2)C=NN1C1=CC=[NH+]C=C1	REAL300002387476	1	42	0.0	-77.98	339.38	7.95	-70.03
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCSCC1	REAL300002387479	0	51	0.0	-82.45	383.05	11.40	-71.05
O=C([O-])C1(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCSCC1	REAL300002387490	1	44	0.0	-74.55	348.12	8.30	-66.25
C[NH+](C)CCC1=CC=C(C(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300002387491	0	47	0.0	-85.96	364.28	10.44	-75.52
CNC1=[NH+]C(C)=CC=C1C(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387496	1	40	0.0	-57.18	312.94	7.07	-50.11
O=C([O-])C1(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCSCC1	REAL300002387497	1	49	0.0	-56.70	368.43	9.54	-47.16
O=C([O-])C1(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCSCC1	REAL300002387497	1	49	0.0	-70.64	377.73	9.72	-60.92
CC(C(=O)NC1(C(=O)[O-])CCSCC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002387507	0	57	0.0	-59.61	414.33	12.30	-47.31
C[N@H+](CC(=O)NC1(C(=O)[O-])CCSCC1)CC(C)(C)C	REAL300002387543	0	46	0.0	-57.86	333.29	8.51	-49.35
C[N@@H+](CC(=O)NC1(C(=O)[O-])CCSCC1)CC(C)(C)C	REAL300002387543	1	46	0.0	-57.13	333.43	8.56	-48.57
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387545	0	47	0.0	-60.46	362.78	10.44	-50.02
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387545	1	47	0.0	-60.59	362.79	10.44	-50.15
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387546	0	51	0.0	-65.45	391.75	6.71	-58.74
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387546	1	51	0.0	-65.34	391.81	6.71	-58.63
C[N@@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300002387549	0	45	0.0	-62.51	324.26	5.80	-56.71
C[N@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300002387549	1	45	0.0	-66.00	321.38	5.90	-60.10
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)NC1(C(=O)[O-])CCSCC1	REAL300002387556	0	56	0.0	-71.43	417.44	10.17	-61.26
CCCCCC[N@H+](C)CC(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387558	0	49	0.0	-58.98	367.38	9.76	-49.22
CCCCCC[N@@H+](C)CC(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387558	1	49	0.0	-58.93	367.37	9.76	-49.17
O=C([O-])C1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CCSCC1	REAL300002387570	1	36	0.0	-76.69	294.08	9.62	-67.07
C[N@H+](CC(=O)NC1(C(=O)[O-])CCSCC1)C1CCSC1	REAL300002387586	0	42	0.0	-63.66	323.14	8.23	-55.43
C[N@@H+](CC(=O)NC1(C(=O)[O-])CCSCC1)C1CCSC1	REAL300002387586	1	42	0.0	-59.68	322.92	8.25	-51.43
CC(C)[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300002387599	0	52	0.0	-68.82	378.99	7.26	-61.56
CC(C)N1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300002387599	1	52	0.0	-64.01	375.81	7.10	-56.91
CC(C)[NH+]1CCN(CCCC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300002387600	0	55	0.0	-70.01	395.39	7.68	-62.33
CC(C)N1CC[NH+](CCCC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300002387600	1	55	0.0	-67.91	396.81	7.84	-60.07
O=C([O-])C1(NC(=O)C2CCCC3CCC[N@@H+]32)CCSCC1	REAL300002387601	0	45	0.0	-55.35	314.08	8.10	-47.25
O=C([O-])C1(NC(=O)C2CCCC3CCC[N@H+]32)CCSCC1	REAL300002387601	1	45	0.0	-51.63	328.20	8.82	-42.81
C[NH+](C)CCN1C=C(C(=O)NC2(C(=O)[O-])CCSCC2)C=N1	REAL300002387603	0	44	0.0	-79.00	347.95	7.65	-71.35
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3(C(=O)[O-])CCSCC3)CC2)=C1	REAL300002387606	0	56	0.0	-67.90	417.84	10.09	-57.81
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NC1(C(=O)[O-])CCSCC1	REAL300002387608	0	53	0.0	-67.88	396.43	9.42	-58.46
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCSCC1	REAL300002387610	0	50	0.0	-66.89	379.70	9.49	-57.40
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCSCC1	REAL300002387610	1	50	0.0	-67.57	379.62	9.40	-58.17
CC(C(=O)NC1(C(=O)[O-])CCSCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002387615	1	48	0.0	-58.51	358.67	10.56	-47.95
CC(C(=O)NC1(C(=O)[O-])CCSCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002387615	1	48	0.0	-59.00	358.70	10.56	-48.44
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NC1(C(=O)[O-])CCSCC1	REAL300002387638	0	51	0.0	-71.25	388.08	11.24	-60.01
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NC1(C(=O)[O-])CCSCC1	REAL300002387638	1	51	0.0	-72.81	390.05	11.32	-61.49
C[NH+](C)CCN1C=CC(C(=O)NC2(C(=O)[O-])CCSCC2)=N1	REAL300002387651	0	44	0.0	-87.45	348.33	7.64	-79.81
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387652	0	44	0.0	-58.78	343.11	7.55	-51.23
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387653	1	45	0.0	-60.22	349.60	9.21	-51.01
CC[C@@H]1[C@@H](C(=O)NC2(C(=O)[O-])CCSCC2)CC[N@@H+]1C	REAL300002387656	0	44	0.0	-65.47	321.06	7.71	-57.76
CC[C@@H]1[C@@H](C(=O)NC2(C(=O)[O-])CCSCC2)CC[N@H+]1C	REAL300002387656	1	44	0.0	-64.68	326.07	8.02	-56.66
CC1C[N@H+](C)CC(C(=O)NC2(C(=O)[O-])CCSCC2)O1	REAL300002387664	1	42	0.0	-72.58	315.48	6.86	-65.72
CC1C[N@@H+](C)CC(C(=O)NC2(C(=O)[O-])CCSCC2)O1	REAL300002387664	1	42	0.0	-74.45	322.24	6.88	-67.57
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCSCC1	REAL300002387668	0	51	0.0	-67.04	391.18	11.32	-55.72
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCSCC1	REAL300002387668	1	51	0.0	-59.00	380.02	11.26	-47.74
CC(C[NH+]1CCOCC1)C(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387673	1	45	0.0	-65.66	334.96	6.80	-58.86
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)NC1(C(=O)[O-])CCSCC1	REAL300002387674	0	52	0.0	-68.34	393.67	8.79	-59.55
CC1CC[NH+](CC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300002387682	0	44	0.0	-58.16	326.22	8.49	-49.67
CC[N@@H+]1CCOC(C(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300002387694	1	42	0.0	-69.52	307.32	6.66	-62.86
CC[N@H+]1CCOC(C(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300002387694	1	42	0.0	-52.12	309.42	6.62	-45.50
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300002387721	1	51	0.0	-79.40	380.42	9.44	-69.96
O=C([O-])C1(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)CCSCC1	REAL300002387722	0	51	0.0	-63.40	369.64	9.99	-53.41
O=C([O-])C1(NC(=O)C2CC[N@H+](C3CCCCC3)C2)CCSCC1	REAL300002387722	1	51	0.0	-62.60	368.32	9.93	-52.67
C[N@@H+]1CCCC1CCC(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387728	0	44	0.0	-67.33	331.05	8.57	-58.76
C[N@H+]1CCCC1CCC(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387728	1	44	0.0	-66.98	325.58	8.10	-58.88
O=C([O-])C1(NC(=O)C2CCC3CCCC[N@@H+]32)CCSCC1	REAL300002387739	0	45	0.0	-55.39	330.98	8.96	-46.43
O=C([O-])C1(NC(=O)C2CCC3CCCC[N@H+]32)CCSCC1	REAL300002387739	1	45	0.0	-54.03	329.32	8.93	-45.10
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3(C(=O)[O-])CCSCC3)=C2)CC1	REAL300002387753	0	53	0.0	-70.49	400.47	9.02	-61.47
C[NH+]1CCN(CC2=CC=C(C(=O)NC3(C(=O)[O-])CCSCC3)C=C2)CC1	REAL300002387754	0	53	0.0	-82.54	399.53	8.84	-73.70
CN1CC[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCSCC3)C=C2)CC1	REAL300002387754	1	53	0.0	-83.18	399.87	8.90	-74.28
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300002387755	0	54	0.0	-81.69	406.78	10.74	-70.95
CC(C)[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300002387762	0	47	0.0	-71.05	342.56	8.92	-62.13
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCSCC1	REAL300002387857	0	55	0.0	-86.28	415.03	8.76	-77.52
CC1CCC(C)[NH+]1CC(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387862	0	44	0.0	-54.87	317.95	7.59	-47.28
C[NH+](C)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCSCC2)=C1	REAL300002387863	0	44	0.0	-72.72	341.84	9.60	-63.12
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCSCC1	REAL300002387864	0	51	0.0	-62.72	384.75	11.25	-51.47
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCSCC1	REAL300002387864	1	51	0.0	-63.97	384.74	11.25	-52.72
C#CC[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300002387912	0	43	0.0	-71.90	332.91	8.88	-63.02
CC[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300002387915	0	49	0.0	-70.66	362.25	6.74	-63.92
CCN1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300002387915	1	49	0.0	-64.06	362.24	6.74	-57.32
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C(=O)[O-])CCSCC1	REAL300002387922	1	45	0.0	-59.98	349.04	9.24	-50.74
CC(C(=O)NC1(C(=O)[O-])CCSCC1)[NH+]1CCCCCC1	REAL300002387951	0	47	0.0	-53.05	332.61	8.52	-44.53
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCSCC3)=CC=C1N2	REAL300002387982	1	49	0.0	-80.67	376.58	10.01	-70.66
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCSCC3)=CC=C1N2	REAL300002387982	1	49	0.0	-80.13	376.74	9.98	-70.15
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCSCC2)O1	REAL300002388026	0	47	0.0	-76.17	363.50	9.30	-66.87
O=C(CCCC[NH+]1CCCC1)NC1(C(=O)[O-])CCSCC1	REAL300002388027	0	47	0.0	-70.18	354.96	9.40	-60.78
CC1=CC=C(N2CCC(C(=O)NC3(C(=O)[O-])CCSCC3)CC2)[NH+]=C1	REAL300002388029	1	50	0.0	-71.08	377.68	9.16	-61.92
C[N@H+](CC(=O)NC1(C(=O)[O-])CCSCC1)CC1=CC=CC=C1	REAL300002388030	1	44	0.0	-61.68	340.32	9.61	-52.07
C[N@@H+](CC(=O)NC1(C(=O)[O-])CCSCC1)CC1=CC=CC=C1	REAL300002388030	1	44	0.0	-61.32	340.31	9.59	-51.73
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3(C(=O)[O-])CCSCC3)C=C2)CC1	REAL300002388034	0	56	0.0	-82.02	409.81	9.97	-72.05
O=C([O-])C1(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCSCC1	REAL300002388046	1	39	0.0	-76.65	322.93	7.55	-69.10
C[NH+](C)CC1=CC(C(=O)NC2(C(=O)[O-])CCSCC2)=NO1	REAL300002388068	1	40	0.0	-76.08	322.75	7.15	-68.93
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCSCC1	REAL300002388073	0	51	0.0	-67.98	389.10	11.15	-56.83
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCSCC1	REAL300002388073	1	51	0.0	-73.54	387.30	11.06	-62.48
CC(C)[N@@H+]1CCCC1C(=O)NC1(C(=O)[O-])CCSCC1	REAL300002388091	0	44	0.0	-54.70	321.09	8.02	-46.68
CC(C)[N@H+]1CCCC1C(=O)NC1(C(=O)[O-])CCSCC1	REAL300002388091	1	44	0.0	-55.39	319.60	8.02	-47.37
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300002388097	0	52	0.0	-82.75	406.12	10.57	-72.18
C[NH+]1CCC(OCC(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300002388109	0	45	0.0	-76.82	343.59	7.81	-69.01
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCSCC1	REAL300002388115	0	48	0.0	-77.32	368.66	9.70	-67.62
CCC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300002388255	0	47	0.0	-65.13	347.38	9.09	-56.04
CCC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300002388255	1	47	0.0	-63.32	347.34	9.09	-54.23
O=C(C[NH+]1CCC(CO)CC1)NC1(C(=O)[O-])CCSCC1	REAL300002388283	1	45	0.0	-58.60	337.05	5.18	-53.42
CC(C)[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300002388455	0	47	0.0	-63.63	342.55	8.86	-54.77
CC(C)[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300002388455	1	47	0.0	-56.24	332.13	8.78	-47.46
C[N@@H+]1CC(C(=O)NC2(C(=O)[O-])CCSCC2)C(C(F)(F)F)C1	REAL300002388456	0	41	0.0	-74.88	310.12	7.19	-67.69
C[N@H+]1CC(C(=O)NC2(C(=O)[O-])CCSCC2)C(C(F)(F)F)C1	REAL300002388456	1	41	0.0	-73.00	313.56	7.34	-65.66
CC1=C(C)[NH+]=C(CCC(=O)NC2(C(=O)[O-])CCSCC2)N1	REAL300002388479	1	42	0.0	-60.04	333.87	7.37	-52.67
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C(=O)[O-])CCSCC2)=C1	REAL300002388863	0	47	0.0	-77.33	364.28	10.42	-66.91
C[NH+](C)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300002388870	0	48	0.0	-80.73	371.58	9.39	-71.34
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1(C(=O)[O-])CCSCC1	REAL300002388955	0	54	0.0	-69.03	403.36	11.94	-57.09
CC1C[N@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCSCC3)C=C2)CCO1	REAL300002388957	1	52	0.0	-84.82	395.88	9.78	-75.04
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCSCC3)C=C2)CCO1	REAL300002388957	1	52	0.0	-84.84	395.88	9.80	-75.04
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C(=O)[O-])CCSCC2)CC1	REAL300002388985	0	47	0.0	-51.55	332.45	8.55	-43.00
CC1=[NH+]C=C2C=CC(C(=O)NC3(C(=O)[O-])CCSCC3)=CN21	REAL300002388990	0	39	0.0	-65.39	315.18	9.39	-56.00
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300002389040	0	50	0.0	-57.94	350.60	9.61	-48.33
CC(C)C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300002389040	1	50	0.0	-52.42	355.63	9.79	-42.63
CC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300002389041	0	44	0.0	-55.95	314.71	8.27	-47.68
CC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCSCC2)C1	REAL300002389041	1	44	0.0	-62.87	325.86	8.36	-54.51
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCSCC2)O1	REAL300002389047	1	41	0.0	-79.24	327.07	7.83	-71.41
O=C([O-])C1(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CCSCC1	REAL300002389055	1	43	0.0	-59.05	328.73	8.55	-50.50
O=C([O-])C1(NC(=O)C23CC(C2)C[N@H+]3C2CC2)CCSCC1	REAL300002389055	1	43	0.0	-64.39	306.83	7.96	-56.43
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CC3=CC=CC=C3F)CC2)C1	REAL300002389140	0	53	0.0	-44.81	391.92	11.32	-33.49
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CC3=CC=CC=C3F)CC2)C1	REAL300002389140	1	53	0.0	-46.62	394.75	11.64	-34.98
O=C([O-])C1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C2=CC=CC=C21	REAL300002390258	0	51	0.0	-69.05	392.76	12.71	-56.34
O=C([O-])C1CN(C(=O)C2CC[NH+](C3CC3)CC2)C2=CC=CC=C21	REAL300002391580	0	45	0.0	-61.17	340.29	10.29	-50.88
CC1=[NH+]C=C2CCC(C(=O)N3CC(C(=O)[O-])C4=CC=CC=C43)CN12	REAL300002391608	1	43	0.0	-57.06	338.99	10.13	-46.93
CC1=NC(C[NH+]2CCC(C(=O)N3CC(C(=O)[O-])C4=CC=CC=C43)CC2)=CS1	REAL300002391669	1	50	0.0	-65.08	400.16	10.46	-54.62
CC(C(=O)N1CC(C(=O)[O-])C2=CC=CC=C21)N1CC[NH+](C)CC1	REAL300002391670	1	46	0.0	-66.58	338.08	7.13	-59.45
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300002391740	0	54	0.0	-78.39	422.80	12.10	-66.29
O=C([O-])C1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C2=CC=CC=C21	REAL300002391796	0	36	0.0	-65.90	295.54	10.61	-55.29
C[NH+](C)CC1(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)CCCCC1	REAL300002391822	0	50	0.0	-70.36	344.97	10.14	-60.22
C[N@H+](CCC(=O)N1CC(C(=O)[O-])C2=CC=CC=C21)C1CCCCC1	REAL300002391825	0	50	0.0	-76.11	367.15	10.97	-65.14
C[N@@H+](CCC(=O)N1CC(C(=O)[O-])C2=CC=CC=C21)C1CCCCC1	REAL300002391825	1	50	0.0	-75.76	367.14	10.96	-64.80
O=C([O-])C1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C2=CC=CC=C21	REAL300002391887	0	44	0.0	-70.77	354.58	9.67	-61.10
O=C([O-])C1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C2=CC=CC=C21	REAL300002391903	0	52	0.0	-67.11	383.65	9.73	-57.38
CC1=[NH+]C=CN1CCCC(=O)N1CC(C(=O)[O-])C2=CC=CC=C21	REAL300002391932	1	42	0.0	-72.25	339.71	10.27	-61.98
O=C([O-])C1CN(C(=O)CCCC[NH+]2CCOCC2)C2=CC=CC=C21	REAL300002391933	1	48	0.0	-80.47	367.00	8.95	-71.52
CC[N@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C=C1)C(C)C	REAL300002391934	0	53	0.0	-69.91	384.86	11.81	-58.10
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C=C1)C(C)C	REAL300002391934	1	53	0.0	-67.97	383.59	11.71	-56.26
O=C([O-])C1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C2=CC=CC=C21	REAL300002391952	0	48	0.0	-66.53	377.29	12.01	-54.52
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CC(C)[N@H+]1CCCC1C(=O)N1CC(C(=O)[O-])C2=CC=CC=C21	REAL300002392708	1	44	0.0	-53.24	332.38	9.54	-43.70
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300002392715	0	52	0.0	-73.68	414.34	12.06	-61.62
C[NH+]1CCC(OCC(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300002392726	0	45	0.0	-80.68	348.69	9.53	-71.15
O=C([O-])C1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C2=CC=CC=C21	REAL300002392732	0	48	0.0	-65.68	374.96	11.28	-54.40
CCC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300002392875	0	47	0.0	-57.92	345.46	10.60	-47.32
CCC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300002392875	1	47	0.0	-58.93	345.48	10.60	-48.33
O=C([O-])C1CN(C(=O)C[NH+]2CCC(CO)CC2)C2=CC=CC=C21	REAL300002392904	1	45	0.0	-69.79	340.81	6.41	-63.38
CC(C)[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300002393081	0	47	0.0	-56.64	339.01	10.34	-46.30
CC(C)[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300002393081	1	47	0.0	-57.12	341.11	10.38	-46.74
C[N@@H+]1CC(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C(C(F)(F)F)C1	REAL300002393082	0	41	0.0	-73.96	336.43	9.29	-64.67
C[N@H+]1CC(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C(C(F)(F)F)C1	REAL300002393082	1	41	0.0	-70.41	325.81	8.93	-61.48
CC1=C(C)[NH+]=C(CCC(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)N1	REAL300002393105	1	42	0.0	-67.90	337.32	8.59	-59.31
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300002393493	0	47	0.0	-71.88	366.30	11.39	-60.49
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300002393500	0	48	0.0	-69.24	373.61	10.34	-58.90
O=C([O-])C1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C2=CC=CC=C21	REAL300002393588	0	54	0.0	-75.09	406.79	13.26	-61.83
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])C4=CC=CC=C43)C=C2)CCO1	REAL300002393590	1	52	0.0	-72.60	391.20	10.73	-61.87
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(C(=O)[O-])C4=CC=CC=C43)C=C2)CCO1	REAL300002393590	1	52	0.0	-71.05	390.41	10.69	-60.36
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300002393620	0	47	0.0	-64.81	339.75	10.03	-54.78
CC1=[NH+]C=C2C=CC(C(=O)N3CC(C(=O)[O-])C4=CC=CC=C43)=CN21	REAL300002393624	0	39	0.0	-61.01	316.95	10.39	-50.62
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300002393674	0	50	0.0	-63.29	372.63	11.18	-52.11
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300002393674	1	50	0.0	-61.49	374.42	11.21	-50.28
CC[N@@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300002393675	0	44	0.0	-59.76	325.15	9.90	-49.86
CC[N@H+]1CCCC(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)C1	REAL300002393675	1	44	0.0	-61.74	335.48	9.79	-51.95
C[NH+](C)CC1=CC=C(C(=O)N2CC(C(=O)[O-])C3=CC=CC=C32)O1	REAL300002393681	1	41	0.0	-65.82	332.31	9.31	-56.51
O=C([O-])C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C2=CC=CC=C21	REAL300002393689	1	43	0.0	-68.14	323.92	9.86	-58.28
O=C([O-])C1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C2=CC=CC=C21	REAL300002393689	1	43	0.0	-67.20	319.96	9.64	-57.56
COC1=CC=C(CC(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300002393770	0	57	0.0	-52.18	427.04	8.70	-43.48
COC1=CC=C(CC(C)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300002393770	1	57	0.0	-50.77	425.89	8.27	-42.50
CCCC(C)C1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002393850	0	52	0.0	-46.71	367.02	10.48	-36.23
CCCC(C)C1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002393850	1	52	0.0	-42.38	365.81	10.03	-32.35
CC1(C)CCC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300002393959	0	56	0.0	-49.54	400.36	10.59	-38.95
CC1(C)CCC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300002393959	1	56	0.0	-46.38	398.47	10.16	-36.22
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1Br	REAL300002394076	0	49	0.0	-48.69	377.21	9.55	-39.14
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1Br	REAL300002394076	1	49	0.0	-45.55	368.76	9.12	-36.43
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(OC3=CC=CC=C3Cl)C2)C1	REAL300002394184	0	51	0.0	-47.67	389.51	10.01	-37.66
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(OC3=CC=CC=C3Cl)C2)C1	REAL300002394184	1	51	0.0	-51.18	396.98	10.47	-40.71
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C(OC2COC2)C=C1	REAL300002394306	0	46	0.0	-52.83	359.22	6.06	-46.77
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C(OC2COC2)C=C1	REAL300002394306	1	46	0.0	-51.99	359.83	6.05	-45.94
CC1(C)CCC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002394396	0	52	0.0	-46.99	372.12	8.69	-38.30
CC1(C)CCC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002394396	1	52	0.0	-47.60	372.78	8.71	-38.89
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2CCCC2)C(F)(F)F)C1	REAL300002394542	1	46	0.0	-51.15	346.86	8.32	-42.83
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2CCCC2)C(F)(F)F)C1	REAL300002394542	1	46	0.0	-49.50	349.43	8.41	-41.09
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2CCOC3=C(F)C=CC=C32)C1	REAL300002394656	0	45	0.0	-54.82	347.79	7.33	-47.49
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2CCOC3=C(F)C=CC=C32)C1	REAL300002394656	1	45	0.0	-53.93	346.81	7.31	-46.62
CCOC1CC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C12CCC2	REAL300002394780	0	54	0.0	-46.51	391.37	9.56	-36.95
CCOC1CC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C12CCC2	REAL300002394780	1	54	0.0	-49.08	394.74	9.22	-39.86
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=N1	REAL300002396095	0	53	0.0	-71.38	410.08	9.76	-61.62
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=N1	REAL300002396813	1	50	0.0	-60.40	392.83	9.18	-51.22
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=N1	REAL300002396813	1	50	0.0	-57.63	386.73	8.66	-48.97
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=N1	REAL300002397760	0	47	0.0	-64.55	358.40	7.39	-57.16
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=N1	REAL300002397790	1	44	0.0	-60.53	340.52	6.53	-54.00
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@H+]2C2CC2)C=N1	REAL300002397790	1	44	0.0	-56.13	340.08	6.80	-49.33
CC1=[NH+]C=C2CCC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)CN21	REAL300002397796	1	45	0.0	-58.47	356.64	7.26	-51.21
CC(C)(C(=O)[O-])N1C=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=N1	REAL300002397797	0	53	0.0	-61.95	410.49	9.57	-52.38
CC1=NC(C[NH+]2CCC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)CC2)=CS1	REAL300002397875	1	52	0.0	-70.83	418.70	7.55	-63.28
CC(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)N1CC[NH+](C)CC1	REAL300002397876	1	48	0.0	-66.91	363.85	4.47	-62.44
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=C1	REAL300002397963	0	56	0.0	-69.83	443.06	9.30	-60.53
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C=N1	REAL300002397976	0	56	0.0	-62.32	421.30	10.11	-52.21
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=N1	REAL300002398034	0	38	0.0	-64.97	317.71	7.98	-56.99
C[NH+](C)CC1(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CCCCC1	REAL300002398067	0	52	0.0	-58.70	377.17	7.87	-50.83
C[N@H+](CCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1CCCCC1	REAL300002398072	0	52	0.0	-65.57	385.96	8.06	-57.51
C[N@@H+](CCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1CCCCC1	REAL300002398072	1	52	0.0	-65.66	387.41	8.12	-57.54
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=N1	REAL300002398151	0	46	0.0	-70.25	379.81	7.27	-62.98
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=N1	REAL300002398176	0	53	0.0	-58.04	381.67	8.45	-49.59
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=N1	REAL300002398176	1	53	0.0	-57.35	380.22	8.38	-48.97
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C=N1	REAL300002398177	0	54	0.0	-58.85	394.20	6.66	-52.19
CC1=[NH+]C=CN1CCCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398208	1	44	0.0	-62.62	359.96	7.45	-55.17
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCCC[NH+]2CCOCC2)C=N1	REAL300002398209	1	50	0.0	-70.84	388.86	6.23	-64.61
CC[N@H+](CC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=C1)C(C)C	REAL300002398211	0	55	0.0	-71.70	409.89	9.58	-62.12
CC[N@@H+](CC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=C1)C(C)C	REAL300002398211	1	55	0.0	-71.98	408.87	9.49	-62.49
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300002398236	0	50	0.0	-65.54	392.10	8.92	-56.62
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300002398236	1	50	0.0	-66.05	393.83	8.99	-57.06
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C=N1	REAL300002398237	0	51	0.0	-72.74	388.82	8.17	-64.57
C[NH+]1CCN(C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C2=CC=CC=C2)CC1	REAL300002398265	1	55	0.0	-63.47	422.40	7.84	-55.63
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C=N1	REAL300002398266	0	54	0.0	-65.13	384.29	6.33	-58.80
CCC(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)[NH+](CC)CC	REAL300002398270	0	48	0.0	-56.93	356.72	6.94	-49.99
CC(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002398272	1	49	0.0	-60.83	382.51	8.48	-52.35
CC(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002398272	1	49	0.0	-61.88	383.74	8.53	-53.35
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C=N1	REAL300002398283	0	56	0.0	-68.39	431.20	10.52	-57.87
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C=N1	REAL300002398283	1	56	0.0	-61.01	426.37	10.79	-50.22
C[NH+](C)CC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=N1	REAL300002398309	0	45	0.0	-69.56	362.95	6.17	-63.39
CCC[NH+](CCC)CCCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398319	0	54	0.0	-66.30	407.08	8.47	-57.83
CC[N@H+](C)C(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300002398321	1	49	0.0	-56.43	382.14	8.65	-47.78
CC[N@@H+](C)C(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300002398321	1	49	0.0	-57.74	380.03	8.64	-49.10
CC[NH+](CC)C(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300002398326	0	52	0.0	-57.90	388.36	8.95	-48.95
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398333	1	44	0.0	-57.55	353.19	7.22	-50.33
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=N1	REAL300002398350	0	50	0.0	-71.68	391.94	9.18	-62.50
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=N1	REAL300002398357	0	53	0.0	-67.57	407.25	9.82	-57.75
CCN1CCC([NH+]2CCC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)CC2)CC1	REAL300002398363	0	61	0.0	-67.58	438.79	7.11	-60.47
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C=N1	REAL300002398383	1	54	0.0	-74.15	415.10	8.87	-65.28
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C=N1	REAL300002398383	1	54	0.0	-72.77	423.36	9.00	-63.77
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=N1	REAL300002398398	1	53	0.0	-60.00	396.83	9.44	-50.56
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=N1	REAL300002398398	1	53	0.0	-58.51	406.19	9.63	-48.88
CC1=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002398400	1	44	0.0	-74.44	366.34	6.52	-67.92
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=N1	REAL300002398408	0	53	0.0	-72.03	408.68	9.89	-62.14
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=N1	REAL300002398421	1	46	0.0	-72.07	372.42	6.64	-65.43
C[NH+](C)CCC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=C1	REAL300002398422	0	49	0.0	-75.07	391.21	8.96	-66.11
CC(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002398447	1	59	0.0	-60.74	441.88	10.89	-49.85
C[N@H+](CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)CC(C)(C)C	REAL300002398499	0	48	0.0	-62.08	356.83	6.95	-55.13
C[N@@H+](CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)CC(C)(C)C	REAL300002398499	1	48	0.0	-61.70	357.33	7.03	-54.67
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398501	1	49	0.0	-65.98	386.68	8.93	-57.05
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398501	1	49	0.0	-65.96	386.69	8.93	-57.03
COCCOCC[N@H+](C)CCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398502	0	53	0.0	-66.05	417.16	5.16	-60.89
COCCOCC[N@@H+](C)CCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398502	1	53	0.0	-66.63	417.17	5.16	-61.47
C[N@@H+]1CCCC(O)(CC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300002398506	0	47	0.0	-64.33	356.44	4.89	-59.44
C[N@H+]1CCCC(O)(CC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300002398506	1	47	0.0	-64.82	345.28	4.65	-60.17
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C=N1	REAL300002398523	0	58	0.0	-71.11	443.30	8.68	-62.43
CCCCCC[N@H+](C)CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398527	0	51	0.0	-63.55	392.71	8.31	-55.24
CCCCCC[N@@H+](C)CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398527	1	51	0.0	-63.64	392.72	8.31	-55.33
CC(C)(C(=O)[O-])N1C=C(NC(=O)C23CCC[NH+]2CCC3)C=N1	REAL300002398537	0	44	0.0	-58.68	333.55	6.49	-52.19
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=N1	REAL300002398545	1	38	0.0	-69.04	317.97	8.00	-61.04
C[N@H+](CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1CCSC1	REAL300002398562	1	44	0.0	-66.57	347.03	6.72	-59.85
C[N@@H+](CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1CCSC1	REAL300002398562	1	44	0.0	-67.04	348.26	6.80	-60.24
CC(C)[NH+]1CCN(CCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300002398577	0	54	0.0	-64.36	404.35	5.72	-58.64
CC(C)[NH+]1CCN(CCCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300002398578	0	57	0.0	-65.33	427.44	6.61	-58.72
CC(C)N1CC[NH+](CCCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300002398578	1	57	0.0	-66.40	421.22	6.29	-60.11
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCCC3CCC[N@@H+]32)C=N1	REAL300002398579	0	47	0.0	-59.17	344.18	7.02	-52.15
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCCC3CCC[N@H+]32)C=N1	REAL300002398579	1	47	0.0	-54.70	351.90	7.30	-47.40
C[NH+](C)CCN1C=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=N1	REAL300002398581	0	46	0.0	-74.32	374.89	6.12	-68.20
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)CC2)=C1	REAL300002398589	0	58	0.0	-70.12	443.20	8.54	-61.58
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=N1	REAL300002398591	0	55	0.0	-70.03	421.79	7.88	-62.15
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C=N1	REAL300002398594	0	52	0.0	-67.42	397.38	8.09	-59.33
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C=N1	REAL300002398594	1	52	0.0	-67.99	404.97	7.86	-60.13
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300002398623	0	53	0.0	-69.90	412.69	9.69	-60.21
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300002398623	1	53	0.0	-69.79	413.13	9.70	-60.09
C[NH+](C)CCN1C=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=N1	REAL300002398639	0	46	0.0	-74.35	372.25	6.01	-68.34
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398640	0	46	0.0	-60.02	368.75	6.01	-54.01
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398646	1	47	0.0	-59.09	374.95	7.76	-51.33
CC[C@@H]1[C@@H](C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC[N@@H+]1C	REAL300002398649	0	46	0.0	-65.53	344.55	6.16	-59.37
CC[C@@H]1[C@@H](C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC[N@H+]1C	REAL300002398649	1	46	0.0	-65.00	350.08	6.46	-58.54
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=NN1	REAL300002398652	1	47	0.0	-72.29	374.79	5.61	-66.68
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=NN1	REAL300002398652	1	47	0.0	-70.40	370.12	5.13	-65.27
CC1C[N@H+](C)CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)O1	REAL300002398661	1	44	0.0	-76.80	348.52	5.77	-71.03
CC1C[N@@H+](C)CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)O1	REAL300002398661	1	44	0.0	-71.90	338.87	5.13	-66.77
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C=N1	REAL300002398667	0	53	0.0	-67.79	410.31	9.99	-57.80
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C=N1	REAL300002398667	1	53	0.0	-67.74	415.07	9.72	-58.02
CC(C[NH+]1CCOCC1)C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398673	1	47	0.0	-65.65	360.32	5.25	-60.40
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C=N1	REAL300002398674	0	54	0.0	-69.43	418.11	7.22	-62.21
CC1CC[NH+](CC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300002398684	1	46	0.0	-64.35	353.55	7.13	-57.22
CC[N@@H+]1CCOC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300002398699	1	44	0.0	-67.76	344.16	5.54	-62.22
CC[N@H+]1CCOC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300002398699	1	44	0.0	-59.17	337.05	5.35	-53.82
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=N1	REAL300002398739	0	53	0.0	-63.67	393.53	8.42	-55.25
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C=N1	REAL300002398739	1	53	0.0	-64.71	394.33	8.41	-56.30
C[N@@H+]1CCCC1CCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398746	0	46	0.0	-66.20	351.14	6.83	-59.37
C[N@H+]1CCCC1CCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398746	1	46	0.0	-64.52	349.53	6.52	-58.00
CC(C)(C(=O)[O-])N1C=C(NC(=O)C23CCC[NH+](CCC2)C3)C=N1	REAL300002398759	0	47	0.0	-65.62	346.41	6.72	-58.90
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398763	1	44	0.0	-61.70	337.37	2.60	-59.10
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398763	1	44	0.0	-61.29	335.41	2.67	-58.62
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=N1	REAL300002398764	0	47	0.0	-58.53	349.80	7.02	-51.51
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC3CCCC[N@H+]32)C=N1	REAL300002398764	1	47	0.0	-56.24	355.12	7.39	-48.85
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398772	0	50	0.0	-62.30	371.40	5.71	-56.59
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=N1	REAL300002398777	0	53	0.0	-75.64	403.99	6.86	-68.78
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=N1	REAL300002398777	1	53	0.0	-76.62	414.60	7.43	-69.19
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=C2)CC1	REAL300002398782	0	55	0.0	-71.17	427.35	7.53	-63.64
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)C=C2)CC1	REAL300002398783	0	55	0.0	-70.69	427.34	7.54	-63.15
CN1CC[NH+](CC2=CC=C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)C=C2)CC1	REAL300002398783	1	55	0.0	-72.83	425.21	7.33	-65.50
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=C1	REAL300002398784	0	56	0.0	-71.06	433.72	9.27	-61.79
CC(C)[NH+]1CCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300002398792	0	49	0.0	-64.79	367.89	7.38	-57.41
CC(C)(C(=O)[O-])N1C=C(NC(=O)C23CC[N@H+](C2)CCC3)C=N1	REAL300002398879	0	44	0.0	-64.79	329.47	5.68	-59.11
CC(C)(C(=O)[O-])N1C=C(NC(=O)C23CC[N@@H+](C2)CCC3)C=N1	REAL300002398879	1	44	0.0	-65.63	331.08	5.74	-59.89
CC1CCC(C)[NH+]1CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002398932	0	46	0.0	-60.33	335.23	6.13	-54.20
C[NH+](C)CC1=CC=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=C1	REAL300002398933	0	46	0.0	-68.88	367.14	8.03	-60.85
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300002398934	0	53	0.0	-62.15	402.43	9.86	-52.29
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300002398934	1	53	0.0	-64.43	410.09	9.71	-54.72
C#CC[NH+]1CCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300002399004	0	45	0.0	-69.98	359.85	7.43	-62.55
CCC[N@@H+]1CCCCC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002399006	0	49	0.0	-57.70	368.87	7.47	-50.23
CCC[N@H+]1CCCCC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002399006	1	49	0.0	-59.87	359.42	7.28	-52.59
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002399007	0	46	0.0	-54.83	359.83	8.26	-46.57
CC[NH+]1CCN(CCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300002399009	0	51	0.0	-66.89	386.44	5.05	-61.84
CCN1CC[NH+](CCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300002399009	1	51	0.0	-65.78	387.61	5.20	-60.58
CC(C)C(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)[NH+]1CCCCC1	REAL300002399011	0	52	0.0	-60.46	382.89	8.44	-52.02
C[NH+](C)C(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300002399012	1	46	0.0	-58.24	363.72	8.03	-50.21
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300002399016	0	51	0.0	-62.70	402.79	6.00	-56.70
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300002399016	1	51	0.0	-63.14	402.70	6.00	-57.14
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002399022	1	47	0.0	-58.68	374.41	7.70	-50.98
C[NH+](C)CC1=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)OC2=CC=CC=C21	REAL300002399023	0	49	0.0	-59.52	392.80	8.33	-51.19
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=N1	REAL300002399029	0	50	0.0	-60.57	364.35	7.68	-52.89
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=N1	REAL300002399029	1	50	0.0	-59.31	374.59	7.94	-51.37
CC(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)[NH+]1CCCCCC1	REAL300002399060	0	49	0.0	-59.07	360.66	7.06	-52.01
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=CC=C1N2	REAL300002399098	1	51	0.0	-73.76	401.96	8.47	-65.29
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=CC=C1N2	REAL300002399098	1	51	0.0	-73.63	402.10	8.45	-65.18
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)O1	REAL300002399154	0	49	0.0	-68.61	386.40	7.53	-61.08
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCCC[NH+]2CCCC2)C=N1	REAL300002399155	0	49	0.0	-66.41	380.32	7.86	-58.55
CC1=CC=C(N2CCC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)CC2)[NH+]=C1	REAL300002399157	1	52	0.0	-62.89	401.60	7.55	-55.34
C[N@H+](CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)CC1=CC=CC=C1	REAL300002399158	1	46	0.0	-68.05	367.25	8.23	-59.82
C[N@@H+](CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)CC1=CC=CC=C1	REAL300002399158	1	46	0.0	-66.37	365.65	8.14	-58.23
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)C=C2)CC1	REAL300002399162	0	58	0.0	-72.41	436.74	8.48	-63.93
C[NH+](C)CC1=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=NO1	REAL300002399213	1	42	0.0	-73.51	348.09	5.58	-67.93
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002399217	0	53	0.0	-67.72	410.28	9.49	-58.23
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002399217	1	53	0.0	-67.58	410.71	9.56	-58.02
CC(C)[N@@H+]1CCCC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002399236	0	46	0.0	-62.81	348.89	6.78	-56.03
CC(C)[N@H+]1CCCC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002399236	1	46	0.0	-59.01	340.32	6.59	-52.42
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=C1	REAL300002399243	0	54	0.0	-72.31	431.47	9.01	-63.30
C[NH+]1CCC(OCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300002399264	0	47	0.0	-71.88	370.55	6.62	-65.26
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=N1	REAL300002399269	0	50	0.0	-69.39	395.65	8.21	-61.18
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)[C@@H](C(F)(F)F)C1	REAL300002399314	0	52	0.0	-65.97	401.50	7.69	-58.28
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)[C@@H](C(F)(F)F)C1	REAL300002399314	1	52	0.0	-64.41	402.56	7.95	-56.46
CCC[N@@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300002399466	0	49	0.0	-57.81	365.05	7.71	-50.10
CCC[N@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300002399466	1	49	0.0	-63.36	371.27	7.49	-55.87
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002399499	0	49	0.0	-58.78	367.92	7.21	-51.57
CC(C)C[N@H+]1CCCC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300002399499	1	49	0.0	-64.08	374.25	7.76	-56.32
CC(C)(C(=O)[O-])N1C=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=N1	REAL300002399602	0	54	0.0	-69.53	417.71	10.00	-59.53
CC(C)(C(=O)[O-])N1C=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=N1	REAL300002399602	1	54	0.0	-70.55	420.39	10.01	-60.54
CC(C)[N@@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300002399740	0	49	0.0	-61.33	366.43	7.26	-54.07
CC(C)[N@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300002399740	1	49	0.0	-61.59	366.43	7.26	-54.33
C[N@@H+]1CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C(C(F)(F)F)C1	REAL300002399741	0	43	0.0	-74.14	340.76	6.70	-67.44
C[N@H+]1CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C(C(F)(F)F)C1	REAL300002399741	1	43	0.0	-65.55	346.38	6.02	-59.53
CC1=C(C)[NH+]=C(CCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)N1	REAL300002399765	1	44	0.0	-61.05	360.83	5.91	-55.14
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=C1	REAL300002400270	0	49	0.0	-71.17	391.22	8.95	-62.22
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=C1	REAL300002400278	0	50	0.0	-71.58	396.92	7.83	-63.75
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=N1	REAL300002400379	0	56	0.0	-65.28	428.70	10.49	-54.79
CC1CN(CC2=CC=C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)C=C2)CCO1	REAL300002400381	0	54	0.0	-73.81	413.06	8.15	-65.66
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)C=C2)CCO1	REAL300002400381	1	54	0.0	-73.92	413.10	8.14	-65.78
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)C=C2)CCO1	REAL300002400381	1	54	0.0	-73.92	413.10	8.14	-65.78
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300002400428	0	49	0.0	-62.08	361.90	7.25	-54.83
CC1=[NH+]C=C2C=CC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=CN21	REAL300002400432	0	41	0.0	-60.83	339.13	7.75	-53.08
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300002400496	0	52	0.0	-58.52	383.95	8.46	-50.06
CC(C)C[N@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300002400496	1	52	0.0	-63.87	390.43	8.24	-55.63
CC[N@@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300002400497	0	46	0.0	-57.89	345.00	7.01	-50.88
CC[N@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300002400497	1	46	0.0	-58.31	344.97	7.01	-51.30
C[NH+](C)CC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)O1	REAL300002400503	1	43	0.0	-70.48	355.10	6.44	-64.04
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300002400509	0	52	0.0	-69.08	371.37	7.20	-61.88
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300002400509	1	52	0.0	-68.12	379.02	7.65	-60.47
CC(C)(C(=O)[O-])N1C=C(NC(=O)C23CC(C2)CN3C2CC2)C=N1	REAL300002400512	0	45	0.0	-59.30	344.78	7.59	-51.71
CC(C)(C(=O)[O-])N1C=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=N1	REAL300002400512	1	45	0.0	-58.15	347.14	7.26	-50.89
CC(C)(C(=O)[O-])N1C=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=N1	REAL300002400512	1	45	0.0	-59.30	344.78	7.59	-51.71
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=NC=CC=C2C(F)(F)F)C1	REAL300002400679	1	46	0.0	-50.26	375.57	5.52	-44.74
CCC(C)(C)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002400805	1	55	0.0	-44.44	399.01	9.75	-34.69
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCOC(C3=CC=CC=C3)C2)C1	REAL300002400982	1	51	0.0	-49.26	389.22	8.57	-40.69
COCC(CC1=CC=CC=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002401100	0	53	0.0	-43.35	392.73	10.02	-33.33
COCC(CC1=CC=CC=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002401100	1	53	0.0	-46.44	396.49	10.46	-35.98
COC1=CC=C([N+](=O)[O-])C=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002401218	0	46	0.0	-51.46	367.14	7.40	-44.06
COC1=CC=C([N+](=O)[O-])C=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002401218	1	46	0.0	-54.11	373.33	7.42	-46.69
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=C(C)ON=C1C	REAL300002401338	0	48	0.0	-49.40	354.30	7.18	-42.22
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=C(C)ON=C1C	REAL300002401338	1	48	0.0	-51.82	363.53	7.77	-44.05
CC1=CC(C)=CC(C2=CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300002401458	0	54	0.0	-48.18	410.99	12.39	-35.79
CC1=CC(C)=CC(C2=CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300002401458	1	54	0.0	-49.27	410.92	12.41	-36.86
CC1=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)SC=C1	REAL300002401553	0	43	0.0	-50.06	340.82	7.82	-42.24
CC1=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)SC=C1	REAL300002401553	1	43	0.0	-49.95	346.83	7.83	-42.12
O=C([O-])C1CCC[N@H+](CC(=O)N2CCSC3(CCOCC3)C2)C1	REAL300002401661	0	49	0.0	-51.46	355.55	8.11	-43.35
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCSC3(CCOCC3)C2)C1	REAL300002401661	1	49	0.0	-50.02	349.33	8.09	-41.93
CC(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002402896	0	56	0.0	-65.03	423.55	12.24	-52.79
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002403575	0	53	0.0	-48.81	400.04	11.05	-37.76
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002403575	1	53	0.0	-53.48	410.19	11.46	-42.02
CC(CNC(=O)C1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404504	0	50	0.0	-59.83	376.25	10.08	-49.75
CC(CNC(=O)C1CCC[N@@H+]1C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404533	0	47	0.0	-45.82	353.38	9.05	-36.77
CC(CNC(=O)C1CCC[N@H+]1C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404533	1	47	0.0	-50.64	356.79	8.66	-41.98
CC1=[NH+]C=C2CCC(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)CN21	REAL300002404539	1	48	0.0	-55.51	374.66	9.58	-45.93
CC(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404540	0	56	0.0	-54.18	430.06	11.99	-42.19
C[N@@H+]1CCCCC1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002404622	0	46	0.0	-50.10	348.27	8.40	-41.70
C[N@H+]1CCCCC1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002404622	1	46	0.0	-53.39	338.95	8.24	-45.15
CC(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300002404623	1	51	0.0	-63.51	375.73	6.84	-56.67
C[N@@H+]1CCCC[C@H]1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002404667	0	46	0.0	-50.59	342.90	8.63	-41.96
C[N@H+]1CCCC[C@H]1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002404667	1	46	0.0	-53.35	338.95	8.24	-45.11
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300002404714	0	59	0.0	-70.16	460.38	11.57	-58.59
CC(CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404726	0	59	0.0	-48.43	434.68	12.70	-35.73
C[NH+]1CCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002404760	0	46	0.0	-63.72	347.01	8.67	-55.05
CC(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404786	0	41	0.0	-64.51	336.48	10.31	-54.20
C[NH+](C)CC1(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CCCCC1	REAL300002404820	0	55	0.0	-47.35	391.00	10.46	-36.89
C[N@H+](CCC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300002404825	0	55	0.0	-59.12	404.72	10.39	-48.73
C[N@@H+](CCC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300002404825	1	55	0.0	-59.65	404.73	10.41	-49.24
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404843	1	56	0.0	-55.86	431.39	12.01	-43.85
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404843	1	56	0.0	-52.68	427.20	12.13	-40.55
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404844	1	53	0.0	-52.34	412.76	11.81	-40.53
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404844	1	53	0.0	-54.24	411.13	11.68	-42.56
C[NH+]1CCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002404896	0	46	0.0	-63.72	347.01	8.67	-55.05
CC(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404901	0	49	0.0	-69.07	390.09	9.67	-59.40
CC(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404925	0	56	0.0	-47.23	397.81	10.81	-36.42
CC(CNC(=O)C1CCCC[N@H+]1C1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404925	1	56	0.0	-49.65	403.88	10.62	-39.03
CC(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404926	0	57	0.0	-54.56	411.51	8.93	-45.63
CC1=[NH+]C=CN1CCCC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002404959	1	47	0.0	-56.96	373.14	9.81	-47.15
CC(CNC(=O)CCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002404960	1	53	0.0	-65.56	400.67	8.60	-56.96
CC[N@H+](CC1=CC=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300002404963	0	58	0.0	-67.83	429.45	11.74	-56.09
CC[N@@H+](CC1=CC=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300002404963	1	58	0.0	-71.00	424.60	11.66	-59.34
CC(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405011	0	53	0.0	-60.55	411.24	11.25	-49.30
CC(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405011	1	53	0.0	-60.68	411.32	11.31	-49.37
CC(CNC(=O)C1CC[NH+](C2CCSC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405012	0	54	0.0	-67.04	402.18	10.64	-56.40
C[NH+]1CCN(C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300002405040	1	58	0.0	-65.39	439.72	10.11	-55.28
CC(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405041	0	57	0.0	-60.30	403.05	8.66	-51.64
CCC(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+](CC)CC	REAL300002405045	0	51	0.0	-45.89	368.34	9.21	-36.68
CC(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002405047	0	52	0.0	-51.69	395.92	11.01	-40.68
CC(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002405047	1	52	0.0	-54.70	401.20	10.82	-43.88
CC(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405059	0	59	0.0	-53.54	439.81	13.26	-40.28
CC(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405059	1	59	0.0	-61.47	444.58	13.11	-48.36
C[NH+](C)CC1=CC=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300002405082	0	48	0.0	-70.72	380.25	8.84	-61.88
CCC[NH+](CCC)CCCC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002405091	0	57	0.0	-62.42	428.87	11.03	-51.39
CC(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405092	1	57	0.0	-45.35	430.31	8.94	-36.41
CC[N@H+](C)C(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300002405093	0	52	0.0	-47.88	398.83	10.97	-36.91
CC[N@@H+](C)C(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300002405093	1	52	0.0	-46.05	388.46	11.04	-35.01
C[N@@H+]1CCOC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002405095	1	44	0.0	-57.27	331.23	7.35	-49.92
C[N@H+]1CCOC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002405095	1	44	0.0	-62.14	339.56	7.38	-54.76
CC[NH+](CC)C(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300002405098	0	55	0.0	-53.29	405.01	11.16	-42.13
CC(C)C1=[NH+]C=CN1CC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002405107	1	47	0.0	-48.76	366.59	9.77	-38.99
C[NH+](C)C(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300002405112	1	49	0.0	-52.94	392.39	11.05	-41.89
CC(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405125	0	53	0.0	-71.25	409.27	11.45	-59.80
CC(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405133	0	56	0.0	-67.18	422.12	12.35	-54.83
C[NH+](C)CC1(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002405140	0	46	0.0	-46.63	358.11	8.59	-38.04
C[NH+](C)CCCCC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002405150	0	48	0.0	-63.47	367.53	9.06	-54.41
CC(C)C(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+](C)C	REAL300002405159	0	48	0.0	-53.08	355.75	9.04	-44.04
CC(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405161	1	57	0.0	-65.72	429.73	11.40	-54.32
CC(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405161	1	57	0.0	-68.62	436.74	11.54	-57.08
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CC1=CC=C(N2CCC(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)CC2)[NH+]=C1	REAL300002405944	1	55	0.0	-60.15	416.44	10.08	-50.07
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CC(C)[C@@H](C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+](C)C	REAL300002405956	0	48	0.0	-50.96	354.13	8.50	-42.46
CC(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002405973	1	44	0.0	-71.33	361.70	8.45	-62.88
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C[NH+]1CCC(OCC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002406050	0	50	0.0	-69.06	386.25	8.90	-60.16
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CCC[N@@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002406254	0	52	0.0	-58.83	390.08	9.84	-48.99
CCC[N@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002406254	1	52	0.0	-56.94	384.68	10.07	-46.87
CC(C)C[N@@H+]1CCCC1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002406286	0	52	0.0	-53.35	385.26	9.47	-43.88
CC(C)C[N@H+]1CCCC1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002406286	1	52	0.0	-53.28	385.27	9.48	-43.80
CC(CNC(=O)C[NH+]1CCC(CO)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002406287	1	50	0.0	-54.98	380.10	5.99	-48.99
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CC(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)(C(=O)[O-])C1=CC=CC=C1	REAL300002406394	1	57	0.0	-65.44	437.19	12.23	-53.21
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002406439	1	56	0.0	-54.40	416.61	12.11	-42.29
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002406439	1	56	0.0	-48.72	417.77	11.97	-36.75
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CC(C)[N@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002406530	1	52	0.0	-57.37	385.19	9.61	-47.76
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CC(C)C[N@@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002407293	0	55	0.0	-56.00	403.58	10.70	-45.30
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CC[N@@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002407294	0	49	0.0	-59.96	368.56	9.10	-50.86
CC[N@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002407294	1	49	0.0	-59.96	368.56	9.10	-50.86
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CC(C)C(C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)[NH+](C)C	REAL300002410319	0	49	0.0	-73.61	382.45	8.57	-65.04
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CCC[N@H+](C)CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410349	0	46	0.0	-78.98	373.84	8.26	-70.72
CCC[N@@H+](C)CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410349	1	46	0.0	-79.25	373.84	8.26	-70.99
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CC(C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)[NH+]1CCSCC1	REAL300002410388	1	48	0.0	-80.32	389.98	8.70	-71.62
C[N@H+](CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)CC(C)(C)C	REAL300002410390	0	52	0.0	-78.61	402.45	9.25	-69.36
C[N@@H+](CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)CC(C)(C)C	REAL300002410390	1	52	0.0	-78.99	404.39	9.41	-69.58
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410392	0	53	0.0	-83.05	433.75	11.30	-71.75
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410392	1	53	0.0	-82.71	433.75	11.30	-71.41
CC[C@@H](C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)[NH+](C)C	REAL300002410395	0	46	0.0	-78.25	365.26	7.86	-70.39
C[N@@H+]1CCCC(O)(CC(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002410397	0	51	0.0	-80.44	395.27	7.00	-73.44
C[N@H+]1CCCC(O)(CC(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002410397	1	51	0.0	-80.06	404.98	7.21	-72.85
CCCCCC[N@H+](C)CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410417	0	55	0.0	-79.93	438.33	10.61	-69.32
CCCCCC[N@@H+](C)CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410417	1	55	0.0	-80.28	438.33	10.61	-69.67
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C[N@H+](CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CCSC1	REAL300002410446	0	48	0.0	-82.32	394.10	9.09	-73.23
C[N@@H+](CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CCSC1	REAL300002410446	1	48	0.0	-84.81	393.88	9.10	-75.71
CC(C)[NH+]1CCN(CCC(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002410461	0	58	0.0	-80.63	449.96	8.03	-72.60
CC(C)N1CC[NH+](CCC(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002410461	1	58	0.0	-82.30	446.27	7.83	-74.47
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C3CCCC4CCC[N@@H+]43)=C2)C=C1	REAL300002410462	0	51	0.0	-75.23	391.33	9.43	-65.80
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C[NH+](C)CCN1C=C(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300002410463	0	50	0.0	-91.63	418.98	8.35	-83.28
CCCC(C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)[NH+](C)C	REAL300002410488	0	49	0.0	-75.66	389.92	9.23	-66.43
C[NH+](C)CCN1C=CC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300002410501	0	50	0.0	-91.34	419.30	8.35	-82.99
C[NH+](C)CCN1N=CC=C1C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410502	0	50	0.0	-78.20	414.38	8.33	-69.87
C[C@@H]1[C@H](C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC[N@@H+]1C	REAL300002410505	0	47	0.0	-78.43	372.13	8.05	-70.38
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CC[C@@H]1[C@@H](C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC[N@@H+]1C	REAL300002410510	0	50	0.0	-84.08	391.31	8.57	-75.51
CC[C@@H]1[C@@H](C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC[N@H+]1C	REAL300002410510	1	50	0.0	-82.40	395.26	9.10	-73.30
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CC1C[N@H+](C)CC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300002410518	1	48	0.0	-92.95	393.17	8.04	-84.91
CC1C[N@@H+](C)CC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300002410518	1	48	0.0	-91.75	386.53	8.02	-83.73
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CC1=[NH+]C=CN1CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410526	1	42	0.0	-75.61	364.04	8.47	-67.14
CC(C[NH+]1CCOCC1)C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410528	0	51	0.0	-82.41	405.98	7.58	-74.83
CC1CC[NH+](CC(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002410547	0	50	0.0	-79.32	397.57	9.35	-69.97
CC[N@@H+]1CCOC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002410558	1	48	0.0	-82.77	389.77	7.95	-74.82
CC[N@H+]1CCOC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002410558	1	48	0.0	-87.69	382.74	7.79	-79.90
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C3CC[N@@H+](C4CCCCC4)C3)=C2)C=C1	REAL300002410588	0	57	0.0	-78.54	439.28	10.73	-67.81
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C3CC[N@H+](C4CCCCC4)C3)=C2)C=C1	REAL300002410588	1	57	0.0	-78.07	439.34	10.75	-67.32
C[N@@H+]1CCCC1CCC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410593	0	50	0.0	-80.36	402.05	9.36	-71.00
C[N@H+]1CCCC1CCC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410593	1	50	0.0	-82.29	396.62	8.89	-73.40
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C[N@@H+]1CC(O)CC1(C)C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410605	0	48	0.0	-85.98	382.93	4.92	-81.06
C[N@H+]1CC(O)CC1(C)C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410605	1	48	0.0	-78.44	381.04	5.01	-73.43
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O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C3CCC4CCCC[N@H+]43)=C2)C=C1	REAL300002410606	1	51	0.0	-73.35	402.52	9.79	-63.56
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410613	0	54	0.0	-81.81	415.47	7.94	-73.87
CC[NH+](CC)CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410628	0	46	0.0	-76.90	366.25	7.94	-68.96
CC(C)[NH+]1CCC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002410630	0	53	0.0	-79.70	409.85	9.47	-70.23
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C34CC[NH+](CC3)C4)=C2)C=C1	REAL300002410706	0	45	0.0	-82.20	366.29	7.37	-74.83
CCC(C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)[NH+](C)C	REAL300002410709	0	46	0.0	-74.63	364.91	7.88	-66.75
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C34CC[N@H+](C3)CCC4)=C2)C=C1	REAL300002410717	0	48	0.0	-80.23	376.60	8.08	-72.15
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C34CC[N@@H+](C3)CCC4)=C2)C=C1	REAL300002410717	1	48	0.0	-83.23	376.25	8.06	-75.17
CC1CCC(C)[NH+]1CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410756	0	50	0.0	-75.69	391.75	8.87	-66.82
C[NH+](C)CC1=CC=CC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300002410757	0	50	0.0	-84.90	412.77	10.35	-74.55
C[NH+](C)C1(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CCC1	REAL300002410786	0	47	0.0	-84.89	368.85	8.02	-76.87
C#CC[NH+]1CCC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002410808	0	49	0.0	-84.54	403.87	9.66	-74.88
CCC[N@@H+]1CCCCC1C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410810	0	53	0.0	-77.50	406.51	9.67	-67.83
CCC[N@H+]1CCCCC1C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410810	1	53	0.0	-77.20	415.95	9.84	-67.36
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410811	0	50	0.0	-70.49	405.49	10.56	-59.93
CC[NH+]1CCN(CCC(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002410813	0	55	0.0	-82.41	432.72	7.48	-74.93
CCN1CC[NH+](CCC(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002410813	1	55	0.0	-81.48	433.27	7.51	-73.97
CC(C)[N@H+](C)CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410814	0	46	0.0	-76.39	369.03	8.04	-68.35
CC(C)[N@@H+](C)CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410814	1	46	0.0	-77.22	369.03	8.06	-69.16
CC(C)C(C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)[NH+]1CCCCC1	REAL300002410815	0	56	0.0	-71.39	422.83	10.50	-60.89
C[NH+](C)C(C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1=CC=CC=C1	REAL300002410816	1	50	0.0	-81.17	409.30	10.36	-70.81
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410822	1	51	0.0	-76.08	420.02	10.01	-66.07
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C3CCC[N@@H+]3C3CCCC3)=C2)C=C1	REAL300002410828	0	54	0.0	-75.02	421.87	10.49	-64.53
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C3CCC[N@H+]3C3CCCC3)=C2)C=C1	REAL300002410828	1	54	0.0	-76.01	412.15	10.28	-65.73
CC[N@H+](CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CC1	REAL300002410830	0	47	0.0	-75.30	383.20	8.89	-66.41
CC[N@@H+](CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CC1	REAL300002410830	1	47	0.0	-75.99	380.98	8.87	-67.12
CC(C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)[NH+]1CCCCCC1	REAL300002410846	0	53	0.0	-77.05	405.70	9.64	-67.41
C[N@@H+]1CCC[C@H]1C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410849	0	44	0.0	-75.99	360.58	7.91	-68.08
C[N@H+]1CCC[C@H]1C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410849	1	44	0.0	-74.45	354.67	7.40	-67.05
CC(C)(C)[NH2+]CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410905	0	46	0.0	-78.00	373.62	6.57	-71.43
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300002410906	0	53	0.0	-84.26	430.44	9.75	-74.51
O=C([O-])C1=NN(C2=CC(CNC(=O)CCCC[NH+]3CCCC3)=CC=C2)C=C1	REAL300002410907	0	53	0.0	-83.25	425.94	10.16	-73.09
C[N@H+](CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)CC1=CC=CC=C1	REAL300002410909	1	50	0.0	-82.49	411.27	10.44	-72.05
C[N@@H+](CC(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)CC1=CC=CC=C1	REAL300002410909	1	50	0.0	-82.99	411.32	10.45	-72.54
CC(C)[C@@H](C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)[NH+](C)C	REAL300002410917	0	49	0.0	-80.91	383.33	9.11	-71.80
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C[NH+](C)CC1=CC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=NO1	REAL300002410950	1	46	0.0	-89.88	393.72	7.89	-81.99
CC(C)[N@@H+]1CCCC1C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410961	0	50	0.0	-74.30	392.60	8.91	-65.39
CC(C)[N@H+]1CCCC1C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002410961	1	50	0.0	-75.17	393.61	8.97	-66.20
C[NH+]1CCC(OCC(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002410979	0	51	0.0	-88.89	414.62	8.95	-79.94
CCC[N@@H+]1CCCC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002411112	0	53	0.0	-79.76	418.35	9.86	-69.90
CCC[N@H+]1CCCC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002411112	1	53	0.0	-79.50	418.41	9.87	-69.63
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002411132	0	53	0.0	-76.71	419.28	10.07	-66.64
CC(C)C[N@H+]1CCCC1C(=O)NCC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002411132	1	53	0.0	-76.46	419.38	10.05	-66.41
O=C([O-])C1=NN(C2=CC(CNC(=O)C[NH+]3CCC(CO)CC3)=CC=C2)C=C1	REAL300002411133	0	51	0.0	-80.64	408.40	6.04	-74.60
CC(C)[N@@H+]1CCCC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002411306	0	53	0.0	-71.97	407.25	9.85	-62.12
CC(C)[N@H+]1CCCC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002411306	1	53	0.0	-71.70	407.29	9.85	-61.85
C[N@@H+]1CC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C(F)(F)F)C1	REAL300002411307	0	47	0.0	-80.89	398.56	8.60	-72.29
C[N@H+]1CC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C(F)(F)F)C1	REAL300002411307	1	47	0.0	-77.54	391.99	8.36	-69.18
CC1=C(C)[NH+]=C(CCC(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N1	REAL300002411330	1	48	0.0	-75.92	404.90	8.15	-67.77
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300002411688	0	53	0.0	-86.78	435.26	11.18	-75.60
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002411799	0	47	0.0	-85.08	384.21	8.59	-76.49
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002411803	0	53	0.0	-84.78	406.97	9.54	-75.24
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002411855	0	56	0.0	-79.86	435.76	10.57	-69.29
CC(C)C[N@H+]1CCCC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002411855	1	56	0.0	-79.86	435.76	10.57	-69.29
CC[N@@H+]1CCCC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002411856	0	50	0.0	-79.04	396.89	9.13	-69.91
CC[N@H+]1CCCC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002411856	1	50	0.0	-79.04	396.89	9.13	-69.91
C[N@@H+]1CCCC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002411861	0	47	0.0	-80.65	379.23	8.46	-72.19
C[N@H+]1CCCC(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002411861	1	47	0.0	-80.65	379.23	8.46	-72.19
CN(C)CC1=CC=C(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300002411863	0	47	0.0	-85.58	398.10	8.56	-77.02
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300002411863	1	47	0.0	-85.58	398.10	8.56	-77.02
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002411869	0	56	0.0	-84.04	424.61	9.98	-74.06
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002411869	1	56	0.0	-84.04	424.61	9.98	-74.06
O=C([O-])C1=NN(C2=CC=CC(CNC(=O)C34CC(C3)C[N@@H+]4C3CC3)=C2)C=C1	REAL300002411872	0	49	0.0	-75.65	392.47	10.28	-65.37
CC1C(C)S(=O)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002411914	0	45	0.0	-60.71	337.54	5.78	-54.93
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC2C2=CC=CC=C2)C1	REAL300002411974	0	44	0.0	-49.23	343.66	8.83	-40.40
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300002412076	0	45	0.0	-54.45	357.75	8.56	-45.89
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300002412076	1	45	0.0	-56.98	351.53	8.53	-48.45
O=C([O-])C1=CC=C(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)O1	REAL300002413439	0	47	0.0	-74.58	379.10	9.33	-65.25
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)O1	REAL300002414221	0	44	0.0	-64.11	355.85	8.22	-55.89
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)O1	REAL300002414221	1	44	0.0	-66.02	361.62	8.74	-57.28
CC1=[NH+]C=C2CCC(C(=O)NCC3=CC=C(C(=O)[O-])O3)CN21	REAL300002415087	1	39	0.0	-64.36	325.63	6.85	-57.51
O=C([O-])C1=CC=C(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)O1	REAL300002415088	0	47	0.0	-68.66	380.53	9.22	-59.44
CC1=NC(C[NH+]2CCC(C(=O)NCC3=CC=C(C(=O)[O-])O3)CC2)=CS1	REAL300002415153	1	46	0.0	-74.28	386.09	7.02	-67.26
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300002415226	0	50	0.0	-75.34	412.08	8.85	-66.49
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)=C1	REAL300002415240	0	50	0.0	-78.49	412.87	11.17	-67.32
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)=C1	REAL300002415240	1	50	0.0	-78.16	412.88	11.18	-66.98
CC1(C(=O)NCC2=CC=C(C(=O)[O-])O2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002415241	0	50	0.0	-72.31	391.73	9.75	-62.56
O=C([O-])C1=CC=C(CNC(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300002415283	0	47	0.0	-70.20	395.91	9.52	-60.68
O=C([O-])C1=CC=C(CNC(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300002415283	1	47	0.0	-74.71	393.53	9.46	-65.25
C[NH+](C)CC1(C(=O)NCC2=CC=C(C(=O)[O-])O2)CCCCC1	REAL300002415320	0	46	0.0	-74.23	346.51	7.47	-66.76
C[N@H+](CCC(=O)NCC1=CC=C(C(=O)[O-])O1)C1CCCCC1	REAL300002415323	0	46	0.0	-71.02	356.43	7.69	-63.33
C[N@@H+](CCC(=O)NCC1=CC=C(C(=O)[O-])O1)C1CCCCC1	REAL300002415323	1	46	0.0	-71.35	356.42	7.69	-63.66
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)O1	REAL300002415403	0	40	0.0	-74.49	347.26	6.72	-67.77
C[NH+](C)CCN1N=CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)=C1C1=CC=CC=C1	REAL300002415408	0	50	0.0	-78.28	411.30	8.84	-69.44
O=C([O-])C1=CC=C(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)O1	REAL300002415434	0	47	0.0	-63.76	355.96	7.91	-55.85
O=C([O-])C1=CC=C(CNC(=O)C2CCCC[N@H+]2C2CCCC2)O1	REAL300002415434	1	47	0.0	-64.41	350.66	8.04	-56.37
O=C([O-])C1=CC=C(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)O1	REAL300002415435	0	48	0.0	-71.06	363.21	6.23	-64.83
O=C([O-])C1=CC=C(CNC(=O)CCCC[NH+]2CCOCC2)O1	REAL300002415463	1	44	0.0	-74.66	356.28	5.70	-68.96
CC[N@H+](CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1)C(C)C	REAL300002415464	0	49	0.0	-73.65	384.75	9.20	-64.45
CC[N@@H+](CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1)C(C)C	REAL300002415464	1	49	0.0	-73.70	375.51	8.77	-64.93
O=C([O-])C1=CC=C(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)O1	REAL300002415487	0	44	0.0	-72.34	362.71	8.55	-63.79
O=C([O-])C1=CC=C(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)O1	REAL300002415487	1	44	0.0	-72.30	362.97	8.61	-63.69
O=C([O-])C1=CC=C(CNC(=O)C2CC[NH+](C3CCSC3)CC2)O1	REAL300002415488	0	45	0.0	-76.77	357.39	7.67	-69.10
C[NH+]1CCN(C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C2=CC=CC=C2)CC1	REAL300002415510	1	49	0.0	-72.36	391.43	7.39	-64.97
O=C([O-])C1=CC=C(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)O1	REAL300002415511	0	48	0.0	-71.50	350.94	5.77	-65.73
CC(C(=O)NCC1=CC=C(C(=O)[O-])O1)[N@H+](C)CC1=CC=CC=C1	REAL300002415514	0	43	0.0	-69.11	353.15	8.09	-61.02
CC(C(=O)NCC1=CC=C(C(=O)[O-])O1)[N@@H+](C)CC1=CC=CC=C1	REAL300002415514	1	43	0.0	-69.91	352.97	8.07	-61.84
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)O1	REAL300002415524	0	50	0.0	-73.86	401.66	10.15	-63.71
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)O1	REAL300002415524	1	50	0.0	-69.03	395.41	10.36	-58.67
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=N1	REAL300002415555	0	39	0.0	-75.64	331.96	5.73	-69.91
CCC[NH+](CCC)CCCC(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002415566	0	48	0.0	-71.40	376.10	8.03	-63.37
O=C([O-])C1=CC=C(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)O1	REAL300002415567	1	48	0.0	-68.46	386.11	6.05	-62.41
CC[N@H+](C)C(C(=O)NCC1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300002415568	0	43	0.0	-66.19	351.44	8.22	-57.97
CC[N@@H+](C)C(C(=O)NCC1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300002415568	1	43	0.0	-66.56	350.50	8.24	-58.32
CC[NH+](CC)C(C(=O)NCC1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300002415573	0	46	0.0	-67.13	356.71	8.44	-58.69
C[NH+](C)C(C(=O)NCC1=CC=C(C(=O)[O-])O1)C1=CC=C(Cl)C=C1	REAL300002415579	1	40	0.0	-72.05	349.47	8.11	-63.94
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)O1	REAL300002415593	0	44	0.0	-76.49	360.97	8.74	-67.75
O=C([O-])C1=CC=C(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)O1	REAL300002415600	0	47	0.0	-73.26	377.73	9.44	-63.82
CCN1CCC([NH+]2CCC(C(=O)NCC3=CC=C(C(=O)[O-])O3)CC2)CC1	REAL300002415606	0	55	0.0	-71.04	408.91	6.81	-64.23
CC1C[NH+](CC2=CC=C(C(=O)NCC3=CC=C(C(=O)[O-])O3)C=C2)CC(C)O1	REAL300002415613	1	51	0.0	-79.82	411.05	8.47	-71.35
O=C([O-])C1=CC=C(CNC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)O1	REAL300002415622	1	48	0.0	-79.33	385.56	8.59	-70.74
O=C([O-])C1=CC=C(CNC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)O1	REAL300002415622	1	48	0.0	-78.62	392.34	8.64	-69.98
O=C([O-])C1=CC=C(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)O1	REAL300002415637	1	47	0.0	-66.40	376.68	9.25	-57.15
O=C([O-])C1=CC=C(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)O1	REAL300002415637	1	47	0.0	-67.23	367.23	9.09	-58.14
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=NN1C1=CC=[NH+]C=C1	REAL300002415639	1	38	0.0	-79.81	333.77	5.99	-73.82
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)O1	REAL300002415647	0	47	0.0	-76.75	377.42	9.40	-67.35
O=C([O-])C1=CC=C(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)O1	REAL300002415658	1	40	0.0	-79.01	342.50	6.27	-72.74
C[NH+](C)CCC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300002415659	0	43	0.0	-79.20	358.65	8.43	-70.77
O=C([O-])C1=CC=C(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)O1	REAL300002415667	1	45	0.0	-77.62	372.11	8.12	-69.50
O=C([O-])C1=CC=C(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)O1	REAL300002415667	1	45	0.0	-72.68	372.15	8.12	-64.56
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002415673	0	54	0.0	-69.05	422.20	10.93	-58.12
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002415673	1	54	0.0	-68.25	418.50	10.96	-57.29
CC(C(=O)NCC1=CC=C(C(=O)[O-])O1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002415682	0	53	0.0	-68.27	416.22	10.56	-57.71
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002415716	0	43	0.0	-72.82	357.15	8.53	-64.29
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002415716	1	43	0.0	-72.93	357.15	8.54	-64.39
COCCOCC[N@H+](C)CCC(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002415717	0	47	0.0	-71.42	386.14	4.73	-66.69
COCCOCC[N@@H+](C)CCC(=O)NCC1=CC=C(C(=O)[O-])O1	REAL300002415717	1	47	0.0	-72.93	386.19	4.73	-68.20
O=C([O-])C1=CC=C(CNC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)O1	REAL300002415727	0	52	0.0	-76.25	412.31	8.25	-68.00
CC(C)[NH+]1CCN(CCC(=O)NCC2=CC=C(C(=O)[O-])O2)CC1	REAL300002415763	0	48	0.0	-69.74	368.25	4.89	-64.85
CC(C)N1CC[NH+](CCC(=O)NCC2=CC=C(C(=O)[O-])O2)CC1	REAL300002415763	1	48	0.0	-71.17	370.18	5.11	-66.06
CC(C)[NH+]1CCN(CCCC(=O)NCC2=CC=C(C(=O)[O-])O2)CC1	REAL300002415764	0	51	0.0	-70.39	389.75	5.71	-64.68
CC(C)N1CC[NH+](CCCC(=O)NCC2=CC=C(C(=O)[O-])O2)CC1	REAL300002415764	1	51	0.0	-72.24	391.18	5.87	-66.37
C[NH+](C)CCN1C=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=N1	REAL300002415766	0	40	0.0	-79.71	342.32	5.60	-74.11
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC3=CC=C(C(=O)[O-])O3)CC2)=C1	REAL300002415771	0	52	0.0	-75.62	412.22	8.11	-67.51
O=C([O-])C1=CC=C(CNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)O1	REAL300002415773	0	49	0.0	-75.61	390.81	7.44	-68.17
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C[NH+](C)CCC1=CC=CC(C(=O)NCC2=CC=C(C(=O)[O-])O2)=C1	REAL300002417087	0	43	0.0	-76.87	358.66	8.43	-68.44
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])O2)C=C1	REAL300002417093	0	44	0.0	-76.20	365.95	7.37	-68.83
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CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=CC=C(C(=O)[O-])O3)C=C2)CCO1	REAL300002417170	1	48	0.0	-79.15	383.52	7.76	-71.39
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])O2)C1	REAL300002417255	0	46	0.0	-68.53	359.20	7.79	-60.74
CC(C)C[N@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])O2)C1	REAL300002417255	1	46	0.0	-68.53	359.20	7.79	-60.74
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C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002420301	0	53	0.0	-80.76	406.22	10.43	-70.33
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C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300002420314	1	53	0.0	-81.77	405.63	12.36	-69.41
CC1(C(=O)N2CCCC(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002420315	0	53	0.0	-69.71	376.81	10.69	-59.02
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CC[N@H+](CC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1)C(C)C	REAL300002420508	0	52	0.0	-80.43	375.83	10.29	-70.14
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1)C(C)C	REAL300002420508	1	52	0.0	-80.60	369.96	10.01	-70.59
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CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300002420555	0	46	0.0	-71.46	345.34	9.57	-61.89
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002420555	1	46	0.0	-71.45	345.59	9.61	-61.84
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300002420562	0	53	0.0	-79.76	396.11	11.62	-68.14
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300002420562	1	53	0.0	-58.68	395.88	11.64	-47.04
O=C([O-])C1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300002420599	1	51	0.0	-66.05	369.32	6.87	-59.18
CC[N@H+](C)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002420600	0	46	0.0	-64.97	341.11	9.52	-55.45
CC[N@@H+](C)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002420600	1	46	0.0	-64.23	338.08	9.48	-54.75
CC[NH+](CC)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002420605	0	49	0.0	-66.36	350.84	9.84	-56.52
C[NH+](C)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300002420608	1	43	0.0	-68.98	337.38	9.35	-59.63
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300002420622	0	47	0.0	-85.18	355.49	9.98	-75.20
O=C([O-])C1CCCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300002420628	0	50	0.0	-77.65	370.78	10.63	-67.02
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(C(=O)[O-])C3)CC2)CC1	REAL300002420634	0	58	0.0	-79.87	406.79	8.48	-71.39
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300002420640	1	54	0.0	-87.09	405.58	9.71	-77.38
O=C([O-])C1CCCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002420651	1	51	0.0	-84.87	387.37	10.25	-74.62
O=C([O-])C1CCCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002420651	1	51	0.0	-87.68	380.42	10.19	-77.49
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300002420666	0	50	0.0	-67.95	370.37	10.82	-57.13
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300002420666	1	50	0.0	-70.27	362.12	10.46	-59.81
CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300002420668	1	41	0.0	-71.03	324.46	7.16	-63.87
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300002420676	0	50	0.0	-85.42	372.23	10.69	-74.73
O=C([O-])C1CCCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300002420687	1	43	0.0	-80.10	334.31	8.13	-71.97
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002420688	0	46	0.0	-87.08	353.16	9.68	-77.40
O=C([O-])C1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002420695	1	48	0.0	-77.88	355.21	9.27	-68.61
O=C([O-])C1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002420695	1	48	0.0	-78.33	355.80	9.31	-69.02
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002420699	0	57	0.0	-67.70	418.93	11.22	-56.48
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002420699	1	57	0.0	-65.09	411.64	10.96	-54.13
CC(C(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002420707	0	56	0.0	-73.37	402.82	11.85	-61.52
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002420739	0	46	0.0	-74.47	351.29	10.06	-64.41
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002420739	1	46	0.0	-74.49	351.28	10.07	-64.42
COCCOCC[N@H+](C)CCC(=O)N1CCCC(C(=O)[O-])C1	REAL300002420740	0	50	0.0	-75.88	380.97	6.34	-69.54
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(C(=O)[O-])C1	REAL300002420740	1	50	0.0	-77.35	381.05	6.34	-71.01
O=C([O-])C1CCCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300002420749	0	55	0.0	-81.54	407.17	9.85	-71.69
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300002420750	1	49	0.0	-74.33	356.75	8.69	-65.64
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300002420750	1	49	0.0	-74.46	357.39	8.72	-65.74
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300002420751	1	49	0.0	-68.67	364.82	8.96	-59.71
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300002420751	1	49	0.0	-72.28	357.08	8.69	-63.59
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002420778	0	51	0.0	-75.37	367.50	6.85	-68.52
CC(C)N1CC[NH+](CCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002420778	1	51	0.0	-76.20	364.71	6.69	-69.51
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002420779	0	54	0.0	-73.79	389.69	7.70	-66.09
CC(C)N1CC[NH+](CCCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002420779	1	54	0.0	-77.24	386.53	7.52	-69.72
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300002420784	0	55	0.0	-80.33	406.56	9.68	-70.65
O=C([O-])C1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300002420785	0	52	0.0	-80.46	385.67	9.06	-71.40
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300002420789	0	49	0.0	-60.69	366.78	8.92	-51.77
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300002420789	1	49	0.0	-59.40	368.20	8.92	-50.48
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002420793	0	47	0.0	-71.08	347.10	9.95	-61.13
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002420793	1	47	0.0	-71.53	346.99	9.97	-61.56
CCC(CC)C(C(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300002420805	1	53	0.0	-64.54	356.91	7.85	-56.69
O=C([O-])C1CCCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002420819	0	50	0.0	-81.72	378.16	10.96	-70.76
O=C([O-])C1CCCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002420819	1	50	0.0	-81.08	377.65	10.94	-70.14
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=NN1	REAL300002420834	1	44	0.0	-82.13	335.02	7.01	-75.12
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=NN1	REAL300002420834	1	44	0.0	-79.53	328.42	6.45	-73.08
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300002420844	0	50	0.0	-78.14	379.59	10.80	-67.34
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300002420844	1	50	0.0	-59.20	379.73	10.84	-48.36
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300002420845	1	46	0.0	-66.61	346.16	8.17	-58.44
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300002420845	1	46	0.0	-66.14	345.22	7.93	-58.21
O=C([O-])C1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300002420847	0	51	0.0	-80.40	382.89	8.43	-71.97
O=C([O-])C1CCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300002420878	0	50	0.0	-75.18	355.37	9.43	-65.75
O=C([O-])C1CCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300002420878	1	50	0.0	-75.91	353.64	9.37	-66.54
O=C([O-])C1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300002420893	0	55	0.0	-77.26	401.43	9.57	-67.69
O=C([O-])C1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300002420893	1	55	0.0	-82.34	401.87	9.48	-72.86
CC(C)[N@@H+]1CCC(C(=O)N2CCCC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300002420899	0	56	0.0	-83.90	413.27	9.63	-74.27
CC(C)[N@H+]1CCC(C(=O)N2CCCC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300002420899	1	56	0.0	-77.61	397.79	9.36	-68.25
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300002420900	0	50	0.0	-87.61	379.48	8.44	-79.17
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300002420900	1	50	0.0	-81.95	363.99	8.14	-73.81
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(C(=O)[O-])C3)=C2)CC1	REAL300002420905	0	52	0.0	-79.78	389.38	8.25	-71.53
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300002420906	0	52	0.0	-81.44	388.52	8.24	-73.20
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300002420906	1	52	0.0	-86.46	388.76	8.13	-78.33
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002420907	0	53	0.0	-83.27	393.94	9.92	-73.35
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300002420979	0	54	0.0	-88.20	403.90	7.99	-80.21
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002420981	0	50	0.0	-79.25	373.71	10.79	-68.46
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002420981	1	50	0.0	-54.90	364.17	10.81	-44.09
O=C([O-])C1CCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002421035	0	48	0.0	-54.39	361.07	7.09	-47.30
O=C([O-])C1CCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002421035	1	48	0.0	-71.49	359.42	7.12	-64.37
C[NH+](C)CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300002421039	0	46	0.0	-62.36	355.14	9.44	-52.92
CC[NH+](CC)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300002421041	0	52	0.0	-68.48	388.65	10.97	-57.51
O=C([O-])C1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300002421065	1	48	0.0	-64.27	361.92	10.44	-53.83
CC(C)C(C(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300002421066	1	53	0.0	-68.37	360.91	7.72	-60.65
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C(=O)[O-])C3)=CC=C1N2	REAL300002421088	1	48	0.0	-81.30	365.84	9.22	-72.08
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C(=O)[O-])C3)=CC=C1N2	REAL300002421088	1	48	0.0	-71.80	362.85	9.14	-62.66
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300002421138	0	46	0.0	-52.94	349.35	8.77	-44.17
CC1=CC=C(N2CCC(C(=O)N3CCCC(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300002421140	1	49	0.0	-54.01	366.24	8.66	-45.35
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300002421143	0	55	0.0	-82.77	398.74	9.20	-73.57
O=C([O-])C1CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300002421152	1	38	0.0	-79.91	310.05	6.79	-73.12
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002421183	0	50	0.0	-75.92	369.05	10.71	-65.21
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002421183	1	50	0.0	-75.05	372.04	10.73	-64.32
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002421199	0	51	0.0	-83.15	393.46	10.14	-73.01
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300002421215	0	47	0.0	-54.60	354.64	9.18	-45.42
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002421241	0	49	0.0	-77.65	362.82	8.67	-68.98
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002421241	1	49	0.0	-71.67	361.73	8.63	-63.04
O=C([O-])C1CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300002421434	0	51	0.0	-79.16	376.37	10.81	-68.35
O=C([O-])C1CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300002421434	1	51	0.0	-84.62	379.23	10.83	-73.79
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300002421462	1	50	0.0	-73.65	376.33	10.88	-62.77
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300002421462	1	50	0.0	-71.02	368.79	10.52	-60.50
C[N@@H+]1CC(C(=O)N2CCCC(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300002421525	0	40	0.0	-82.23	312.26	7.19	-75.04
C[N@H+]1CC(C(=O)N2CCCC(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300002421525	1	40	0.0	-85.92	301.42	7.37	-78.55
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300002421882	0	46	0.0	-79.75	351.62	9.61	-70.14
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002421886	0	47	0.0	-84.51	358.76	8.58	-75.93
O=C([O-])C1CCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002421951	0	53	0.0	-73.66	392.63	11.67	-61.99
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CCO1	REAL300002421953	1	51	0.0	-86.01	378.12	9.01	-77.00
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CCO1	REAL300002421953	1	51	0.0	-87.89	378.58	9.02	-78.87
CC1=CC=C2C(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CNC2=C1	REAL300002422110	0	50	0.0	-51.96	385.28	8.88	-43.08
CC1=CC=C2C(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CNC2=C1	REAL300002422110	1	50	0.0	-48.93	383.37	8.44	-40.49
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3(CC3)C3=CC=CC=C32)C1	REAL300002422205	0	45	0.0	-41.74	334.99	10.03	-31.71
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3(CC3)C3=CC=CC=C32)C1	REAL300002422205	1	45	0.0	-44.89	336.90	10.48	-34.41
CC1=NN(C)C2=NC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C12	REAL300002422314	0	45	0.0	-54.91	350.16	6.64	-48.27
CC1=NN(C)C2=NC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C12	REAL300002422314	1	45	0.0	-56.69	351.20	7.07	-49.62
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300002422432	0	44	0.0	-55.75	349.24	8.50	-47.25
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3C=CC=N3)C=C2)C1	REAL300002422432	1	44	0.0	-53.19	342.89	8.52	-44.67
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(Br)C=C2)C1	REAL300002422552	0	40	0.0	-49.62	338.00	8.05	-41.57
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(Br)C=C2)C1	REAL300002422552	1	40	0.0	-47.61	331.79	8.03	-39.58
CS(=O)(=O)NC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300002422683	0	45	0.0	-57.46	369.03	4.08	-53.38
CS(=O)(=O)NC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300002422683	1	45	0.0	-54.92	363.72	4.08	-50.84
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CN=C12	REAL300002422802	0	45	0.0	-54.68	348.68	8.67	-46.01
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CN=C12	REAL300002422802	1	45	0.0	-54.53	342.22	8.66	-45.87
O=C([O-])C1CCC[N@H+](CC(=O)NCCNC(=O)C2=CC=CS2)C1	REAL300002422920	0	44	0.0	-54.30	365.43	4.87	-49.43
O=C([O-])C1CCC[N@@H+](CC(=O)NCCNC(=O)C2=CC=CS2)C1	REAL300002422920	1	44	0.0	-53.67	364.79	4.85	-48.82
O=C([O-])C1CCC[N@H+](CC(=O)NCCNC(=O)C2=CC=C(Cl)C=C2)C1	REAL300002423047	0	47	0.0	-55.15	390.00	6.38	-48.77
O=C([O-])C1CCC[N@@H+](CC(=O)NCCNC(=O)C2=CC=C(Cl)C=C2)C1	REAL300002423047	1	47	0.0	-54.53	389.36	6.36	-48.17
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3C=CC=N3)N=C2)C1	REAL300002423254	1	43	0.0	-56.82	340.10	7.85	-48.97
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3C=CC=N3)N=C2)C1	REAL300002423254	1	43	0.0	-54.28	339.54	7.39	-46.89
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C2NC(=O)COC2=C1	REAL300002423375	0	43	0.0	-57.87	335.53	4.54	-53.33
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C2NC(=O)COC2=C1	REAL300002423375	1	43	0.0	-57.11	340.75	4.53	-52.58
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC3=CC=CN=C3C=C2)C1	REAL300002423540	0	42	0.0	-53.60	325.99	7.69	-45.91
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC3=CC=CN=C3C=C2)C1	REAL300002423540	1	42	0.0	-54.33	331.48	7.67	-46.66
CC1=NC2=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=CC=C2C=C1	REAL300002423634	0	45	0.0	-48.66	352.10	8.45	-40.21
CC1=NC2=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=CC=C2C=C1	REAL300002423634	1	45	0.0	-47.40	346.64	8.48	-38.92
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC3=NC=CN=C3C=C2)C1	REAL300002423711	0	41	0.0	-54.41	320.83	5.75	-48.66
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC3=NC=CN=C3C=C2)C1	REAL300002423711	1	41	0.0	-55.42	326.04	5.75	-49.67
CC1=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=CC=C1C(F)(F)F	REAL300002423823	0	43	0.0	-51.37	341.74	9.04	-42.33
CC1=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=CC=C1C(F)(F)F	REAL300002423823	1	43	0.0	-49.75	335.28	9.01	-40.74
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(NC(=O)C3=CC=NC=C3)=C2)C1	REAL300002423950	0	50	0.0	-55.03	391.93	7.56	-47.47
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(NC(=O)C3=CC=NC=C3)=C2)C1	REAL300002423950	1	50	0.0	-54.07	397.31	7.54	-46.53
CS(=O)(=O)NC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002424252	0	48	0.0	-54.17	384.11	4.12	-50.05
CS(=O)(=O)NC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002424252	1	48	0.0	-55.10	385.84	3.60	-51.50
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(CC(=O)N3CCOCC3)C=C2)C1	REAL300002424420	0	55	0.0	-56.61	422.36	7.85	-48.76
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(CC(=O)N3CCOCC3)C=C2)C1	REAL300002424420	1	55	0.0	-56.75	416.02	7.88	-48.87
CCN(CC)C(=O)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002424538	0	56	0.0	-53.96	421.50	9.14	-44.82
CCN(CC)C(=O)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002424538	1	56	0.0	-56.62	426.64	9.12	-47.50
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C2SCC(=O)NC2=C1	REAL300002424733	0	43	0.0	-54.40	344.50	6.35	-48.05
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1=CC=C2SCC(=O)NC2=C1	REAL300002424733	1	43	0.0	-55.80	350.00	6.33	-49.47
CC(=O)C1=CC=C(N2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C(F)=C1	REAL300002424922	0	54	0.0	-55.75	414.73	9.20	-46.55
CC(=O)C1=CC=C(N2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C(F)=C1	REAL300002424922	1	54	0.0	-52.63	407.24	8.73	-43.90
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(SCC3=CC=CN=C3)C=C2)C1	REAL300002425067	0	50	0.0	-55.11	407.31	10.41	-44.70
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(SCC3=CC=CN=C3)C=C2)C1	REAL300002425067	1	50	0.0	-53.58	407.14	10.42	-43.16
CNS(=O)(=O)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300002425189	1	45	0.0	-52.94	379.52	2.72	-50.22
CNS(=O)(=O)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300002425189	1	45	0.0	-56.24	385.70	2.74	-53.50
CN(CC1=NC(=O)C2=C(C=CS2)N1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002425316	0	45	0.0	-57.20	364.05	6.77	-50.43
CN(CC1=NC(=O)C2=C(C=CS2)N1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002425316	1	45	0.0	-61.41	362.40	6.33	-55.08
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(N3C=CC=N3)N=C2)C1	REAL300002425446	0	46	0.0	-54.90	372.26	7.91	-46.99
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(N3C=CC=N3)N=C2)C1	REAL300002425446	1	46	0.0	-52.45	366.05	7.89	-44.56
CC1=NC(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCCCC2)=NO1	REAL300002425564	0	51	0.0	-50.82	373.16	6.65	-44.17
CC1=NC(C2(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCCCC2)=NO1	REAL300002425564	1	51	0.0	-50.72	377.84	7.27	-43.45
CS(=O)(=O)NC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002425683	0	48	0.0	-54.94	383.88	4.14	-50.80
CS(=O)(=O)NC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002425683	1	48	0.0	-56.43	393.97	4.04	-52.39
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(NC(=O)NC3=CC=CC=C3)C=C2)C1	REAL300002425796	0	53	0.0	-56.70	417.68	8.50	-48.20
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(NC(=O)NC3=CC=CC=C3)C=C2)C1	REAL300002425796	1	53	0.0	-61.11	411.45	8.56	-52.55
CC(=O)NC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002425905	0	47	0.0	-51.44	366.86	6.30	-45.14
CC(=O)NC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002425905	1	47	0.0	-51.87	364.96	5.86	-46.01
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC3=CC=CC=C3N=C2)C1	REAL300002425996	0	42	0.0	-53.23	326.07	7.69	-45.54
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC3=CC=CC=C3N=C2)C1	REAL300002425996	1	42	0.0	-54.07	331.28	7.71	-46.36
CC1CC2=CC(F)=CC=C2C(C)N1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002426094	0	50	0.0	-49.96	366.56	11.01	-38.95
CC1CC2=CC(F)=CC=C2C(C)N1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002426094	1	50	0.0	-49.69	372.87	11.04	-38.65
COC1=CC=C(C(OC)C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002426214	0	54	0.0	-49.93	407.73	7.51	-42.42
COC1=CC=C(C(OC)C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002426214	1	54	0.0	-47.64	407.59	7.92	-39.72
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCOC2(CCS(=O)(=O)C2)C1	REAL300002426343	0	51	0.0	-62.58	388.70	3.19	-59.39
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCOC2(CCS(=O)(=O)C2)C1	REAL300002426343	1	51	0.0	-61.31	387.53	3.16	-58.15
CC1=NC(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=C(Cl)C=C2)=NO1	REAL300002426450	0	48	0.0	-49.01	395.42	6.68	-42.33
CC1=NC(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=C(Cl)C=C2)=NO1	REAL300002426450	1	48	0.0	-51.47	396.29	7.14	-44.33
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(CC3=CC=CC=C3)CCCC2)C1	REAL300002426609	0	56	0.0	-49.57	408.08	11.52	-38.05
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(CC3=CC=CC=C3)CCCC2)C1	REAL300002426609	1	56	0.0	-49.42	404.42	11.28	-38.14
CCC1(CC)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)C1OC	REAL300002426738	0	56	0.0	-48.27	399.32	8.16	-40.11
CCC1(CC)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)C1OC	REAL300002426738	1	56	0.0	-48.82	397.45	8.85	-39.97
CCC1=NN(C)C(OC)=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002426862	0	50	0.0	-47.65	389.21	5.26	-42.39
CCC1=NN(C)C(OC)=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002426862	1	50	0.0	-51.58	395.23	5.28	-46.30
CC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCC2=CC=CC=C21	REAL300002427027	0	53	0.0	-49.69	380.66	10.29	-39.40
CC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCC2=CC=CC=C21	REAL300002427027	1	53	0.0	-46.42	379.31	9.85	-36.57
CC1=CC2=C(C=C1[N+](=O)[O-])N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300002427160	0	46	0.0	-62.84	355.73	10.77	-52.07
CC1=CC2=C(C=C1[N+](=O)[O-])N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300002427160	1	46	0.0	-53.72	353.83	10.33	-43.39
CC1=CC(Br)=CC2=C1CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300002427265	0	47	0.0	-51.21	365.50	10.77	-40.44
CC1=CC(Br)=CC2=C1CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300002427265	1	47	0.0	-46.74	364.85	10.33	-36.41
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCOC3=CC(Cl)=CC=C32)C1	REAL300002427377	0	48	0.0	-47.61	377.19	9.52	-38.09
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCOC3=CC(Cl)=CC=C32)C1	REAL300002427377	1	48	0.0	-46.66	376.00	9.49	-37.17
COC1C(C)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300002427469	0	50	0.0	-44.52	366.46	7.87	-36.65
COC1C(C)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300002427469	1	50	0.0	-44.68	360.87	7.92	-36.76
C[C@H]1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCN1S(C)(=O)=O	REAL300002427578	0	48	0.0	-55.03	366.73	4.81	-50.22
C[C@H]1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCN1S(C)(=O)=O	REAL300002427578	1	48	0.0	-52.78	352.87	4.65	-48.13
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCOC3=CC(F)=CC=C32)C1	REAL300002427707	0	48	0.0	-48.19	366.87	9.07	-39.12
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCOC3=CC(F)=CC=C32)C1	REAL300002427707	1	48	0.0	-47.23	365.68	9.03	-38.20
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCOC3=C(F)C=CC=C32)C1	REAL300002427836	0	48	0.0	-56.36	369.70	8.54	-47.82
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCOC3=C(F)C=CC=C32)C1	REAL300002427836	1	48	0.0	-47.80	365.48	9.05	-38.75
COCCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C)O1	REAL300002427964	0	50	0.0	-51.11	388.08	7.20	-43.91
COCCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C)O1	REAL300002427964	1	50	0.0	-48.23	388.13	7.20	-41.03
CC(C)C1CCCCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002428046	0	52	0.0	-44.77	352.59	10.23	-34.54
CC(C)C1CCCCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002428046	1	52	0.0	-42.25	351.51	9.76	-32.49
CC(CC1=CC=CC=C1C(F)(F)F)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002428152	0	49	0.0	-51.00	384.54	9.74	-41.26
CC(CC1=CC=CC=C1C(F)(F)F)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002428152	1	49	0.0	-45.73	378.25	10.11	-35.62
COC1=CC=C2C(=C1)CC(C)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2C	REAL300002428441	0	54	0.0	-47.64	389.78	10.25	-37.39
COC1=CC=C2C(=C1)CC(C)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2C	REAL300002428441	1	54	0.0	-49.11	395.99	10.27	-38.84
COCCN1C=C2CCCC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=N1	REAL300002428561	0	54	0.0	-48.68	414.72	6.83	-41.85
COCCN1C=C2CCCC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=N1	REAL300002428561	1	54	0.0	-50.53	415.92	6.86	-43.67
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC2=NC(C3=CC=C(F)C=C3)=NO2)C1	REAL300002428778	0	51	0.0	-51.36	408.89	7.21	-44.15
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC2=NC(C3=CC=C(F)C=C3)=NO2)C1	REAL300002428778	1	51	0.0	-52.29	410.80	7.65	-44.64
O=C([O-])C1CCC[N@H+](CC(=O)NC2COC3=CC(F)=CC(F)=C32)C1	REAL300002429020	0	42	0.0	-45.73	337.29	6.74	-38.99
O=C([O-])C1CCC[N@@H+](CC(=O)NC2COC3=CC(F)=CC(F)=C32)C1	REAL300002429020	1	42	0.0	-46.95	336.46	6.30	-40.65
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(Cl)=CC3=C2OCC3)C1	REAL300002429145	0	45	0.0	-48.21	369.21	7.77	-40.44
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(Cl)=CC3=C2OCC3)C1	REAL300002429145	1	45	0.0	-47.47	363.03	7.75	-39.72
CCOC1CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1OC	REAL300002429259	0	48	0.0	-48.79	371.75	4.73	-44.06
CCOC1CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1OC	REAL300002429259	1	48	0.0	-48.42	366.34	4.75	-43.67
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC(C)C	REAL300002429369	0	51	0.0	-53.91	388.68	8.02	-45.89
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC(C)C	REAL300002429369	1	51	0.0	-53.40	383.19	8.05	-45.35
CC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC12CCCCC2	REAL300002429497	0	56	0.0	-46.57	372.10	10.76	-35.81
CC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC12CCCCC2	REAL300002429497	1	56	0.0	-42.42	370.98	10.29	-32.13
COCC1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)O1	REAL300002429611	0	51	0.0	-49.36	389.87	8.45	-40.91
COCC1=CC=C(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)O1	REAL300002429611	1	51	0.0	-49.60	396.08	8.48	-41.12
CCNC(=O)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002429729	0	50	0.0	-53.00	388.46	6.53	-46.47
CCNC(=O)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002429729	1	50	0.0	-55.84	394.66	6.55	-49.29
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(Cl)C(C(=O)NC3CC3)=C2)C1	REAL300002429857	1	48	0.0	-58.93	385.07	7.83	-51.10
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(Cl)C(C(=O)NC3CC3)=C2)C1	REAL300002429857	1	48	0.0	-60.31	390.80	7.78	-52.53
CN(C(=O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1)C1=CC=CC=C1	REAL300002429967	1	54	0.0	-55.92	411.34	10.24	-45.68
CN(C(=O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1)C1=CC=CC=C1	REAL300002429967	1	54	0.0	-64.83	405.29	10.30	-54.53
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC(F)=C2)C2CC2)C1	REAL300002430065	0	47	0.0	-51.48	356.51	10.80	-40.68
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC(F)=C2)C2CC2)C1	REAL300002430065	1	47	0.0	-53.48	357.30	11.05	-42.43
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=NC(OCC3=CC=CC=C3)=C2)C1	REAL300002430178	0	53	0.0	-52.23	425.55	8.12	-44.11
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=NC(OCC3=CC=CC=C3)=C2)C1	REAL300002430178	1	53	0.0	-51.22	419.35	8.10	-43.12
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CN=C2OC2=CC=CC(F)=C2)C1	REAL300002430296	0	50	0.0	-51.93	408.75	7.83	-44.10
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CN=C2OC2=CC=CC(F)=C2)C1	REAL300002430296	1	50	0.0	-50.86	402.59	7.83	-43.03
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300002430419	1	43	0.0	-53.58	353.27	5.42	-48.16
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300002430419	1	43	0.0	-51.78	352.46	4.98	-46.80
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OCC1=CC=CN=C1	REAL300002430550	0	54	0.0	-57.28	425.31	8.69	-48.59
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OCC1=CC=CN=C1	REAL300002430550	1	54	0.0	-56.76	420.09	8.70	-48.06
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OCC1=CC=NC=C1	REAL300002430645	0	54	0.0	-57.36	425.35	8.70	-48.66
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OCC1=CC=NC=C1	REAL300002430645	1	54	0.0	-56.77	420.13	8.71	-48.06
CC1=CC(C)=NN1C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300002430756	0	52	0.0	-53.33	405.86	9.34	-43.99
CC1=CC(C)=NN1C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300002430756	1	52	0.0	-55.54	412.07	9.37	-46.17
CC1=CC(C)=NN1C1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300002430885	1	49	0.0	-55.11	379.09	8.85	-46.26
CC1=CC(C)=NN1C1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300002430885	1	49	0.0	-58.42	380.14	9.28	-49.14
CC1=CC=CC(OC2=NC=CC=C2NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300002431002	1	53	0.0	-49.21	407.73	8.52	-40.69
CC1=CC=CC(OC2=NC=CC=C2NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300002431002	1	53	0.0	-47.93	407.42	8.92	-39.01
CC1=CC=C(OC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=N2)C=C1C	REAL300002431111	1	53	0.0	-52.60	408.49	8.52	-44.08
CC1=CC=C(OC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=N2)C=C1C	REAL300002431111	1	53	0.0	-53.86	409.86	8.96	-44.90
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3=CC=C(F)C=C3)N=C2)C1	REAL300002431233	1	47	0.0	-52.67	377.92	7.72	-44.95
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3=CC=C(F)C=C3)N=C2)C1	REAL300002431233	1	47	0.0	-51.99	375.80	7.35	-44.64
CNC(=O)C1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002431357	0	47	0.0	-52.29	366.97	5.67	-46.62
CNC(=O)C1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002431357	1	47	0.0	-54.47	373.18	5.69	-48.78
CNS(=O)(=O)C1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002431483	0	48	0.0	-54.44	387.09	3.56	-50.88
CNS(=O)(=O)C1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002431483	1	48	0.0	-55.32	393.31	3.58	-51.74
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OCC2=CC=CN=C2)C=C1	REAL300002431596	0	56	0.0	-53.15	439.65	9.75	-43.40
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OCC2=CC=CN=C2)C=C1	REAL300002431596	1	56	0.0	-51.90	434.18	9.78	-42.12
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300002431693	0	56	0.0	-51.94	437.59	9.83	-42.11
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300002431693	1	56	0.0	-52.39	438.76	9.86	-42.53
COC1=CC(C)=CC=C1OC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300002431819	1	54	0.0	-54.18	420.97	7.72	-46.46
COC1=CC(C)=CC=C1OC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300002431819	1	54	0.0	-55.89	422.29	8.18	-47.71
CC1=CC=C(OC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=N2)C=C1	REAL300002431930	1	50	0.0	-52.37	390.78	7.96	-44.41
CC1=CC=C(OC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=N2)C=C1	REAL300002431930	1	50	0.0	-53.52	392.90	8.32	-45.20
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC3=NC=CC=C23)C1	REAL300002432014	0	42	0.0	-54.86	322.16	7.83	-47.03
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC3=NC=CC=C23)C1	REAL300002432014	1	42	0.0	-55.34	328.62	7.83	-47.51
COC1=CC=C(NC(C)=O)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002432108	1	48	0.0	-55.00	373.82	5.61	-49.39
COC1=CC=C(NC(C)=O)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002432108	1	48	0.0	-51.76	370.28	5.61	-46.15
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C3=CC=CC=C3[N+](=O)[O-])CC2)C1	REAL300002432225	0	51	0.0	-50.93	385.81	9.97	-40.96
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C3=CC=CC=C3[N+](=O)[O-])CC2)C1	REAL300002432225	1	51	0.0	-54.07	393.28	10.41	-43.66
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CSC(C3=CC=CC=C3)=N2)C1	REAL300002432349	0	49	0.0	-52.40	402.68	9.00	-43.40
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CSC(C3=CC=CC=C3)=N2)C1	REAL300002432349	1	49	0.0	-53.52	396.45	8.99	-44.53
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC3=CC=CN=C32)C1	REAL300002432450	0	42	0.0	-47.69	325.05	7.86	-39.83
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC3=CC=CN=C32)C1	REAL300002432450	1	42	0.0	-48.82	330.51	7.84	-40.98
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(N3CCCCC3=O)=C2)C1	REAL300002432632	0	51	0.0	-52.19	385.90	9.17	-43.02
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(N3CCCCC3=O)=C2)C1	REAL300002432632	1	51	0.0	-54.74	392.20	9.16	-45.58
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(C3=CN=CO3)C=C2)C1	REAL300002432757	0	43	0.0	-55.90	345.46	5.71	-50.19
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(C3=CN=CO3)C=C2)C1	REAL300002432757	1	43	0.0	-55.13	345.57	5.69	-49.44
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OC3=CC=CC=C3Cl)CC2)C1	REAL300002432877	0	51	0.0	-48.01	389.43	9.99	-38.02
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OC3=CC=CC=C3Cl)CC2)C1	REAL300002432877	1	51	0.0	-51.31	396.92	10.46	-40.85
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300002432999	1	43	0.0	-63.27	345.48	8.04	-55.23
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300002432999	1	43	0.0	-66.98	340.26	8.05	-58.93
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300002433126	0	53	0.0	-49.83	407.74	11.66	-38.17
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300002433126	1	53	0.0	-48.79	402.27	11.69	-37.10
CCN(CC(=O)NC1=C(F)C=CC=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002433251	0	50	0.0	-52.26	405.13	9.25	-43.01
CCN(CC(=O)NC1=C(F)C=CC=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002433251	1	50	0.0	-50.06	399.66	9.28	-40.78
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2NC2=CC=CC=C2)C1	REAL300002433361	0	49	0.0	-44.91	377.02	9.97	-34.94
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2NC2=CC=CC=C2)C1	REAL300002433361	1	49	0.0	-48.04	369.68	9.48	-38.56
CC1=NC(C2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)=CS1	REAL300002433484	0	46	0.0	-52.83	374.78	8.71	-44.12
CC1=NC(C2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)=CS1	REAL300002433484	1	46	0.0	-55.62	368.97	8.76	-46.86
CC1=NN=CN1C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002433615	0	46	0.0	-60.23	365.25	10.41	-49.82
CC1=NN=CN1C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002433615	1	46	0.0	-56.19	359.79	10.44	-45.75
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=CC=C(C(F)(F)F)C=N2)C1	REAL300002433786	0	46	0.0	-50.13	383.23	5.45	-44.68
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=CC=C(C(F)(F)F)C=N2)C1	REAL300002433786	1	46	0.0	-49.55	383.34	5.45	-44.10
O=C([O-])C1CCC[N@H+](CC(=O)NCCOC2=NC=C(Cl)C=C2Cl)C1	REAL300002433910	0	43	0.0	-45.73	368.82	5.06	-40.67
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2=NC=C(Cl)C=C2Cl)C1	REAL300002433910	1	43	0.0	-47.81	370.73	5.49	-42.32
CCC1=NNC(=O)C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1CC	REAL300002434117	0	51	0.0	-49.33	384.75	5.52	-43.81
CCC1=NNC(=O)C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1CC	REAL300002434117	1	51	0.0	-53.53	390.97	5.54	-47.99
CN1C=NC(C2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300002434277	0	46	0.0	-58.07	368.41	9.39	-48.68
CN1C=NC(C2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300002434277	1	46	0.0	-60.07	362.65	9.44	-50.63
CCC1(CC)C(OC)CC1N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002434394	0	56	0.0	-46.16	382.45	9.30	-36.86
CCC1(CC)C(OC)CC1N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002434394	1	56	0.0	-46.92	383.89	9.31	-37.61
O=C([O-])C1CCC[N@H+](CC(=O)NC2C3CCC4=CC=CC=C4C32)C1	REAL300002434502	0	48	0.0	-45.33	355.64	10.74	-34.59
O=C([O-])C1CCC[N@@H+](CC(=O)NC2C3CCC4=CC=CC=C4C32)C1	REAL300002434502	1	48	0.0	-44.47	355.47	9.91	-34.56
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC1C1=CC=CC=C1	REAL300002434593	0	47	0.0	-43.18	346.02	10.21	-32.97
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC1C1=CC=CC=C1	REAL300002434593	1	47	0.0	-49.34	359.10	10.51	-38.83
O=C([O-])C1CCC[N@H+](CC(=O)NCCNC(=O)C2=CC=CC=C2F)C1	REAL300002434708	0	47	0.0	-59.01	377.84	5.94	-53.07
O=C([O-])C1CCC[N@@H+](CC(=O)NCCNC(=O)C2=CC=CC=C2F)C1	REAL300002434708	1	47	0.0	-58.41	377.20	5.92	-52.49
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3=CC=CC=C3CC2C2=CC=CC=C2)C1	REAL300002434825	0	54	0.0	-48.35	402.80	12.97	-35.38
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3=CC=CC=C3CC2C2=CC=CC=C2)C1	REAL300002434825	1	54	0.0	-49.58	396.59	12.95	-36.63
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(SC3CCCC3)C=C2)C1	REAL300002434940	0	51	0.0	-51.76	392.34	10.95	-40.81
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(SC3CCCC3)C=C2)C1	REAL300002434940	1	51	0.0	-50.40	392.15	10.95	-39.45
CC1=NOC(C)=C1C(C)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002435087	0	48	0.0	-54.30	365.72	7.36	-46.94
CC1=NOC(C)=C1C(C)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002435087	1	48	0.0	-51.07	357.37	6.90	-44.17
CS(=O)(=O)N1CCC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002435206	0	48	0.0	-58.07	379.41	3.28	-54.79
CS(=O)(=O)N1CCC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002435206	1	48	0.0	-58.74	380.06	3.30	-55.44
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC3=CC(F)=CC=C32)C1	REAL300002435334	0	47	0.0	-51.31	356.52	9.17	-42.14
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC3=CC(F)=CC=C32)C1	REAL300002435334	1	47	0.0	-50.80	355.58	9.15	-41.65
CN1C=NC(C2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=N1	REAL300002435500	0	46	0.0	-58.69	362.67	9.44	-49.25
CN1C=NC(C2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=N1	REAL300002435500	1	46	0.0	-59.02	369.04	9.41	-49.61
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CCC(NC(=O)C[N@H+](C)C(C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438823	0	45	0.0	-54.78	348.45	9.43	-45.35
CCC(NC(=O)C[N@@H+](C)C(C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438823	1	45	0.0	-54.82	348.52	9.49	-45.33
CCC(NC(=O)CCN1C=C[NH+]=C1C(C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438827	1	50	0.0	-58.82	399.52	11.52	-47.30
CC[N@H+](CC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CC1	REAL300002438833	0	46	0.0	-54.22	363.31	10.37	-43.85
CC[N@@H+](CC(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CC1	REAL300002438833	1	46	0.0	-54.71	360.40	10.21	-44.50
CCC(NC(=O)C(C)[NH+]1CCCCCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438851	0	52	0.0	-54.47	384.12	10.77	-43.70
CCC(NC(=O)[C@@H]1CCC[N@@H+]1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438854	0	43	0.0	-61.02	331.82	8.71	-52.31
CCC(NC(=O)[C@@H]1CCC[N@H+]1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438854	1	43	0.0	-55.25	339.27	9.36	-45.89
CCC(NC(=O)C[NH2+]C(C)(C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438908	0	45	0.0	-55.01	353.11	8.08	-46.93
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)O1	REAL300002438909	0	52	0.0	-74.36	413.88	11.54	-62.82
CCC(NC(=O)CCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438910	0	52	0.0	-69.65	405.35	11.63	-58.02
CCC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438912	1	49	0.0	-59.81	390.76	11.89	-47.92
CCC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438912	1	49	0.0	-59.80	390.69	11.83	-47.97
CCC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438934	1	44	0.0	-76.24	373.31	9.80	-66.44
CCC(NC(=O)C1=NOC(C[NH+](C)C)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438948	1	45	0.0	-77.84	372.20	9.39	-68.45
CCC(NC(=O)C1CCC[N@@H+]1C(C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438960	0	49	0.0	-53.17	372.06	10.26	-42.91
CCC(NC(=O)C1CCC[N@H+]1C(C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438960	1	49	0.0	-55.20	372.82	10.37	-44.83
CCC(NC(=O)COC1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002438975	0	50	0.0	-76.54	393.93	10.04	-66.50
CCC[N@@H+]1CCCC(C(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300002439089	0	52	0.0	-50.33	388.70	11.38	-38.95
CCC[N@H+]1CCCC(C(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300002439089	1	52	0.0	-55.07	388.12	11.36	-43.71
CCC(NC(=O)C[NH+]1CCC(CO)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439107	1	50	0.0	-57.47	387.81	7.43	-50.04
CCC(NC(=O)C1CCC[N@@H+](C(C)C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439245	0	52	0.0	-55.12	382.17	11.15	-43.97
CCC(NC(=O)C1CCC[N@H+](C(C)C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439245	1	52	0.0	-61.40	392.98	11.18	-50.22
CCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439246	0	46	0.0	-57.51	369.56	9.68	-47.83
CCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439246	1	46	0.0	-65.39	357.95	9.40	-55.99
CCC(NC(=O)CCC1=[NH+]C(C)=C(C)N1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439267	1	47	0.0	-59.16	384.34	9.65	-49.51
CCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439581	0	52	0.0	-75.64	414.68	12.66	-62.98
CCC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439685	0	46	0.0	-63.69	363.64	10.10	-53.59
CCC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439689	0	52	0.0	-51.40	383.01	10.87	-40.53
CCC(NC(=O)C1=CN2C(C)=[NH+]C=C2C=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439692	0	44	0.0	-64.84	365.61	11.62	-53.22
CCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439733	0	55	0.0	-51.43	406.19	12.12	-39.31
CCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439733	1	55	0.0	-55.74	404.43	12.06	-43.68
CC[N@@H+]1CCCC(C(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300002439734	0	49	0.0	-63.68	376.36	10.67	-53.01
CC[N@H+]1CCCC(C(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300002439734	1	49	0.0	-61.92	376.33	10.65	-51.27
CCC(NC(=O)C1CCC[N@H+](C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439739	0	46	0.0	-64.17	358.73	9.98	-54.19
CCC(NC(=O)C1CCC[N@@H+](C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439739	1	46	0.0	-55.49	347.84	9.98	-45.51
CCC(NC(=O)C1=CC=C(C[NH+](C)C)O1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439741	1	46	0.0	-77.29	377.50	10.07	-67.22
CCC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439749	1	48	0.0	-61.81	362.50	11.36	-50.45
CCC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002439749	1	48	0.0	-61.21	363.85	11.29	-49.92
COC1=CC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(C(=O)[O-])=C1	REAL300002440828	0	51	0.0	-66.54	394.77	10.35	-56.19
COC1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C(C(=O)[O-])=C1	REAL300002442158	0	45	0.0	-61.78	347.11	8.14	-53.64
COC1=CC=C(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)C(C(=O)[O-])=C1	REAL300002442185	1	43	0.0	-56.89	340.99	7.84	-49.05
COC1=CC=C(NC(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)C(C(=O)[O-])=C1	REAL300002442249	1	50	0.0	-65.70	402.03	8.40	-57.30
COC1=CC=C(NC(=O)C(C)N2CC[NH+](C)CC2)C(C(=O)[O-])=C1	REAL300002442250	1	46	0.0	-67.00	348.37	5.02	-61.98
COC1=CC=C(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C(C(=O)[O-])=C1	REAL300002442322	0	54	0.0	-70.25	428.17	9.92	-60.33
COC1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(C(=O)[O-])=C1	REAL300002442381	0	36	0.0	-65.67	304.26	8.66	-57.01
COC1=CC=C(NC(=O)C2(C[NH+](C)C)CCCCC2)C(C(=O)[O-])=C1	REAL300002442409	0	50	0.0	-49.31	356.64	8.60	-40.71
COC1=CC=C(NC(=O)CC[N@H+](C)C2CCCCC2)C(C(=O)[O-])=C1	REAL300002442413	0	50	0.0	-59.71	372.51	8.75	-50.96
COC1=CC=C(NC(=O)CC[N@@H+](C)C2CCCCC2)C(C(=O)[O-])=C1	REAL300002442413	1	50	0.0	-60.27	372.51	8.73	-51.54
COC1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(C(=O)[O-])=C1	REAL300002442475	0	44	0.0	-70.19	364.83	7.82	-62.37
COC1=CC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C(C(=O)[O-])=C1	REAL300002442491	0	52	0.0	-67.62	385.66	7.42	-60.20
COC1=CC=C(NC(=O)CCCN2C=C[NH+]=C2C)C(C(=O)[O-])=C1	REAL300002442518	1	42	0.0	-60.02	345.07	8.05	-51.97
COC1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C(C(=O)[O-])=C1	REAL300002442519	1	48	0.0	-67.84	372.36	6.73	-61.11
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])C=C1)C(C)C	REAL300002442520	0	53	0.0	-68.67	397.84	10.09	-58.58
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])C=C1)C(C)C	REAL300002442520	1	53	0.0	-70.79	393.51	9.87	-60.92
COC1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300002442539	0	48	0.0	-62.73	376.15	9.45	-53.28
COC1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300002442539	1	48	0.0	-61.89	377.27	9.54	-52.35
COC1=CC=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C(C(=O)[O-])=C1	REAL300002442540	0	49	0.0	-69.30	373.50	8.75	-60.55
COC1=CC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C(C(=O)[O-])=C1	REAL300002442568	0	52	0.0	-61.85	369.67	6.93	-54.92
CCC(C(=O)NC1=CC=C(OC)C=C1C(=O)[O-])[NH+](CC)CC	REAL300002442572	0	46	0.0	-52.21	338.09	7.55	-44.66
COC1=CC=C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300002442574	0	47	0.0	-53.58	367.67	9.14	-44.44
COC1=CC=C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300002442574	1	47	0.0	-54.67	365.83	9.20	-45.47
COC1=CC=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300002442582	0	54	0.0	-65.49	416.91	11.12	-54.37
COC1=CC=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300002442582	1	54	0.0	-62.24	410.59	11.33	-50.91
COC1=CC=C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(C(=O)[O-])=C1	REAL300002442596	0	43	0.0	-70.99	346.89	7.10	-63.89
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(OC)C=C1C(=O)[O-]	REAL300002442604	0	52	0.0	-63.89	394.81	9.25	-54.64
COC1=CC=C(NC(=O)CN2C=C[NH+]=C2C(C)C)C(C(=O)[O-])=C1	REAL300002442612	1	42	0.0	-53.68	338.62	7.81	-45.87
COC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(C(=O)[O-])=C1	REAL300002442626	0	48	0.0	-70.70	377.08	9.79	-60.91
COC1=CC=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(C(=O)[O-])=C1	REAL300002442631	0	51	0.0	-70.56	393.83	10.49	-60.07
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=C(OC)C=C3C(=O)[O-])CC2)CC1	REAL300002442636	0	59	0.0	-63.94	427.02	7.88	-56.06
COC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C(C(=O)[O-])=C1	REAL300002442643	1	55	0.0	-74.19	427.10	9.53	-64.66
COC1=CC=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])=C1	REAL300002442656	1	52	0.0	-68.34	401.69	9.57	-58.77
COC1=CC=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])=C1	REAL300002442656	1	52	0.0	-70.68	408.26	9.58	-61.10
COC1=CC=C(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C(C(=O)[O-])=C1	REAL300002442672	1	42	0.0	-76.26	348.20	6.99	-69.27
COC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(C(=O)[O-])=C1	REAL300002442675	0	51	0.0	-71.00	393.82	10.50	-60.50
COC1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(C(=O)[O-])=C1	REAL300002442686	1	44	0.0	-75.13	357.52	7.25	-67.88
COC1=CC=C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(C(=O)[O-])=C1	REAL300002442687	0	47	0.0	-74.81	374.75	9.48	-65.33
COC1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])=C1	REAL300002442694	1	49	0.0	-60.48	380.83	8.92	-51.56
COC1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])=C1	REAL300002442694	1	49	0.0	-62.03	387.97	9.09	-52.94
COC1=CC=C(NC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)C(C(=O)[O-])=C1	REAL300002442703	0	57	0.0	-54.21	431.88	11.59	-42.62
COC1=CC=C(NC(=O)C[N@H+](C)CC(C)(C)C)C(C(=O)[O-])=C1	REAL300002442743	0	46	0.0	-54.00	344.73	7.71	-46.29
COC1=CC=C(NC(=O)C[N@@H+](C)CC(C)(C)C)C(C(=O)[O-])=C1	REAL300002442743	1	46	0.0	-54.51	341.61	7.55	-46.96
COC1=CC=C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300002442745	0	47	0.0	-59.16	373.06	9.57	-49.59
COC1=CC=C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300002442745	1	47	0.0	-59.33	373.26	9.60	-49.73
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(OC)C=C1C(=O)[O-]	REAL300002442746	0	51	0.0	-61.68	402.20	5.79	-55.89
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(OC)C=C1C(=O)[O-]	REAL300002442746	1	51	0.0	-61.38	402.28	5.77	-55.61
COC1=CC=C(NC(=O)CC2(O)CCC[N@H+](C)C2)C(C(=O)[O-])=C1	REAL300002442749	0	45	0.0	-58.14	343.61	5.34	-52.80
COC1=CC=C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C(C(=O)[O-])=C1	REAL300002442749	1	45	0.0	-62.97	334.00	5.17	-57.80
COC1=CC=C(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(C(=O)[O-])=C1	REAL300002442759	0	56	0.0	-67.95	428.39	9.29	-58.66
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(OC)C=C1C(=O)[O-]	REAL300002442761	0	49	0.0	-57.63	376.82	8.85	-48.78
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(OC)C=C1C(=O)[O-]	REAL300002442761	1	49	0.0	-57.47	376.65	8.86	-48.61
COC1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(C(=O)[O-])=C1	REAL300002442775	1	36	0.0	-68.26	303.39	8.58	-59.68
COC1=CC=C(NC(=O)C[N@H+](C)C2CCSC2)C(C(=O)[O-])=C1	REAL300002442791	1	42	0.0	-60.47	333.40	7.41	-53.06
COC1=CC=C(NC(=O)C[N@@H+](C)C2CCSC2)C(C(=O)[O-])=C1	REAL300002442791	1	42	0.0	-59.55	333.80	7.34	-52.21
COC1=CC=C(NC(=O)CCN2CC[NH+](C(C)C)CC2)C(C(=O)[O-])=C1	REAL300002442804	0	52	0.0	-63.58	389.28	6.30	-57.28
COC1=CC=C(NC(=O)CC[NH+]2CCN(C(C)C)CC2)C(C(=O)[O-])=C1	REAL300002442804	1	52	0.0	-59.82	385.95	6.12	-53.70
COC1=CC=C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C(C(=O)[O-])=C1	REAL300002442805	0	55	0.0	-65.11	410.94	7.12	-57.99
COC1=CC=C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(C(=O)[O-])=C1	REAL300002442805	1	55	0.0	-63.65	407.76	6.96	-56.69
COC1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C(C(=O)[O-])=C1	REAL300002442806	0	45	0.0	-53.47	330.66	7.69	-45.78
COC1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C(C(=O)[O-])=C1	REAL300002442806	1	45	0.0	-50.53	337.79	7.92	-42.61
COC1=CC=C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C(C(=O)[O-])=C1	REAL300002442808	0	44	0.0	-76.13	357.28	6.59	-69.54
COC1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC(C)=C3)CC2)C(C(=O)[O-])=C1	REAL300002442811	0	56	0.0	-64.98	427.16	9.08	-55.90
COC1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C(C(=O)[O-])=C1	REAL300002442813	0	53	0.0	-64.95	405.75	8.42	-56.53
COC1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(C(=O)[O-])=C1	REAL300002442815	0	50	0.0	-66.86	389.29	8.50	-58.36
COC1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(C(=O)[O-])=C1	REAL300002442815	1	50	0.0	-65.17	383.51	8.74	-56.43
COC1=CC=C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(C(=O)[O-])=C1	REAL300002442820	1	48	0.0	-51.61	373.22	9.59	-42.02
COC1=CC=C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(C(=O)[O-])=C1	REAL300002442820	1	48	0.0	-54.51	368.88	9.64	-44.87
COC1=CC=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300002442841	0	51	0.0	-67.18	396.00	10.26	-56.92
COC1=CC=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300002442841	1	51	0.0	-67.07	398.01	10.33	-56.74
COC1=CC=C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C(C(=O)[O-])=C1	REAL300002442855	0	44	0.0	-74.29	359.02	6.62	-67.67
COC1=CC=C(NC(=O)C2=CC=NN2CC[NH+](C)C)C(C(=O)[O-])=C1	REAL300002442856	0	44	0.0	-62.39	354.21	6.60	-55.79
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(OC)C=C1C(=O)[O-]	REAL300002442857	1	45	0.0	-56.63	358.90	8.28	-48.35
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])CC[N@@H+]1C	REAL300002442860	0	44	0.0	-64.13	330.76	6.83	-57.30
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])CC[N@H+]1C	REAL300002442860	1	44	0.0	-64.51	335.77	7.13	-57.38
COC1=CC=C(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C(C(=O)[O-])=C1	REAL300002442863	1	45	0.0	-75.79	360.54	6.16	-69.63
COC1=CC=C(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C(C(=O)[O-])=C1	REAL300002442863	1	45	0.0	-74.80	360.11	6.18	-68.62
COC1=CC=C(NC(=O)C2C[N@H+](C)CC(C)O2)C(C(=O)[O-])=C1	REAL300002442870	1	42	0.0	-65.68	325.96	5.78	-59.90
COC1=CC=C(NC(=O)C2C[N@@H+](C)CC(C)O2)C(C(=O)[O-])=C1	REAL300002442870	1	42	0.0	-63.71	324.58	5.72	-57.99
COC1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C(C(=O)[O-])=C1	REAL300002442874	0	51	0.0	-66.91	400.77	10.33	-56.58
COC1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C(C(=O)[O-])=C1	REAL300002442874	1	51	0.0	-62.72	394.99	10.57	-52.15
COC1=CC=C(NC(=O)C(C)C[NH+]2CCOCC2)C(C(=O)[O-])=C1	REAL300002442879	0	45	0.0	-56.65	344.23	5.92	-50.73
COC1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C(C(=O)[O-])=C1	REAL300002442880	0	52	0.0	-64.38	404.65	7.90	-56.48
COC1=CC=C(NC(=O)C[NH+]2CCC(C)CC2)C(C(=O)[O-])=C1	REAL300002442890	1	44	0.0	-54.79	336.66	7.64	-47.15
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])C1	REAL300002442903	1	42	0.0	-61.41	329.41	6.18	-55.23
CC[N@H+]1CCOC(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])C1	REAL300002442903	1	42	0.0	-57.75	321.44	5.91	-51.84
COC1=CC=C(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)C(C(=O)[O-])=C1	REAL300002442934	1	51	0.0	-69.31	395.75	8.71	-60.60
COC1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(C(=O)[O-])=C1	REAL300002442935	0	51	0.0	-58.03	379.72	9.03	-49.00
COC1=CC=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C(C(=O)[O-])=C1	REAL300002442935	1	51	0.0	-60.80	378.27	8.95	-51.85
COC1=CC=C(NC(=O)CCC2CCC[N@@H+]2C)C(C(=O)[O-])=C1	REAL300002442942	0	44	0.0	-62.73	335.27	7.14	-55.59
COC1=CC=C(NC(=O)CCC2CCC[N@H+]2C)C(C(=O)[O-])=C1	REAL300002442942	1	44	0.0	-58.77	341.33	7.62	-51.15
COC1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C(C(=O)[O-])=C1	REAL300002442954	0	45	0.0	-50.28	334.73	7.63	-42.65
COC1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C(C(=O)[O-])=C1	REAL300002442954	1	45	0.0	-50.68	340.45	7.96	-42.72
COC1=CC=C(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C(C(=O)[O-])=C1	REAL300002442968	0	53	0.0	-71.99	410.93	8.06	-63.93
COC1=CC=C(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C(C(=O)[O-])=C1	REAL300002442969	0	53	0.0	-67.80	410.01	7.88	-59.92
COC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C(C(=O)[O-])=C1	REAL300002442969	1	53	0.0	-71.70	410.35	7.95	-63.75
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])C=C1	REAL300002442970	0	54	0.0	-72.26	417.32	9.77	-62.49
COC1=CC=C(NC(=O)C2CC[NH+](C(C)C)CC2)C(C(=O)[O-])=C1	REAL300002442978	0	47	0.0	-61.52	352.59	7.96	-53.56
COC1=CC=C(NC(=O)C23CC[N@H+](C2)CCC3)C(C(=O)[O-])=C1	REAL300002443051	0	42	0.0	-64.19	316.65	6.32	-57.87
COC1=CC=C(NC(=O)C23CC[N@@H+](C2)CCC3)C(C(=O)[O-])=C1	REAL300002443051	1	42	0.0	-63.09	315.86	6.37	-56.72
COC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C(C(=O)[O-])=C1	REAL300002443087	0	55	0.0	-74.58	425.52	7.80	-66.78
COC1=CC=C(NC(=O)C[NH+]2C(C)CCC2C)C(C(=O)[O-])=C1	REAL300002443094	0	44	0.0	-52.37	330.59	6.98	-45.39
COC1=CC=C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C(C(=O)[O-])=C1	REAL300002443095	0	44	0.0	-71.52	352.25	8.63	-62.89
COC1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300002443096	0	51	0.0	-61.40	388.24	10.48	-50.92
COC1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300002443096	1	51	0.0	-60.23	389.67	10.54	-49.69
C#CC[NH+]1CCC(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])CC1	REAL300002443147	0	43	0.0	-65.51	342.95	7.93	-57.58
CC[NH+]1CCN(CCC(=O)NC2=CC=C(OC)C=C2C(=O)[O-])CC1	REAL300002443149	0	49	0.0	-63.92	370.38	5.60	-58.32
CCN1CC[NH+](CCC(=O)NC2=CC=C(OC)C=C2C(=O)[O-])CC1	REAL300002443149	1	49	0.0	-60.80	371.56	5.73	-55.07
COC1=CC=C(NC(=O)CCN2C=C[NH+]=C2C(C)C)C(C(=O)[O-])=C1	REAL300002443156	1	45	0.0	-55.60	359.53	8.30	-47.30
COC1=CC=C(NC(=O)C(C)[NH+]2CCCCCC2)C(C(=O)[O-])=C1	REAL300002443187	0	47	0.0	-52.11	344.25	7.63	-44.48
COC1=CC=C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C(C(=O)[O-])=C1	REAL300002443222	1	49	0.0	-78.61	387.06	9.07	-69.54
COC1=CC=C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C(C(=O)[O-])=C1	REAL300002443222	1	49	0.0	-78.41	387.25	9.06	-69.35
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])O1	REAL300002443266	0	47	0.0	-64.43	374.41	8.30	-56.13
COC1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C(C(=O)[O-])=C1	REAL300002443267	0	47	0.0	-65.10	364.28	8.40	-56.70
COC1=CC=C(NC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)C(C(=O)[O-])=C1	REAL300002443269	1	50	0.0	-61.18	387.29	8.16	-53.02
COC1=CC=C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300002443270	1	44	0.0	-58.59	349.64	8.68	-49.91
COC1=CC=C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300002443270	1	44	0.0	-57.56	350.77	8.75	-48.81
COC1=CC=C(NC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)C(C(=O)[O-])=C1	REAL300002443274	0	56	0.0	-72.50	420.28	9.00	-63.50
COC1=CC=C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C(C(=O)[O-])=C1	REAL300002443314	1	40	0.0	-76.80	332.19	6.13	-70.67
COC1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C(C(=O)[O-])=C1	REAL300002443318	0	51	0.0	-65.41	394.74	10.15	-55.26
COC1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C(C(=O)[O-])=C1	REAL300002443318	1	51	0.0	-64.91	394.66	10.30	-54.61
COC1=CC=C(NC(=O)C2CCC[N@@H+]2C(C)C)C(C(=O)[O-])=C1	REAL300002443336	0	44	0.0	-52.13	332.44	7.17	-44.96
COC1=CC=C(NC(=O)C2CCC[N@H+]2C(C)C)C(C(=O)[O-])=C1	REAL300002443336	1	44	0.0	-53.59	331.80	7.19	-46.40
COC1=CC=C(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C(C(=O)[O-])=C1	REAL300002443343	0	52	0.0	-73.03	416.56	9.62	-63.41
COC1=CC=C(NC(=O)COC2CC[NH+](C)CC2)C(C(=O)[O-])=C1	REAL300002443358	0	45	0.0	-69.00	352.90	7.07	-61.93
COC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(C(=O)[O-])=C1	REAL300002443364	0	48	0.0	-65.43	380.25	8.84	-56.59
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])C1	REAL300002443512	0	47	0.0	-57.97	351.22	8.33	-49.64
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])C1	REAL300002443512	1	47	0.0	-60.93	356.95	8.09	-52.84
COC1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C(C(=O)[O-])=C1	REAL300002443540	1	45	0.0	-55.92	348.66	4.33	-51.59
COC1=CC=C(NC(=O)C2CCC[N@@H+](C(C)C)C2)C(C(=O)[O-])=C1	REAL300002443726	0	47	0.0	-57.01	347.03	8.14	-48.87
COC1=CC=C(NC(=O)C2CCC[N@H+](C(C)C)C2)C(C(=O)[O-])=C1	REAL300002443726	1	47	0.0	-57.12	346.57	8.13	-48.99
COC1=CC=C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C(C(=O)[O-])=C1	REAL300002443727	0	41	0.0	-71.68	326.01	6.99	-64.69
COC1=CC=C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(C(=O)[O-])=C1	REAL300002443727	1	41	0.0	-71.34	325.98	6.88	-64.46
COC1=CC=C(NC(=O)CCC2=[NH+]C(C)=C(C)N2)C(C(=O)[O-])=C1	REAL300002443749	1	42	0.0	-55.88	344.33	6.43	-49.45
COC1=CC=C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(C(=O)[O-])=C1	REAL300002444147	0	47	0.0	-74.25	374.74	9.48	-64.77
COC1=CC=C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(C(=O)[O-])=C1	REAL300002444155	0	48	0.0	-73.62	382.06	8.43	-65.19
COC1=CC=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C(C(=O)[O-])=C1	REAL300002444248	0	54	0.0	-67.77	412.64	11.02	-56.75
COC1=CC=C(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C(C(=O)[O-])=C1	REAL300002444250	1	52	0.0	-72.95	399.62	8.81	-64.14
COC1=CC=C(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C(C(=O)[O-])=C1	REAL300002444250	1	52	0.0	-72.99	399.65	8.81	-64.18
COC1=CC=C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(C(=O)[O-])=C1	REAL300002444280	0	47	0.0	-65.60	345.50	7.75	-57.85
COC1=CC=C(NC(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C(C(=O)[O-])=C1	REAL300002444284	0	39	0.0	-60.65	325.68	8.43	-52.22
COC1=CC=C(NC(=O)C2CCC[N@H+](CC(C)C)C2)C(C(=O)[O-])=C1	REAL300002444335	0	50	0.0	-58.95	369.50	9.02	-49.93
COC1=CC=C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)C(C(=O)[O-])=C1	REAL300002444335	1	50	0.0	-58.98	365.35	9.01	-49.97
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])C1	REAL300002444336	0	44	0.0	-59.82	336.16	7.42	-52.40
CC[N@H+]1CCCC(C(=O)NC2=CC=C(OC)C=C2C(=O)[O-])C1	REAL300002444336	1	44	0.0	-58.91	329.34	7.57	-51.34
COC1=CC=C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C(C(=O)[O-])=C1	REAL300002444342	1	41	0.0	-65.76	337.59	6.87	-58.89
COC1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(C(=O)[O-])=C1	REAL300002444350	1	43	0.0	-54.27	329.99	7.67	-46.60
COC1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(C(=O)[O-])=C1	REAL300002444350	1	43	0.0	-51.89	331.62	8.30	-43.59
O=C([O-])[C@H]1CCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002445226	0	47	0.0	-83.31	358.80	10.33	-72.98
CC1=NC(C[NH+]2CCC(C(=O)N3CCC[C@@H]3C(=O)[O-])CC2)=CS1	REAL300002446275	1	46	0.0	-82.72	363.97	8.46	-74.26
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300002446309	0	50	0.0	-86.21	392.18	10.03	-76.18
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300002446314	0	50	0.0	-64.88	383.28	11.78	-53.10
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300002446314	1	50	0.0	-65.13	383.27	11.77	-53.36
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002446398	0	40	0.0	-64.24	318.27	7.35	-56.89
O=C([O-])[C@H]1CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002446415	0	48	0.0	-85.16	346.34	7.15	-78.01
CC[N@H+](CC1=CC=C(C(=O)N2CCC[C@@H]2C(=O)[O-])C=C1)C(C)C	REAL300002446427	0	49	0.0	-56.35	355.06	9.77	-46.58
CC[N@@H+](CC1=CC=C(C(=O)N2CCC[C@@H]2C(=O)[O-])C=C1)C(C)C	REAL300002446427	1	49	0.0	-85.46	350.36	9.87	-75.59
O=C([O-])[C@H]1CCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002446441	0	44	0.0	-72.74	339.10	9.59	-63.15
O=C([O-])[C@H]1CCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002446441	1	44	0.0	-70.32	339.10	9.72	-60.60
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CC(C)N1CC[NH+](CCCC(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300002446597	1	51	0.0	-74.75	370.09	7.19	-67.56
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CC(C(=O)N1CCC[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002446608	1	44	0.0	-64.09	335.14	9.57	-54.52
CC(C(=O)N1CCC[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002446608	1	44	0.0	-64.23	329.23	9.47	-54.76
O=C([O-])[C@H]1CCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002446622	0	47	0.0	-79.89	364.16	10.51	-69.38
O=C([O-])[C@H]1CCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002446622	1	47	0.0	-80.27	362.98	10.50	-69.77
O=C([O-])[C@H]1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002446631	0	47	0.0	-73.79	365.69	10.42	-63.37
O=C([O-])[C@H]1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002446631	1	47	0.0	-63.21	356.13	10.58	-52.63
O=C([O-])[C@H]1CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002446633	0	48	0.0	-74.67	367.26	8.17	-66.50
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC[C@@H]3C(=O)[O-])=C2)CC1	REAL300002446656	0	49	0.0	-57.75	370.84	7.65	-50.10
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300002446657	0	49	0.0	-65.01	364.84	7.60	-57.41
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300002446657	1	49	0.0	-60.82	364.70	7.48	-53.34
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300002446658	0	50	0.0	-61.33	367.62	9.04	-52.29
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002446680	0	51	0.0	-93.32	386.20	7.49	-85.83
O=C([O-])[C@H]1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002446682	0	47	0.0	-65.55	348.22	10.32	-55.23
O=C([O-])[C@H]1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002446682	1	47	0.0	-71.63	354.82	10.17	-61.46
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C1N2	REAL300002446746	1	45	0.0	-93.23	347.68	8.74	-84.49
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC[C@@H]3C(=O)[O-])=CC=C1N2	REAL300002446746	1	45	0.0	-94.13	347.69	8.73	-85.40
CC1=CC=C(N2CCC(C(=O)N3CCC[C@@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300002446776	1	46	0.0	-78.48	352.09	8.05	-70.43
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CC1	REAL300002446779	0	52	0.0	-89.70	380.93	8.70	-81.00
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300002446800	0	47	0.0	-81.99	358.64	10.17	-71.82
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300002446800	1	47	0.0	-74.33	359.47	10.31	-64.02
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300002446813	0	48	0.0	-91.19	379.58	9.73	-81.46
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002446822	0	44	0.0	-86.58	340.09	8.90	-77.68
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300002447199	0	44	0.0	-63.38	336.26	7.97	-55.41
O=C([O-])[C@H]1CCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002447238	0	50	0.0	-76.32	376.43	11.32	-65.00
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300002447240	1	48	0.0	-92.03	360.30	8.50	-83.53
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300002447240	1	48	0.0	-61.59	354.00	8.36	-53.23
CC(C(=O)[O-])N(C)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002448032	0	46	0.0	-70.82	343.02	9.57	-61.25
CC1=NC(C[NH+]2CCC(C(=O)N(C)C(C)C(=O)[O-])CC2)=CS1	REAL300002448920	1	45	0.0	-62.15	353.72	7.44	-54.71
CC(C(=O)[O-])N(C)C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002448945	0	49	0.0	-72.73	381.98	9.43	-63.30
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300002448948	0	49	0.0	-75.06	379.95	11.34	-63.72
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300002448948	1	49	0.0	-77.66	380.09	11.41	-66.25
CC[N@H+](CC1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1)C(C)C	REAL300002449035	0	48	0.0	-75.25	346.91	9.11	-66.14
CC[N@@H+](CC1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1)C(C)C	REAL300002449035	1	48	0.0	-72.41	343.43	8.89	-63.52
CC(C(=O)[O-])N(C)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002449047	0	44	0.0	-62.30	327.07	8.23	-54.07
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002449067	0	49	0.0	-66.45	366.60	10.44	-56.01
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002449067	1	49	0.0	-68.63	365.52	10.40	-58.23
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002449094	0	46	0.0	-73.03	344.82	9.60	-63.43
CCN1CCC([NH+]2CCC(C(=O)N(C)C(C)C(=O)[O-])CC2)CC1	REAL300002449099	0	54	0.0	-66.11	372.93	7.11	-59.00
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300002449104	1	50	0.0	-78.87	377.04	8.56	-70.31
CC(C(=O)[O-])N(C)C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002449113	1	47	0.0	-74.97	354.95	9.05	-65.92
CC(C(=O)[O-])N(C)C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002449113	1	47	0.0	-75.60	354.54	9.15	-66.45
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002449124	0	46	0.0	-76.84	343.47	9.49	-67.35
CC(C(=O)[O-])N(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002449132	1	44	0.0	-71.64	336.83	8.45	-63.19
CC(C(=O)[O-])N(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002449132	1	44	0.0	-55.13	328.86	8.24	-46.89
CC(C(=O)[O-])N(C)C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002449136	0	52	0.0	-56.91	384.05	11.02	-45.89
CC(C(=O)[O-])N(C)C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002449150	0	51	0.0	-70.70	381.28	8.83	-61.87
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)C(C)C(=O)[O-])CC2)=C1	REAL300002449165	0	51	0.0	-66.63	382.12	8.68	-57.95
CC(C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002449166	0	48	0.0	-66.75	360.72	8.02	-58.73
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002449168	0	45	0.0	-64.95	332.88	7.98	-56.97
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002449168	1	45	0.0	-61.30	332.26	7.79	-53.51
CC(C(=O)[O-])N(C)C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002449182	0	46	0.0	-71.18	351.90	9.77	-61.41
CC(C(=O)[O-])N(C)C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002449182	1	46	0.0	-70.66	352.33	9.78	-60.88
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002449190	0	46	0.0	-66.32	349.93	9.54	-56.78
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002449190	1	46	0.0	-60.42	343.79	9.71	-50.71
CC(C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002449192	0	47	0.0	-66.54	357.51	7.44	-59.10
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300002449209	0	48	0.0	-66.01	362.93	7.22	-58.79
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300002449210	0	48	0.0	-72.87	359.51	7.04	-65.83
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300002449210	1	48	0.0	-77.63	360.81	7.08	-70.55
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300002449211	0	49	0.0	-73.90	367.11	8.83	-65.07
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002449228	0	50	0.0	-78.69	375.47	6.84	-71.85
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002449230	0	46	0.0	-59.41	337.42	9.64	-49.77
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002449230	1	46	0.0	-55.11	337.63	9.79	-45.32
CC(C(=O)[O-])N(C)C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300002449284	1	44	0.0	-76.26	338.18	8.18	-68.08
CC(C(=O)[O-])N(C)C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300002449284	1	44	0.0	-77.62	336.15	8.12	-69.50
CC1=CC=C(N2CCC(C(=O)N(C)C(C)C(=O)[O-])CC2)[NH+]=C1	REAL300002449304	1	45	0.0	-65.55	336.47	7.36	-58.19
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)CC1	REAL300002449306	0	51	0.0	-76.82	369.82	8.16	-68.66
CC(C(=O)[O-])N(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300002449318	0	46	0.0	-61.86	346.32	9.72	-52.14
CC(C(=O)[O-])N(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300002449318	1	46	0.0	-63.19	348.05	9.75	-53.44
CC(C(=O)[O-])N(C)C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002449331	0	47	0.0	-76.97	369.07	9.03	-67.94
CC(C(=O)[O-])N(C)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002449646	0	49	0.0	-66.29	367.11	10.51	-55.78
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300002449647	1	47	0.0	-78.49	352.01	7.99	-70.50
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300002449647	1	47	0.0	-78.87	349.62	7.85	-71.02
CCC(CC)(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002450682	0	52	0.0	-74.25	378.33	10.57	-63.68
CCC(CC)(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300002451914	1	51	0.0	-75.93	385.79	8.33	-67.60
CCC(CC)(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002451958	0	55	0.0	-81.15	411.32	10.08	-71.07
CCC(CC)(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002451963	0	55	0.0	-77.67	411.81	12.47	-65.20
CCC(CC)(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002451963	1	55	0.0	-76.56	411.81	12.49	-64.07
CCC(CC)(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002452072	0	45	0.0	-78.76	346.11	8.03	-70.73
CCC(CC)(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002452090	0	53	0.0	-68.88	358.47	7.24	-61.64
CCC(CC)(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300002452109	1	49	0.0	-73.85	355.51	6.93	-66.92
CC[N@H+](CC1=CC=C(C(=O)NC(CC)(CC)C(=O)[O-])C=C1)C(C)C	REAL300002452110	0	54	0.0	-83.21	376.26	10.34	-72.87
CC[N@@H+](CC1=CC=C(C(=O)NC(CC)(CC)C(=O)[O-])C=C1)C(C)C	REAL300002452110	1	54	0.0	-81.83	375.24	10.24	-71.59
CCC(CC)(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002452125	0	49	0.0	-65.75	361.83	9.80	-55.95
CCC(CC)(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002452125	1	49	0.0	-65.69	360.80	9.72	-55.97
CCC(CC)(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002452126	0	50	0.0	-72.90	356.78	9.02	-63.88
CCC(CC)(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002452147	0	53	0.0	-62.61	350.18	6.88	-55.73
CCC(CC)(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002452150	0	48	0.0	-55.96	350.82	9.30	-46.66
CCC(CC)(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002452150	1	48	0.0	-61.22	351.74	9.33	-51.89
CCC(CC)(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002452157	0	55	0.0	-69.87	400.88	11.39	-58.48
CCC(CC)(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002452157	1	55	0.0	-67.89	400.91	11.39	-56.50
CCC[NH+](CCC)CCCC(=O)NC(CC)(CC)C(=O)[O-]	REAL300002452177	0	53	0.0	-67.26	375.03	9.30	-57.96
CCC(CC)(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002452192	0	49	0.0	-83.46	359.03	9.97	-73.49
CCC(CC)(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002452197	0	52	0.0	-72.53	376.66	10.74	-61.79
CCN1CCC([NH+]2CCC(C(=O)NC(CC)(CC)C(=O)[O-])CC2)CC1	REAL300002452203	0	60	0.0	-72.79	407.89	8.10	-64.69
CCC(CC)(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300002452209	1	56	0.0	-85.11	409.94	9.78	-75.33
CCC(CC)(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002452219	1	53	0.0	-77.63	384.80	9.55	-68.08
CCC(CC)(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002452219	1	53	0.0	-77.85	391.29	9.64	-68.21
CCC(CC)(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002452233	1	43	0.0	-79.54	331.40	7.14	-72.40
CCC(CC)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002452236	0	52	0.0	-83.85	376.35	10.70	-73.15
CCC(CC)(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300002452246	1	45	0.0	-75.40	340.65	7.48	-67.92
CCC(CC)(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002452247	0	48	0.0	-87.76	357.88	9.70	-78.06
CCC(CC)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002452250	1	50	0.0	-56.03	361.82	8.84	-47.19
CCC(CC)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002452250	1	50	0.0	-74.14	360.86	8.88	-65.26
CCC(CC)(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002452258	0	58	0.0	-54.95	409.81	11.64	-43.31
CCC(CC)(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002452283	0	48	0.0	-59.57	356.09	9.74	-49.83
CCC(CC)(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002452283	1	48	0.0	-59.73	356.09	9.74	-49.99
CCC(CC)(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300002452284	0	52	0.0	-65.20	385.43	5.96	-59.24
CCC(CC)(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300002452284	1	52	0.0	-64.07	385.10	5.99	-58.08
CCC(CC)(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002452290	0	57	0.0	-71.80	411.55	9.48	-62.32
CCC(CC)(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002452316	0	53	0.0	-71.84	372.30	6.55	-65.29
CCC(CC)(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002452316	1	53	0.0	-63.60	368.62	6.34	-57.26
CCC(CC)(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002452317	0	56	0.0	-71.17	394.09	7.31	-63.86
CCC(CC)(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002452317	1	56	0.0	-67.78	390.41	7.10	-60.68
CCC(CC)(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300002452321	0	57	0.0	-67.84	411.45	9.34	-58.50
CCC(CC)(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002452322	0	54	0.0	-67.51	390.05	8.66	-58.85
CCC(CC)(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002452325	0	51	0.0	-61.69	363.95	8.83	-52.86
CCC(CC)(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002452325	1	51	0.0	-57.21	364.12	8.71	-48.50
CCC(CC)(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002452329	1	49	0.0	-55.23	352.41	9.81	-45.42
CCC(CC)(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002452329	1	49	0.0	-57.93	352.28	9.83	-48.10
CCC(CC)(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002452346	0	52	0.0	-70.83	380.32	10.42	-60.41
CCC(CC)(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002452346	1	52	0.0	-71.50	381.65	10.49	-61.01
CCC(CC)(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002452363	0	52	0.0	-61.52	375.43	10.66	-50.86
CCC(CC)(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002452363	1	52	0.0	-59.16	373.63	10.60	-48.56
CCC(CC)(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002452365	0	53	0.0	-67.97	387.48	8.12	-59.85
CCC(CC)(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002452387	1	52	0.0	-75.37	378.75	8.94	-66.43
CCC(CC)(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002452388	0	52	0.0	-63.41	362.82	9.33	-54.08
CCC(CC)(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002452388	1	52	0.0	-60.36	362.48	9.29	-51.07
CCC(CC)(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300002452406	0	54	0.0	-71.82	393.78	8.31	-63.51
CCC(CC)(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002452407	0	54	0.0	-81.30	393.13	8.10	-73.20
CCC(CC)(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300002452407	1	54	0.0	-84.62	393.19	8.20	-76.42
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300002452408	0	55	0.0	-81.05	396.57	9.71	-71.34
CCC(CC)(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002452461	0	56	0.0	-84.92	408.33	8.05	-76.87
CCC(CC)(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002452463	0	52	0.0	-55.51	369.04	10.60	-44.91
CCC(CC)(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002452463	1	52	0.0	-63.84	378.06	10.56	-53.28
CCC(CC)(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002452543	1	50	0.0	-82.18	369.89	9.32	-72.86
CCC(CC)(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002452543	1	50	0.0	-81.70	370.10	9.30	-72.40
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC)(CC)C(=O)[O-])O1	REAL300002452581	0	48	0.0	-77.35	356.80	8.61	-68.74
CCC(CC)(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300002452583	1	51	0.0	-71.16	371.28	8.42	-62.74
CCC(CC)(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300002452586	0	57	0.0	-84.94	403.40	9.21	-75.73
CCC(CC)(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002452593	1	40	0.0	-77.73	316.23	6.86	-70.87
CCC(CC)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002452617	0	52	0.0	-64.30	372.49	10.11	-54.19
CCC(CC)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002452617	1	52	0.0	-75.88	380.40	10.39	-65.49
CCC(CC)(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002452632	0	53	0.0	-84.50	399.43	9.88	-74.62
CCC(CC)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002452644	0	49	0.0	-78.94	363.09	9.11	-69.83
CCC(CC)(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002452888	0	42	0.0	-73.41	309.30	6.43	-66.98
CCC(CC)(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002452888	1	42	0.0	-75.02	304.83	6.72	-68.30
CCC(CC)(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300002453175	0	48	0.0	-76.99	357.88	9.68	-67.31
CCC(CC)(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002453178	0	49	0.0	-84.77	364.88	8.68	-76.09
CCC(CC)(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002453238	0	55	0.0	-64.26	396.95	11.20	-53.06
CCC(CC)(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002453240	1	53	0.0	-85.82	382.44	9.06	-76.76
CCC(CC)(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002453240	1	53	0.0	-84.67	382.80	9.03	-75.64
CC(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002454481	0	56	0.0	-65.03	423.55	12.24	-52.79
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002455160	0	53	0.0	-48.81	400.04	11.05	-37.76
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002455160	1	53	0.0	-53.48	410.19	11.46	-42.02
CC(CNC(=O)C1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456089	0	50	0.0	-59.83	376.25	10.08	-49.75
CC(CNC(=O)C1CCC[N@@H+]1C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456118	0	47	0.0	-45.82	353.38	9.05	-36.77
CC(CNC(=O)C1CCC[N@H+]1C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456118	1	47	0.0	-50.64	356.79	8.66	-41.98
CC1=[NH+]C=C2CCC(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)CN21	REAL300002456124	1	48	0.0	-55.51	374.66	9.58	-45.93
CC(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456125	0	56	0.0	-54.18	430.06	11.99	-42.19
C[N@@H+]1CCCCC1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002456207	0	46	0.0	-50.10	348.27	8.40	-41.70
C[N@H+]1CCCCC1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002456207	1	46	0.0	-53.39	338.95	8.24	-45.15
CC(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300002456208	1	51	0.0	-63.51	375.73	6.84	-56.67
C[N@@H+]1CCCC[C@H]1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002456252	0	46	0.0	-50.59	342.90	8.63	-41.96
C[N@H+]1CCCC[C@H]1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002456252	1	46	0.0	-53.35	338.95	8.24	-45.11
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300002456299	0	59	0.0	-70.16	460.38	11.57	-58.59
CC(CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456311	0	59	0.0	-48.43	434.68	12.70	-35.73
C[NH+]1CCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002456345	0	46	0.0	-63.72	347.01	8.67	-55.05
CC(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456371	0	41	0.0	-64.51	336.48	10.31	-54.20
C[NH+](C)CC1(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CCCCC1	REAL300002456405	0	55	0.0	-47.35	391.00	10.46	-36.89
C[N@H+](CCC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300002456410	0	55	0.0	-59.12	404.72	10.39	-48.73
C[N@@H+](CCC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300002456410	1	55	0.0	-59.65	404.73	10.41	-49.24
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456428	1	56	0.0	-55.86	431.39	12.01	-43.85
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456428	1	56	0.0	-52.68	427.20	12.13	-40.55
CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456429	1	53	0.0	-52.34	412.76	11.81	-40.53
CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456429	1	53	0.0	-54.24	411.13	11.68	-42.56
C[NH+]1CCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002456481	0	46	0.0	-63.72	347.01	8.67	-55.05
CC(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456486	0	49	0.0	-69.07	390.09	9.67	-59.40
CC(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456510	0	56	0.0	-47.23	397.81	10.81	-36.42
CC(CNC(=O)C1CCCC[N@H+]1C1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456510	1	56	0.0	-49.65	403.88	10.62	-39.03
CC(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456511	0	57	0.0	-54.56	411.51	8.93	-45.63
CC1=[NH+]C=CN1CCCC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002456544	1	47	0.0	-56.96	373.14	9.81	-47.15
CC(CNC(=O)CCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456545	1	53	0.0	-65.56	400.67	8.60	-56.96
CC[N@H+](CC1=CC=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300002456548	0	58	0.0	-67.83	429.45	11.74	-56.09
CC[N@@H+](CC1=CC=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300002456548	1	58	0.0	-71.00	424.60	11.66	-59.34
CC(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456596	0	53	0.0	-60.55	411.24	11.25	-49.30
CC(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002456596	1	53	0.0	-60.68	411.32	11.31	-49.37
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CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300002457141	1	56	0.0	-73.03	422.71	9.20	-63.83
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)=C2)CC1	REAL300002457145	0	58	0.0	-68.45	443.15	9.72	-58.73
C[NH+]1CCN(CC2=CC=C(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300002457146	0	58	0.0	-66.10	436.82	9.78	-56.32
CN1CC[NH+](CC2=CC=C(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300002457146	1	58	0.0	-72.24	442.55	9.60	-62.64
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300002457148	0	59	0.0	-70.19	449.46	11.44	-58.75
CC(C)[NH+]1CCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002457156	0	52	0.0	-61.62	385.21	9.67	-51.95
CC(CNC(=O)C12CC[NH+](CC1)C2)(C(=O)[O-])C1=CC=CC=C1	REAL300002457237	0	44	0.0	-58.93	332.43	7.58	-51.35
CC(CNC(=O)C12CC[N@H+](C1)CCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300002457247	0	47	0.0	-64.72	348.24	8.03	-56.69
CC(CNC(=O)C12CC[N@@H+](C1)CCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300002457247	1	47	0.0	-63.95	347.90	8.03	-55.92
CC1CCC(C)[NH+]1CC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002457301	0	49	0.0	-50.42	363.35	8.69	-41.73
C[NH+](C)CC1=CC=CC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300002457302	0	49	0.0	-71.74	384.47	10.30	-61.44
CC(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457303	0	56	0.0	-57.30	422.08	12.24	-45.06
CC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457303	1	56	0.0	-59.82	427.41	12.01	-47.81
C[NH+](C)C1(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CCC1	REAL300002457342	0	46	0.0	-46.63	330.72	8.54	-38.09
C#CC[NH+]1CCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002457376	0	48	0.0	-64.63	376.09	9.69	-54.94
CCC[N@@H+]1CCCCC1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002457378	0	52	0.0	-50.69	372.78	9.87	-40.82
CCC[N@H+]1CCCCC1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002457378	1	52	0.0	-52.50	387.59	9.79	-42.71
C[NH+](C)CC1=CC=CC=C1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002457379	0	49	0.0	-54.73	373.23	10.72	-44.01
CC[NH+]1CCN(CCC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002457381	0	54	0.0	-63.96	400.51	7.63	-56.33
CCN1CC[NH+](CCC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002457381	1	54	0.0	-57.04	401.01	7.65	-49.39
CC(C)C(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCCC1	REAL300002457383	0	55	0.0	-50.97	395.36	10.27	-40.70
C[NH+](C)C(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300002457384	1	49	0.0	-50.11	381.01	10.31	-39.80
CC(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457388	0	54	0.0	-57.18	419.31	8.23	-48.95
CC(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457388	1	54	0.0	-58.35	420.04	8.28	-50.07
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002457394	1	50	0.0	-52.75	387.84	10.16	-42.59
C[NH+](C)CC1=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)OC2=CC=CC=C21	REAL300002457395	0	52	0.0	-63.73	411.60	10.66	-53.07
CC(CNC(=O)C1CCC[N@@H+]1C1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457400	0	53	0.0	-50.30	385.35	10.52	-39.78
CC(CNC(=O)C1CCC[N@H+]1C1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457400	1	53	0.0	-51.53	389.58	10.20	-41.33
CC[N@H+](CC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300002457402	0	46	0.0	-51.10	354.91	8.84	-42.26
CC[N@@H+](CC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300002457402	1	46	0.0	-49.90	348.78	9.03	-40.87
CC(C)C(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CC(C)OC(C)C1	REAL300002457432	1	59	0.0	-48.02	422.16	9.35	-38.67
CC(C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+]1CCCCCC1	REAL300002457433	0	52	0.0	-49.76	377.41	9.59	-40.17
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)=CC=C1N2	REAL300002457475	1	54	0.0	-77.53	419.27	10.75	-66.78
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)=CC=C1N2	REAL300002457475	1	54	0.0	-77.17	419.47	10.71	-66.46
CC[NH+](CC)CC1=CC=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300002457526	0	52	0.0	-63.58	402.26	10.18	-53.40
CC(CNC(=O)CCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457527	0	52	0.0	-64.57	397.64	10.13	-54.44
CC1=CC=C(N2CCC(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)CC2)[NH+]=C1	REAL300002457529	1	55	0.0	-60.15	416.44	10.08	-50.07
C[N@H+](CC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300002457530	1	49	0.0	-52.67	377.59	10.63	-42.04
C[N@@H+](CC(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=CC=C1	REAL300002457530	1	49	0.0	-56.87	382.97	10.40	-46.47
CC(C)[C@@H](C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1)[NH+](C)C	REAL300002457541	0	48	0.0	-50.96	354.13	8.50	-42.46
CC(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457558	1	44	0.0	-71.33	361.70	8.45	-62.88
C[NH+](C)CC1=CC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=NO1	REAL300002457588	1	45	0.0	-74.76	361.52	8.03	-66.73
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002457592	0	56	0.0	-59.42	422.44	12.05	-47.37
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002457592	1	56	0.0	-59.49	422.93	12.07	-47.42
CC(C)[N@@H+]1CCCC1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002457608	0	49	0.0	-51.20	354.88	9.26	-41.94
CC(C)[N@H+]1CCCC1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002457608	1	49	0.0	-52.31	365.11	8.94	-43.37
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C[NH+]1CCC(OCC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002457635	0	50	0.0	-69.06	386.25	8.90	-60.16
CC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457640	0	53	0.0	-66.91	412.46	10.50	-56.41
CCC[N@@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002457839	0	52	0.0	-58.83	390.08	9.84	-48.99
CCC[N@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002457839	1	52	0.0	-56.94	384.68	10.07	-46.87
CC(C)C[N@@H+]1CCCC1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002457871	0	52	0.0	-53.35	385.26	9.47	-43.88
CC(C)C[N@H+]1CCCC1C(=O)NCC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300002457871	1	52	0.0	-53.28	385.27	9.48	-43.80
CC(CNC(=O)C[NH+]1CCC(CO)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002457872	1	50	0.0	-54.98	380.10	5.99	-48.99
CC(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)(C(=O)[O-])C1=CC=CC=C1	REAL300002457979	0	57	0.0	-59.94	431.07	12.42	-47.52
CC(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)(C(=O)[O-])C1=CC=CC=C1	REAL300002457979	1	57	0.0	-65.44	437.19	12.23	-53.21
CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002458024	1	56	0.0	-54.40	416.61	12.11	-42.29
CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002458024	1	56	0.0	-48.72	417.77	11.97	-36.75
CC(C)[N@@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002458115	0	52	0.0	-52.18	377.73	9.79	-42.39
CC(C)[N@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002458115	1	52	0.0	-57.37	385.19	9.61	-47.76
C[N@@H+]1CC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(C(F)(F)F)C1	REAL300002458116	0	46	0.0	-54.27	369.91	8.61	-45.66
C[N@H+]1CC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C(C(F)(F)F)C1	REAL300002458116	1	46	0.0	-54.96	363.69	8.32	-46.64
CC1=C(C)[NH+]=C(CCC(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)N1	REAL300002458141	1	47	0.0	-55.11	376.55	8.10	-47.01
C[NH+](C)CCC1=CC=CC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300002458652	0	52	0.0	-70.61	402.82	11.24	-59.37
C[NH+](C)CCOC1=CC=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300002458660	0	53	0.0	-71.75	414.26	10.10	-61.65
CC(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002458758	0	59	0.0	-65.20	446.02	12.75	-52.45
CC1CN(CC2=CC=C(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)C=C2)CCO1	REAL300002458760	0	57	0.0	-74.30	431.82	10.47	-63.83
CC1C[N@H+](CC2=CC=C(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)C=C2)CCO1	REAL300002458760	1	57	0.0	-73.63	431.88	10.47	-63.16
CC1C[N@@H+](CC2=CC=C(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)C=C2)CCO1	REAL300002458760	1	57	0.0	-73.63	431.88	10.47	-63.16
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002458805	0	46	0.0	-62.36	352.00	8.72	-53.64
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002458809	0	52	0.0	-52.73	374.47	9.61	-43.12
CC1=[NH+]C=C2C=CC(C(=O)NCC(C)(C(=O)[O-])C3=CC=CC=C3)=CN21	REAL300002458813	0	44	0.0	-57.98	353.99	10.26	-47.72
CC(C)C[N@@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002458878	0	55	0.0	-55.08	401.24	10.72	-44.36
CC(C)C[N@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002458878	1	55	0.0	-56.00	403.58	10.70	-45.30
CC[N@@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002458879	0	49	0.0	-54.01	362.30	9.30	-44.71
CC[N@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002458879	1	49	0.0	-59.96	368.56	9.10	-50.86
C[N@@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002458883	0	46	0.0	-55.80	344.65	8.64	-47.16
C[N@H+]1CCCC(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002458883	1	46	0.0	-52.94	340.49	8.75	-44.19
C[NH+](C)CC1=CC=C(C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300002458885	1	46	0.0	-67.57	366.98	8.81	-58.76
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002458891	0	55	0.0	-68.58	388.67	9.48	-59.10
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300002458891	1	55	0.0	-67.48	396.32	9.94	-57.54
CC(CNC(=O)C12CC(C1)C[N@H+]2C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002458894	1	48	0.0	-54.49	364.95	9.36	-45.13
O=C([O-])C1CCCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002460155	0	50	0.0	-83.26	373.03	10.77	-72.49
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300002460929	0	47	0.0	-71.36	353.91	10.15	-61.21
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300002460929	1	47	0.0	-67.17	349.15	9.71	-57.46
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300002461637	1	47	0.0	-69.57	366.22	10.28	-59.29
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300002461637	1	47	0.0	-72.74	369.51	10.67	-62.07
O=C([O-])C1CCCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300002461708	0	50	0.0	-69.95	370.08	10.44	-59.51
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC(C(=O)[O-])C3)CC2)=CS1	REAL300002461769	1	49	0.0	-79.08	380.00	8.83	-70.25
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002461826	0	53	0.0	-80.76	406.22	10.43	-70.33
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300002461839	0	53	0.0	-82.80	405.92	12.36	-70.44
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300002461839	1	53	0.0	-81.77	405.63	12.36	-69.41
CC1(C(=O)N2CCCC(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002461840	0	53	0.0	-69.71	376.81	10.69	-59.02
O=C([O-])C1CCCN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002461878	0	50	0.0	-74.40	379.64	10.35	-64.05
O=C([O-])C1CCCN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002461878	1	50	0.0	-70.28	378.53	10.34	-59.94
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300002461932	1	50	0.0	-71.83	376.55	10.88	-60.95
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300002461932	1	50	0.0	-71.32	376.32	10.85	-60.47
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300002461933	1	47	0.0	-70.42	355.90	9.83	-60.59
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300002461933	1	47	0.0	-73.77	359.18	10.22	-63.55
O=C([O-])C1CCCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300002461981	0	43	0.0	-79.38	342.34	7.98	-71.40
C[NH+](C)CCN1N=CC(C(=O)N2CCCC(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300002461986	0	53	0.0	-80.93	410.17	10.26	-70.67
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300002462010	0	50	0.0	-65.10	348.42	9.40	-55.70
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300002462010	1	50	0.0	-64.72	347.81	9.38	-55.34
O=C([O-])C1CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300002462011	0	51	0.0	-82.75	363.33	7.77	-74.98
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1)C(C)C	REAL300002462033	0	52	0.0	-80.43	375.83	10.29	-70.14
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1)C(C)C	REAL300002462033	1	52	0.0	-80.60	369.96	10.01	-70.59
O=C([O-])C1CCCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002462054	0	47	0.0	-76.92	354.24	10.03	-66.89
O=C([O-])C1CCCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002462054	1	47	0.0	-75.51	353.60	9.96	-65.55
O=C([O-])C1CCCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300002462055	0	48	0.0	-83.29	351.94	9.21	-74.08
C[NH+]1CCN(C(C(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300002462076	1	52	0.0	-71.54	376.92	7.90	-63.64
O=C([O-])C1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300002462077	0	51	0.0	-75.60	348.92	7.55	-68.05
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300002462080	0	46	0.0	-71.46	345.34	9.57	-61.89
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002462080	1	46	0.0	-71.45	345.59	9.61	-61.84
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300002462087	0	53	0.0	-79.76	396.11	11.62	-68.14
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300002462087	1	53	0.0	-58.68	395.88	11.64	-47.04
O=C([O-])C1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300002462124	1	51	0.0	-66.05	369.32	6.87	-59.18
CC[N@H+](C)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002462125	0	46	0.0	-64.97	341.11	9.52	-55.45
CC[N@@H+](C)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002462125	1	46	0.0	-64.23	338.08	9.48	-54.75
CC[NH+](CC)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002462130	0	49	0.0	-66.36	350.84	9.84	-56.52
C[NH+](C)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300002462133	1	43	0.0	-68.98	337.38	9.35	-59.63
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300002462147	0	47	0.0	-85.18	355.49	9.98	-75.20
O=C([O-])C1CCCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300002462153	0	50	0.0	-77.65	370.78	10.63	-67.02
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(C(=O)[O-])C3)CC2)CC1	REAL300002462159	0	58	0.0	-79.87	406.79	8.48	-71.39
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300002462165	1	54	0.0	-87.09	405.58	9.71	-77.38
O=C([O-])C1CCCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002462176	1	51	0.0	-84.87	387.37	10.25	-74.62
O=C([O-])C1CCCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002462176	1	51	0.0	-87.68	380.42	10.19	-77.49
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300002462191	0	50	0.0	-67.95	370.37	10.82	-57.13
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300002462191	1	50	0.0	-70.27	362.12	10.46	-59.81
CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300002462193	1	41	0.0	-71.03	324.46	7.16	-63.87
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300002462201	0	50	0.0	-85.42	372.23	10.69	-74.73
O=C([O-])C1CCCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300002462212	1	43	0.0	-80.10	334.31	8.13	-71.97
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002462213	0	46	0.0	-87.08	353.16	9.68	-77.40
O=C([O-])C1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002462220	1	48	0.0	-77.88	355.21	9.27	-68.61
O=C([O-])C1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002462220	1	48	0.0	-78.33	355.80	9.31	-69.02
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002462224	0	57	0.0	-67.70	418.93	11.22	-56.48
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002462224	1	57	0.0	-65.09	411.64	10.96	-54.13
CC(C(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002462232	0	56	0.0	-73.37	402.82	11.85	-61.52
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002462264	0	46	0.0	-74.47	351.29	10.06	-64.41
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002462264	1	46	0.0	-74.49	351.28	10.07	-64.42
COCCOCC[N@H+](C)CCC(=O)N1CCCC(C(=O)[O-])C1	REAL300002462265	0	50	0.0	-75.88	380.97	6.34	-69.54
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(C(=O)[O-])C1	REAL300002462265	1	50	0.0	-77.35	381.05	6.34	-71.01
O=C([O-])C1CCCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300002462274	0	55	0.0	-81.54	407.17	9.85	-71.69
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300002462275	1	49	0.0	-74.33	356.75	8.69	-65.64
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300002462275	1	49	0.0	-74.46	357.39	8.72	-65.74
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300002462276	1	49	0.0	-68.67	364.82	8.96	-59.71
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300002462276	1	49	0.0	-72.28	357.08	8.69	-63.59
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002462303	0	51	0.0	-75.37	367.50	6.85	-68.52
CC(C)N1CC[NH+](CCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002462303	1	51	0.0	-76.20	364.71	6.69	-69.51
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002462304	0	54	0.0	-73.79	389.69	7.70	-66.09
CC(C)N1CC[NH+](CCCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002462304	1	54	0.0	-77.24	386.53	7.52	-69.72
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300002462309	0	55	0.0	-80.33	406.56	9.68	-70.65
O=C([O-])C1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300002462310	0	52	0.0	-80.46	385.67	9.06	-71.40
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300002462314	0	49	0.0	-60.69	366.78	8.92	-51.77
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300002462314	1	49	0.0	-59.40	368.20	8.92	-50.48
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002462318	0	47	0.0	-71.08	347.10	9.95	-61.13
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002462318	1	47	0.0	-71.53	346.99	9.97	-61.56
CCC(CC)C(C(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300002462330	1	53	0.0	-64.54	356.91	7.85	-56.69
O=C([O-])C1CCCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002462344	0	50	0.0	-81.72	378.16	10.96	-70.76
O=C([O-])C1CCCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002462344	1	50	0.0	-81.08	377.65	10.94	-70.14
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=NN1	REAL300002462359	1	44	0.0	-82.13	335.02	7.01	-75.12
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=NN1	REAL300002462359	1	44	0.0	-79.53	328.42	6.45	-73.08
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300002462369	0	50	0.0	-78.14	379.59	10.80	-67.34
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300002462369	1	50	0.0	-59.20	379.73	10.84	-48.36
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300002462370	1	46	0.0	-66.61	346.16	8.17	-58.44
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300002462370	1	46	0.0	-66.14	345.22	7.93	-58.21
O=C([O-])C1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300002462372	0	51	0.0	-80.40	382.89	8.43	-71.97
O=C([O-])C1CCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300002462403	0	50	0.0	-75.18	355.37	9.43	-65.75
O=C([O-])C1CCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300002462403	1	50	0.0	-75.91	353.64	9.37	-66.54
O=C([O-])C1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300002462418	0	55	0.0	-77.26	401.43	9.57	-67.69
O=C([O-])C1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300002462418	1	55	0.0	-82.34	401.87	9.48	-72.86
CC(C)[N@@H+]1CCC(C(=O)N2CCCC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300002462424	0	56	0.0	-83.90	413.27	9.63	-74.27
CC(C)[N@H+]1CCC(C(=O)N2CCCC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300002462424	1	56	0.0	-77.61	397.79	9.36	-68.25
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300002462425	0	50	0.0	-87.61	379.48	8.44	-79.17
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300002462425	1	50	0.0	-81.95	363.99	8.14	-73.81
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(C(=O)[O-])C3)=C2)CC1	REAL300002462430	0	52	0.0	-79.78	389.38	8.25	-71.53
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300002462431	0	52	0.0	-81.44	388.52	8.24	-73.20
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300002462431	1	52	0.0	-86.46	388.76	8.13	-78.33
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002462432	0	53	0.0	-83.27	393.94	9.92	-73.35
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300002462504	0	54	0.0	-88.20	403.90	7.99	-80.21
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002462506	0	50	0.0	-79.25	373.71	10.79	-68.46
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002462506	1	50	0.0	-54.90	364.17	10.81	-44.09
O=C([O-])C1CCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002462560	0	48	0.0	-54.39	361.07	7.09	-47.30
O=C([O-])C1CCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002462560	1	48	0.0	-71.49	359.42	7.12	-64.37
C[NH+](C)CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300002462564	0	46	0.0	-62.36	355.14	9.44	-52.92
CC[NH+](CC)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300002462566	0	52	0.0	-68.48	388.65	10.97	-57.51
O=C([O-])C1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300002462590	1	48	0.0	-64.27	361.92	10.44	-53.83
CC(C)C(C(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300002462591	1	53	0.0	-68.37	360.91	7.72	-60.65
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C(=O)[O-])C3)=CC=C1N2	REAL300002462613	1	48	0.0	-81.30	365.84	9.22	-72.08
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C(=O)[O-])C3)=CC=C1N2	REAL300002462613	1	48	0.0	-71.80	362.85	9.14	-62.66
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300002462663	0	46	0.0	-52.94	349.35	8.77	-44.17
CC1=CC=C(N2CCC(C(=O)N3CCCC(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300002462665	1	49	0.0	-54.01	366.24	8.66	-45.35
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300002462668	0	55	0.0	-82.77	398.74	9.20	-73.57
O=C([O-])C1CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300002462677	1	38	0.0	-79.91	310.05	6.79	-73.12
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002462708	0	50	0.0	-75.92	369.05	10.71	-65.21
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002462708	1	50	0.0	-75.05	372.04	10.73	-64.32
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002462724	0	51	0.0	-83.15	393.46	10.14	-73.01
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300002462740	0	47	0.0	-54.60	354.64	9.18	-45.42
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002462766	0	49	0.0	-77.65	362.82	8.67	-68.98
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002462766	1	49	0.0	-71.67	361.73	8.63	-63.04
O=C([O-])C1CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300002462959	0	51	0.0	-79.16	376.37	10.81	-68.35
O=C([O-])C1CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300002462959	1	51	0.0	-84.62	379.23	10.83	-73.79
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300002462987	1	50	0.0	-73.65	376.33	10.88	-62.77
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300002462987	1	50	0.0	-71.02	368.79	10.52	-60.50
C[N@@H+]1CC(C(=O)N2CCCC(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300002463050	0	40	0.0	-82.23	312.26	7.19	-75.04
C[N@H+]1CC(C(=O)N2CCCC(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300002463050	1	40	0.0	-85.92	301.42	7.37	-78.55
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CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300002466882	1	57	0.0	-64.51	411.59	11.87	-52.64
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CC(C(=O)N1CCC[C@@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002466976	1	47	0.0	-49.19	348.69	9.97	-39.22
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C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300002467089	0	52	0.0	-80.00	388.72	8.25	-71.75
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300002467089	1	52	0.0	-84.70	388.84	8.14	-76.56
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300002467090	0	53	0.0	-82.08	394.31	9.91	-72.17
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300002467162	0	54	0.0	-87.74	403.99	8.00	-79.74
O=C([O-])[C@@H]1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002467164	0	50	0.0	-74.90	365.86	10.94	-63.96
O=C([O-])[C@@H]1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002467164	1	50	0.0	-76.46	363.64	10.63	-65.83
O=C([O-])[C@@H]1CCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002467218	0	48	0.0	-72.00	359.70	7.00	-65.00
O=C([O-])[C@@H]1CCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002467218	1	48	0.0	-74.11	364.13	7.06	-67.05
C[NH+](C)CC1=C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)OC2=CC=CC=C21	REAL300002467222	0	46	0.0	-60.86	348.11	9.49	-51.37
CC[NH+](CC)C(C(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300002467224	0	52	0.0	-69.73	387.84	10.86	-58.87
O=C([O-])[C@@H]1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300002467248	1	48	0.0	-65.82	365.83	10.55	-55.27
CC(C)C(C(=O)N1CCC[C@@H](C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300002467249	1	53	0.0	-68.18	378.03	8.10	-60.08
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C1N2	REAL300002467271	1	48	0.0	-82.06	364.88	9.21	-72.85
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C1N2	REAL300002467271	1	48	0.0	-87.24	365.84	9.24	-78.00
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)O1	REAL300002467321	0	46	0.0	-80.78	345.16	8.49	-72.29
CC1=CC=C(N2CCC(C(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2)[NH+]=C1	REAL300002467323	1	49	0.0	-75.41	365.16	8.44	-66.97
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300002467326	0	55	0.0	-84.48	393.00	8.89	-75.59
O=C([O-])[C@@H]1CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300002467335	1	38	0.0	-79.82	310.23	6.81	-73.01
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300002467366	0	50	0.0	-75.90	373.14	10.92	-64.98
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300002467366	1	50	0.0	-81.93	374.19	10.58	-71.35
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300002467382	0	51	0.0	-84.11	393.46	10.14	-73.97
O=C([O-])[C@@H]1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300002467398	0	47	0.0	-81.19	355.04	9.28	-71.91
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC[C@@H](C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002467424	0	49	0.0	-55.78	365.95	8.83	-46.95
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC[C@@H](C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002467424	1	49	0.0	-70.63	360.85	8.61	-62.02
O=C([O-])[C@@H]1CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300002467617	0	51	0.0	-80.96	375.68	10.86	-70.10
O=C([O-])[C@@H]1CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300002467617	1	51	0.0	-79.63	378.57	10.87	-68.76
O=C([O-])[C@@H]1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300002467645	1	50	0.0	-73.40	365.45	10.34	-63.06
O=C([O-])[C@@H]1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300002467645	1	50	0.0	-73.44	376.74	10.90	-62.54
C[N@@H+]1CC(C(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300002467708	0	40	0.0	-79.94	299.95	7.48	-72.46
C[N@H+]1CC(C(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300002467708	1	40	0.0	-88.30	298.41	7.68	-80.62
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300002468065	0	46	0.0	-79.74	352.62	9.64	-70.10
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300002468069	0	47	0.0	-83.79	358.31	8.56	-75.23
O=C([O-])[C@@H]1CCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002468134	0	53	0.0	-77.85	392.22	11.61	-66.24
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)CCO1	REAL300002468136	1	51	0.0	-87.23	382.93	8.97	-78.26
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)CCO1	REAL300002468136	1	51	0.0	-87.48	378.17	9.00	-78.48
CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002468279	0	52	0.0	-45.16	379.90	9.65	-35.51
C=CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002469574	0	50	0.0	-74.00	391.54	10.39	-63.61
C=CCCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002470348	0	47	0.0	-58.35	368.57	9.34	-49.01
C=CCCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002470348	1	47	0.0	-58.30	368.25	9.39	-48.91
C=CCCC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300002471127	0	50	0.0	-64.17	394.48	10.37	-53.80
C=CCCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300002471188	1	49	0.0	-73.90	399.27	8.20	-65.70
C=CCCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002471245	0	53	0.0	-77.61	424.81	9.95	-67.66
C=CCCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002471258	0	53	0.0	-77.96	425.60	12.28	-65.68
C=CCCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002471258	1	53	0.0	-76.94	424.77	12.34	-64.60
C=CCCC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002471259	0	53	0.0	-53.87	402.38	10.86	-43.01
C=CCCC(NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002471297	0	50	0.0	-55.93	406.31	10.81	-45.12
C=CCCC(NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002471297	1	50	0.0	-56.58	407.45	10.73	-45.85
C=CCCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002471351	1	50	0.0	-62.08	384.22	10.26	-51.82
C=CCCC(NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002471351	1	50	0.0	-54.83	395.52	10.48	-44.35
C=CCCC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002471352	1	47	0.0	-64.75	382.17	10.06	-54.69
C=CCCC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002471352	1	47	0.0	-52.92	374.07	9.45	-43.47
C=CCCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002471400	0	43	0.0	-78.12	359.89	7.86	-70.26
C=CCCC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300002471405	0	53	0.0	-80.23	423.78	10.02	-70.21
C=CCCC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300002471429	0	50	0.0	-56.15	367.60	8.99	-47.16
C=CCCC(NC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300002471429	1	50	0.0	-56.42	361.25	9.14	-47.28
C=CCCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002471430	0	51	0.0	-76.63	382.21	7.54	-69.09
C=CCCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002471452	0	52	0.0	-79.24	389.22	10.20	-69.04
C=CCCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002471452	1	52	0.0	-78.74	388.19	10.10	-68.64
C=CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002471473	0	47	0.0	-66.62	374.29	9.60	-57.02
C=CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002471473	1	47	0.0	-66.72	375.73	9.71	-57.01
C=CCCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002471474	0	48	0.0	-72.08	370.31	8.91	-63.17
C=CCCC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300002471495	1	52	0.0	-69.01	404.15	8.52	-60.49
C=CCCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002471496	0	51	0.0	-64.94	367.12	7.16	-57.78
C=CCCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002471499	0	46	0.0	-57.11	365.48	9.25	-47.86
C=CCCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002471499	1	46	0.0	-57.57	365.51	9.19	-48.38
C=CCCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002471506	0	53	0.0	-67.97	414.14	11.33	-56.64
C=CCCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002471506	1	53	0.0	-70.75	414.36	11.27	-59.48
C=CCCC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300002471543	1	51	0.0	-58.67	397.81	7.19	-51.48
C=CCCC(NC(=O)C(C1=CC=CC=C1)[N@@H+](C)CC)C(=O)[O-]	REAL300002471544	0	46	0.0	-51.86	352.69	8.99	-42.87
C=CCCC(NC(=O)C(C1=CC=CC=C1)[N@H+](C)CC)C(=O)[O-]	REAL300002471544	1	46	0.0	-51.86	363.25	9.35	-42.51
C=CCCC(NC(=O)C(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300002471549	0	49	0.0	-49.87	363.28	9.19	-40.68
C=CCCC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300002471552	1	43	0.0	-55.02	362.13	9.22	-45.80
C=CCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002471566	0	47	0.0	-79.04	371.99	9.82	-69.22
C=CCCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002471572	0	50	0.0	-72.66	390.45	10.55	-62.11
C=CCCC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300002471578	0	58	0.0	-70.15	425.60	8.15	-62.00
C=CCCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300002471584	1	54	0.0	-83.29	422.89	9.63	-73.66
C=CCCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002471595	1	51	0.0	-77.10	398.29	9.68	-67.42
C=CCCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002471595	1	51	0.0	-73.73	404.23	9.78	-63.95
C=CCCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002471610	0	50	0.0	-52.46	389.15	10.42	-42.04
C=CCCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002471610	1	50	0.0	-54.31	379.94	10.19	-44.12
C=CCCC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002471612	1	41	0.0	-79.16	346.50	7.09	-72.07
C=CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002471620	0	50	0.0	-80.52	390.14	10.51	-70.01
C=CCCC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300002471631	1	43	0.0	-76.55	353.90	7.36	-69.19
C=CCCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002471632	0	46	0.0	-84.37	370.54	9.59	-74.78
C=CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002471639	1	48	0.0	-57.68	377.69	9.06	-48.62
C=CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002471639	1	48	0.0	-55.64	376.89	9.10	-46.54
C=CCCC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300002471643	0	57	0.0	-64.34	434.68	12.10	-52.24
C=CCCC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300002471643	1	57	0.0	-61.80	427.50	11.82	-49.98
C=CCCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002471651	0	56	0.0	-56.59	423.59	11.57	-45.02
C=CCCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002471683	0	46	0.0	-60.54	369.04	9.70	-50.84
C=CCCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002471683	1	46	0.0	-61.11	369.63	9.72	-51.39
C=CCCC(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300002471684	0	50	0.0	-64.99	398.04	5.86	-59.13
C=CCCC(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300002471684	1	50	0.0	-64.86	398.09	5.88	-58.98
C=CCCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002471693	0	55	0.0	-72.51	425.04	9.35	-63.16
C=CCCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002471722	0	51	0.0	-70.32	385.84	6.44	-63.88
C=CCCC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002471722	1	51	0.0	-64.01	381.57	6.22	-57.79
C=CCCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002471723	0	54	0.0	-68.71	407.58	7.19	-61.52
C=CCCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002471723	1	54	0.0	-68.34	403.90	6.97	-61.37
C=CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300002471728	0	55	0.0	-68.70	424.94	9.22	-59.48
C=CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002471729	0	52	0.0	-67.35	402.71	8.58	-58.77
C=CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002471733	0	49	0.0	-66.43	380.55	8.85	-57.58
C=CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002471733	1	49	0.0	-66.44	380.49	8.84	-57.60
C=CCCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002471737	1	47	0.0	-56.85	365.35	9.77	-47.08
C=CCCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002471737	1	47	0.0	-59.69	365.77	9.77	-49.92
C=CCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002471763	0	50	0.0	-72.11	393.07	10.38	-61.73
C=CCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002471763	1	50	0.0	-72.71	396.20	10.47	-62.24
C=CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002471788	0	50	0.0	-65.15	391.12	10.71	-54.44
C=CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002471788	1	50	0.0	-66.12	398.25	10.47	-55.65
C=CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002471791	0	51	0.0	-67.01	400.43	8.00	-59.01
C=CCCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002471821	1	50	0.0	-79.50	388.28	8.64	-70.86
C=CCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002471822	0	50	0.0	-64.86	376.21	9.13	-55.73
C=CCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002471822	1	50	0.0	-66.44	376.06	9.09	-57.35
C=CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002471837	0	55	0.0	-69.64	423.65	9.25	-60.39
C=CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002471837	1	55	0.0	-69.73	423.31	9.21	-60.52
C=CCCC(NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002471843	0	56	0.0	-73.24	413.45	8.46	-64.78
C=CCCC(NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002471843	1	56	0.0	-72.49	413.49	8.45	-64.04
C=CCCC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002471844	0	50	0.0	-73.34	371.32	7.19	-66.15
C=CCCC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002471844	1	50	0.0	-73.99	394.50	8.10	-65.89
C=CCCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300002471849	0	52	0.0	-70.74	407.33	8.18	-62.56
C=CCCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002471850	0	52	0.0	-77.98	406.62	7.94	-70.04
C=CCCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300002471850	1	52	0.0	-81.16	406.97	8.01	-73.15
C=CCCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300002471851	0	53	0.0	-79.16	413.88	9.85	-69.31
C=CCCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002471923	0	54	0.0	-83.93	422.12	7.86	-76.07
C=CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002471925	0	50	0.0	-64.17	391.64	10.46	-53.71
C=CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002471925	1	50	0.0	-62.88	391.57	10.46	-52.42
C=CCCC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002471979	0	48	0.0	-62.59	384.36	6.72	-55.87
C=CCCC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002471979	1	48	0.0	-61.26	383.83	6.74	-54.52
C=CCCC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300002471983	0	46	0.0	-58.92	369.74	9.10	-49.82
C=CCCC(NC(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300002471985	0	52	0.0	-61.62	411.14	10.48	-51.14
C=CCCC(NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300002472010	1	53	0.0	-52.37	390.23	8.22	-44.15
C=CCCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002472032	1	48	0.0	-80.85	383.68	9.14	-71.71
C=CCCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002472032	1	48	0.0	-80.71	383.89	9.12	-71.59
C=CCCC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300002472082	0	46	0.0	-72.96	371.08	8.39	-64.57
C=CCCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300002472084	1	49	0.0	-70.02	384.53	8.35	-61.67
C=CCCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300002472087	0	55	0.0	-80.81	416.90	9.08	-71.73
C=CCCC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002472096	1	38	0.0	-76.36	329.19	6.69	-69.67
C=CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002472127	0	50	0.0	-70.30	395.45	10.20	-60.10
C=CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002472127	1	50	0.0	-74.21	396.08	10.33	-63.88
C=CCCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002472143	0	51	0.0	-81.48	412.99	9.73	-71.75
C=CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002472159	0	47	0.0	-75.98	375.58	8.87	-67.11
C=CCCC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002472185	0	49	0.0	-61.19	384.49	8.45	-52.74
C=CCCC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002472185	1	49	0.0	-53.34	383.87	8.48	-44.86
C=CCCC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002472378	0	51	0.0	-66.63	399.17	10.72	-55.91
C=CCCC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002472378	1	51	0.0	-75.50	399.46	10.76	-64.74
C=CCCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300002472406	1	50	0.0	-56.96	394.91	10.47	-46.49
C=CCCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300002472406	1	50	0.0	-65.14	395.77	10.42	-54.72
C=CCCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002472469	0	40	0.0	-77.74	334.25	6.98	-70.76
C=CCCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002472469	1	40	0.0	-67.80	335.03	6.95	-60.85
C=CCCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300002472826	0	46	0.0	-78.04	371.38	9.53	-68.51
C=CCCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002472830	0	47	0.0	-80.29	377.84	8.55	-71.74
C=CCCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002472895	0	53	0.0	-68.85	410.44	11.15	-57.70
C=CCCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002472897	1	51	0.0	-83.18	396.01	8.93	-74.25
C=CCCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002472897	1	51	0.0	-82.39	396.30	8.88	-73.51
O=C([O-])C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CS1	REAL300002474062	0	47	0.0	-74.52	384.67	10.32	-64.20
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=CS1	REAL300002475397	0	41	0.0	-68.93	333.66	7.89	-61.04
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CC=CS3)CN21	REAL300002475420	1	39	0.0	-60.50	331.82	7.77	-52.73
CC1=NC(C[NH+]2CCC(C(=O)NC(C(=O)[O-])C3=CC=CS3)CC2)=CS1	REAL300002475481	1	46	0.0	-72.58	392.76	8.02	-64.56
CC(C(=O)NC(C(=O)[O-])C1=CC=CS1)N1CC[NH+](C)CC1	REAL300002475482	1	42	0.0	-68.83	337.22	4.95	-63.88
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(C(=O)[O-])C2=CC=CS2)C=C1	REAL300002475553	0	50	0.0	-78.06	418.04	9.87	-68.19
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=CS2)=C1	REAL300002475558	0	50	0.0	-79.76	419.04	12.12	-67.64
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=CS2)=C1	REAL300002475558	1	50	0.0	-79.45	418.79	12.19	-67.26
O=C([O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=CS1	REAL300002475610	0	32	0.0	-69.18	294.14	8.63	-60.55
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=CS2)CCCCC1	REAL300002475635	0	46	0.0	-70.89	348.91	8.70	-62.19
C[N@H+](CCC(=O)NC(C(=O)[O-])C1=CC=CS1)C1CCCCC1	REAL300002475638	0	46	0.0	-63.59	362.39	8.71	-54.88
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1=CC=CS1)C1CCCCC1	REAL300002475638	1	46	0.0	-64.03	362.59	8.61	-55.42
O=C([O-])C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=CS1	REAL300002475699	0	40	0.0	-77.89	353.23	7.75	-70.14
O=C([O-])C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=CC=CS1	REAL300002475715	0	48	0.0	-75.86	375.71	7.38	-68.48
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300002475743	1	38	0.0	-65.92	335.19	7.93	-57.99
O=C(CCCC[NH+]1CCOCC1)NC(C(=O)[O-])C1=CC=CS1	REAL300002475744	1	44	0.0	-72.94	362.21	6.70	-66.24
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CS2)C=C1)C(C)C	REAL300002475745	0	49	0.0	-78.78	390.96	10.14	-68.64
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CS2)C=C1)C(C)C	REAL300002475745	1	49	0.0	-78.42	381.47	9.79	-68.63
O=C([O-])C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CS1	REAL300002475763	0	44	0.0	-64.29	368.67	9.54	-54.75
O=C([O-])C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CS1	REAL300002475763	1	44	0.0	-65.29	369.20	9.53	-55.76
O=C([O-])C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=CC=CS1	REAL300002475764	0	45	0.0	-76.25	368.00	8.92	-67.33
O=C([O-])C(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=CC=CS1	REAL300002475792	0	48	0.0	-66.75	357.14	6.71	-60.04
CC(C(=O)NC(C(=O)[O-])C1=CC=CS1)[N@H+](C)CC1=CC=CC=C1	REAL300002475797	0	43	0.0	-56.66	359.33	9.04	-47.62
CC(C(=O)NC(C(=O)[O-])C1=CC=CS1)[N@@H+](C)CC1=CC=CC=C1	REAL300002475797	1	43	0.0	-54.96	358.36	9.08	-45.88
O=C([O-])C(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=CC=CS1	REAL300002475805	0	50	0.0	-59.04	400.97	11.36	-47.68
O=C([O-])C(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=CC=CS1	REAL300002475805	1	50	0.0	-67.01	407.21	11.15	-55.86
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CS2)C=N1	REAL300002475821	0	39	0.0	-76.93	338.15	7.05	-69.88
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300002475828	0	48	0.0	-66.97	386.50	9.32	-57.65
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300002475835	1	38	0.0	-55.11	329.71	7.86	-47.25
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=CC=CS1	REAL300002475848	0	44	0.0	-80.51	366.55	9.74	-70.77
O=C([O-])C(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=CC=CS1	REAL300002475853	0	47	0.0	-74.15	383.30	10.43	-63.72
CCN1CCC([NH+]2CCC(C(=O)NC(C(=O)[O-])C3=CC=CS3)CC2)CC1	REAL300002475859	0	55	0.0	-70.54	413.98	7.62	-62.92
CC1C[NH+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3=CC=CS3)C=C2)CC(C)O1	REAL300002475866	1	51	0.0	-83.38	416.99	9.49	-73.89
O=C([O-])C(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1=CC=CS1	REAL300002475877	1	48	0.0	-76.35	391.76	9.51	-66.84
O=C([O-])C(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=CC=CS1	REAL300002475877	1	48	0.0	-76.53	391.19	9.57	-66.96
CC1=C(C(=O)NC(C(=O)[O-])C2=CC=CS2)C=NN1C1=CC=[NH+]C=C1	REAL300002475893	1	38	0.0	-79.52	339.73	7.00	-72.52
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=CS1	REAL300002475896	0	47	0.0	-81.47	383.89	10.39	-71.08
O=C([O-])C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=CC=CS1	REAL300002475907	1	40	0.0	-77.08	347.59	7.12	-69.96
C[NH+](C)CCC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CS2)C=C1	REAL300002475908	0	43	0.0	-84.98	364.84	9.38	-75.60
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300002475913	1	36	0.0	-56.40	312.88	6.17	-50.23
O=C([O-])C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1=CC=CS1	REAL300002475914	1	45	0.0	-67.24	370.56	8.95	-58.29
O=C([O-])C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=CC=CS1	REAL300002475914	1	45	0.0	-67.70	371.27	8.90	-58.80
CC(C(=O)NC(C(=O)[O-])C1=CC=CS1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002475924	0	53	0.0	-54.09	422.16	11.58	-42.51
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300002475960	0	43	0.0	-60.00	363.32	9.47	-50.53
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300002475960	1	43	0.0	-59.24	363.11	9.55	-49.69
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300002475961	0	47	0.0	-64.85	392.35	5.66	-59.19
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300002475961	1	47	0.0	-66.25	392.16	5.74	-60.51
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300002475964	0	41	0.0	-66.32	331.65	5.49	-60.83
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=CS2)C1	REAL300002475964	1	41	0.0	-66.55	321.70	5.35	-61.20
O=C([O-])C(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CS1	REAL300002475971	0	52	0.0	-71.43	418.24	9.25	-62.18
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300002475973	0	45	0.0	-58.06	367.94	8.80	-49.26
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CS1	REAL300002475973	1	45	0.0	-57.55	367.68	8.88	-48.67
O=C([O-])C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC=CS1	REAL300002475983	1	32	0.0	-75.95	294.42	8.62	-67.33
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CS1)C1CCSC1	REAL300002475999	0	38	0.0	-61.73	323.47	7.35	-54.38
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CS1)C1CCSC1	REAL300002475999	1	38	0.0	-58.48	323.25	7.36	-51.12
CC(C)[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300002476012	0	48	0.0	-70.62	373.82	5.88	-64.74
CC(C)N1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=CS2)CC1	REAL300002476012	1	48	0.0	-63.21	376.07	6.00	-57.21
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CC(C)C(C(=O)NCCOCC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300002480695	1	50	0.0	-59.36	373.28	5.85	-53.51
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C[NH+](C)CCOC1=CC=C(C(=O)NCCOCC(=O)[O-])C=C1	REAL300002481361	0	44	0.0	-72.02	358.39	6.00	-66.02
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CC1C[N@H+](CC2=CC=C(C(=O)NCCOCC(=O)[O-])C=C2)CCO1	REAL300002481413	1	48	0.0	-73.90	375.95	6.37	-67.53
CC1C[N@@H+](CC2=CC=C(C(=O)NCCOCC(=O)[O-])C=C2)CCO1	REAL300002481413	1	48	0.0	-74.17	376.01	6.38	-67.79
CC(C)(C)[N@@H+]1CC[C@H](C(=O)NCCOCC(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300002481452	0	56	0.0	-69.94	426.29	9.16	-60.78
CC(C)(C)[N@H+]1CC[C@H](C(=O)NCCOCC(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300002481452	1	56	0.0	-69.94	426.29	9.16	-60.78
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CC(C)C1(C)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002481614	0	52	0.0	-42.59	349.05	8.77	-33.82
CC(C)C1(C)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002481614	1	52	0.0	-42.59	349.05	8.77	-33.82
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)CC1=CSC=C1	REAL300002481711	0	49	0.0	-43.52	366.61	9.80	-33.72
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)CC1=CSC=C1	REAL300002481711	1	49	0.0	-43.52	366.61	9.80	-33.72
CC(C)C1=CC=C2CCC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300002481828	0	53	0.0	-47.54	400.81	10.59	-36.95
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300002481958	0	49	0.0	-48.65	385.16	9.32	-39.33
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CC(CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC(C)(C)C	REAL300002482172	0	54	0.0	-46.80	387.02	8.72	-38.08
CC(CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC(C)(C)C	REAL300002482172	1	54	0.0	-47.43	386.94	8.70	-38.73
CC(C)C(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002482328	0	55	0.0	-47.40	395.06	11.26	-36.14
CC(C)C(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002482328	1	55	0.0	-48.65	402.05	11.33	-37.32
CN(CCOC1=CC=C(C(F)(F)F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002482454	0	50	0.0	-48.71	402.51	10.13	-38.58
CN(CCOC1=CC=C(C(F)(F)F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002482454	1	50	0.0	-49.69	402.39	10.13	-39.56
CCC1(CC)CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002482565	0	55	0.0	-42.73	362.67	9.92	-32.81
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CC(C)C1=CC=CC2=C1CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300002482686	0	53	0.0	-47.40	388.84	11.41	-35.99
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CC(C)C1(C(=O)[O-])CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002484331	0	56	0.0	-74.64	403.24	11.29	-63.35
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300002485069	0	53	0.0	-63.26	380.52	10.34	-52.92
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300002485069	1	53	0.0	-64.78	386.69	10.81	-53.97
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300002485900	1	53	0.0	-72.30	404.55	11.40	-60.90
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300002485900	1	53	0.0	-69.36	393.47	10.74	-58.62
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300002485976	0	50	0.0	-74.61	347.05	8.81	-65.80
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C(=O)[O-])(C(C)C)C3)CN12	REAL300002486006	1	48	0.0	-67.00	358.01	9.02	-57.98
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300002486007	0	56	0.0	-66.96	396.31	11.17	-55.79
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(C(=O)[O-])(C(C)C)C3)CC2)=CS1	REAL300002486080	1	55	0.0	-77.34	407.62	9.21	-68.13
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C)N2CC[NH+](C)CC2)C1	REAL300002486081	1	51	0.0	-75.30	352.68	5.84	-69.46
CC(C)C1(C(=O)[O-])CCN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300002486163	0	59	0.0	-79.40	437.96	11.01	-68.39
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300002486175	0	59	0.0	-76.11	435.62	13.32	-62.79
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300002486175	1	59	0.0	-77.27	435.57	13.31	-63.96
CC(C)C1(C(=O)[O-])CCN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002486177	0	59	0.0	-67.94	407.51	11.37	-56.57
CC(C)C1(C(=O)[O-])CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300002486265	0	55	0.0	-72.99	384.79	9.97	-63.02
CC(C)C1(C(=O)[O-])CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300002486265	1	55	0.0	-73.80	382.30	9.86	-63.94
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300002486287	1	56	0.0	-74.22	399.71	11.13	-63.09
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300002486287	1	56	0.0	-55.87	406.13	11.26	-44.61
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300002486288	1	53	0.0	-73.25	394.23	10.95	-62.30
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300002486288	1	53	0.0	-70.15	383.14	10.29	-59.86
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300002486343	0	49	0.0	-81.20	369.61	8.46	-72.74
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)C1	REAL300002486348	0	59	0.0	-76.58	435.41	10.71	-65.87
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300002486372	0	56	0.0	-62.41	372.46	9.83	-52.58
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300002486372	1	56	0.0	-61.22	378.69	9.96	-51.26
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300002486373	0	57	0.0	-81.36	391.26	8.23	-73.13
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002486405	1	47	0.0	-70.58	354.86	9.16	-61.42
CC(C)C1(C(=O)[O-])CCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300002486406	1	53	0.0	-73.63	384.70	7.99	-65.64
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C=C1)C(C)C	REAL300002486408	0	58	0.0	-83.81	399.22	10.71	-73.10
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C=C1)C(C)C	REAL300002486408	1	58	0.0	-83.57	398.62	10.57	-73.00
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002486432	0	53	0.0	-67.05	389.98	10.73	-56.32
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002486432	1	53	0.0	-65.91	383.32	10.37	-55.54
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300002486433	0	54	0.0	-74.75	382.31	9.75	-65.00
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C1	REAL300002486460	1	58	0.0	-70.98	416.40	9.26	-61.72
CC(C)C1(C(=O)[O-])CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300002486461	0	57	0.0	-67.82	382.60	8.22	-59.60
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C1	REAL300002486466	0	52	0.0	-63.86	378.94	10.24	-53.62
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C1	REAL300002486466	1	52	0.0	-68.08	377.26	10.16	-57.92
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300002486477	0	59	0.0	-59.12	423.48	12.48	-46.64
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300002486477	1	59	0.0	-73.24	431.67	12.32	-60.92
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300002486505	0	48	0.0	-78.24	351.90	7.83	-70.41
CCC[NH+](CCC)CCCC(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002486516	0	57	0.0	-69.90	404.52	10.32	-59.58
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300002486517	1	57	0.0	-67.32	404.33	7.62	-59.70
CC[N@H+](C)C(C(=O)N1CCC(C(=O)[O-])(C(C)C)C1)C1=CC=CC=C1	REAL300002486518	0	52	0.0	-60.54	374.73	10.22	-50.32
CC[N@@H+](C)C(C(=O)N1CCC(C(=O)[O-])(C(C)C)C1)C1=CC=CC=C1	REAL300002486518	1	52	0.0	-65.04	373.14	10.08	-54.96
CC[NH+](CC)C(C(=O)N1CCC(C(=O)[O-])(C(C)C)C1)C1=CC=CC=C1	REAL300002486523	0	55	0.0	-67.58	381.02	10.53	-57.05
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002486529	1	47	0.0	-63.39	347.65	8.95	-54.44
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C1	REAL300002486531	1	49	0.0	-70.07	372.11	9.96	-60.11
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300002486545	0	53	0.0	-63.63	379.75	10.39	-53.24
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300002486552	0	56	0.0	-73.73	400.46	11.56	-62.17
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C(=O)[O-])(C(C)C)C3)CC2)CC1	REAL300002486559	0	64	0.0	-59.59	438.13	8.95	-50.64
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C1	REAL300002486565	1	60	0.0	-87.40	433.24	10.20	-77.20
CC(C)C1(C(=O)[O-])CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002486576	1	57	0.0	-79.70	418.39	10.88	-68.82
CC(C)C1(C(=O)[O-])CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002486576	1	57	0.0	-73.19	412.79	10.46	-62.73
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300002486591	0	56	0.0	-62.89	387.49	10.84	-52.05
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300002486591	1	56	0.0	-60.73	388.72	10.82	-49.91
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C=NN1C1=CC=[NH+]C=C1	REAL300002486593	1	47	0.0	-77.89	352.02	7.72	-70.17
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300002486601	0	56	0.0	-84.44	399.92	11.18	-73.26
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300002486613	1	49	0.0	-75.22	365.70	8.59	-66.63
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300002486614	0	52	0.0	-86.28	380.85	10.17	-76.11
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002486625	1	45	0.0	-61.30	333.20	6.88	-54.42
CC(C)C1(C(=O)[O-])CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002486626	1	54	0.0	-77.59	395.14	10.19	-67.40
CC(C)C1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002486626	1	54	0.0	-69.90	386.44	9.92	-59.98
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)C1	REAL300002486640	0	62	0.0	-71.03	433.54	12.36	-58.67
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C)[NH+]2CCSCC2)C1	REAL300002486679	1	47	0.0	-61.38	343.70	8.28	-53.10
CC(C)C1(C(=O)[O-])CCN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C1	REAL300002486685	0	52	0.0	-72.16	383.03	10.66	-61.50
CC(C)C1(C(=O)[O-])CCN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C1	REAL300002486685	1	52	0.0	-68.64	385.28	10.79	-57.85
COCCOCC[N@H+](C)CCC(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002486686	0	56	0.0	-71.69	414.45	7.01	-64.68
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002486686	1	56	0.0	-74.11	412.07	6.89	-67.22
CC(C)C1(C(=O)[O-])CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300002486698	0	61	0.0	-79.16	438.20	10.41	-68.75
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300002486699	1	55	0.0	-67.18	396.13	9.59	-57.59
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300002486699	1	55	0.0	-64.87	383.39	9.06	-55.81
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300002486700	1	55	0.0	-73.41	388.77	9.33	-64.08
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300002486700	1	55	0.0	-73.45	395.56	9.56	-63.89
CCCCCC[N@H+](C)CC(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002486702	0	54	0.0	-69.92	387.65	9.98	-59.94
CCCCCC[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002486702	1	54	0.0	-67.04	389.87	10.10	-56.94
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300002486714	1	41	0.0	-77.69	311.04	9.71	-67.98
CC(C)C1(C(=O)[O-])CCN(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300002486732	0	47	0.0	-71.66	341.34	8.45	-63.21
CC(C)C1(C(=O)[O-])CCN(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300002486732	1	47	0.0	-73.11	344.65	8.45	-64.66
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])(C(C)C)C2)CC1	REAL300002486745	0	57	0.0	-74.10	401.50	7.55	-66.55
CC(C)N1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])(C(C)C)C2)CC1	REAL300002486745	1	57	0.0	-73.19	395.76	7.25	-65.94
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C(=O)[O-])(C(C)C)C2)CC1	REAL300002486746	0	60	0.0	-74.32	423.23	8.36	-65.96
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C(=O)[O-])(C(C)C)C2)CC1	REAL300002486746	1	60	0.0	-74.69	417.56	8.07	-66.62
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300002486747	0	50	0.0	-55.24	343.56	8.71	-46.53
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300002486747	1	50	0.0	-58.64	337.74	8.87	-49.77
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1	REAL300002486749	0	49	0.0	-79.62	364.56	7.76	-71.86
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(C(=O)[O-])(C(C)C)C3)CC2)=C1	REAL300002486756	0	61	0.0	-77.47	438.10	10.28	-67.19
CC(C)C1(C(=O)[O-])CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300002486757	0	58	0.0	-77.41	416.69	9.60	-67.81
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300002486758	0	55	0.0	-74.12	389.45	9.54	-64.58
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300002486758	1	55	0.0	-79.28	396.88	9.46	-69.82
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300002486763	0	53	0.0	-54.38	382.40	10.65	-43.73
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300002486763	1	53	0.0	-69.00	381.56	11.20	-57.80
CCC(CC)C(C(=O)N1CCC(C(=O)[O-])(C(C)C)C1)[NH+]1CCOCC1	REAL300002486782	1	59	0.0	-55.38	392.68	8.28	-47.10
CC(C)C1(C(=O)[O-])CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002486790	0	56	0.0	-78.47	403.32	11.32	-67.15
CC(C)C1(C(=O)[O-])CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002486790	1	56	0.0	-77.96	407.26	11.42	-66.54
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1	REAL300002486805	0	49	0.0	-81.82	365.73	7.95	-73.87
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=NN2CC[NH+](C)C)C1	REAL300002486806	0	49	0.0	-61.90	357.96	7.43	-54.47
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002486812	1	50	0.0	-66.31	369.85	9.47	-56.84
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C1	REAL300002486816	1	50	0.0	-73.59	360.74	6.97	-66.62
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C1	REAL300002486816	1	50	0.0	-80.18	367.00	7.55	-72.63
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300002486827	0	56	0.0	-73.12	412.45	11.45	-61.67
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300002486827	1	56	0.0	-55.47	400.54	11.19	-44.28
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300002486828	1	52	0.0	-62.59	382.16	9.13	-53.46
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300002486828	1	52	0.0	-68.71	379.07	8.91	-59.80
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C)C[NH+]2CCOCC2)C1	REAL300002486832	0	50	0.0	-75.46	355.86	6.85	-68.61
CC(C)C1(C(=O)[O-])CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300002486833	0	57	0.0	-76.95	414.45	9.03	-67.92
CC(C)C1(C(=O)[O-])CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300002486906	0	50	0.0	-68.28	330.64	7.84	-60.44
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300002486910	0	50	0.0	-58.22	353.03	9.15	-49.07
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300002486910	1	50	0.0	-55.92	346.28	8.86	-47.06
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1	REAL300002486918	0	53	0.0	-69.19	358.27	6.88	-62.31
CC(C)[N@@H+]1CCC(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C(C2=CN(C)N=C2)C1	REAL300002486923	0	62	0.0	-79.43	432.76	9.82	-69.61
CC(C)[N@H+]1CCC(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C(C2=CN(C)N=C2)C1	REAL300002486923	1	62	0.0	-72.75	429.80	9.80	-62.95
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C1	REAL300002486924	0	56	0.0	-82.64	390.80	8.20	-74.44
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C1	REAL300002486924	1	56	0.0	-69.93	391.91	8.25	-61.68
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C1	REAL300002486929	0	58	0.0	-76.10	414.78	8.70	-67.40
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C1	REAL300002486930	0	58	0.0	-79.44	415.30	8.72	-70.72
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C1	REAL300002486930	1	58	0.0	-85.37	416.43	8.62	-76.75
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C1	REAL300002487052	0	49	0.0	-75.75	358.90	9.71	-66.04
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002487053	0	56	0.0	-61.23	399.09	11.50	-49.73
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002487053	1	56	0.0	-74.34	394.94	11.28	-63.06
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)CC1	REAL300002487118	0	48	0.0	-61.54	354.13	8.99	-52.55
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002487120	0	52	0.0	-60.84	365.93	9.27	-51.57
CCC[N@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002487120	1	52	0.0	-60.37	362.46	9.07	-51.30
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1	REAL300002487122	0	49	0.0	-57.33	357.23	9.43	-47.90
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C(C)C)C1)[NH+]1CCCCC1	REAL300002487125	0	55	0.0	-67.62	370.19	9.84	-57.78
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300002487126	1	49	0.0	-59.32	356.17	9.63	-49.69
CC(C)C1(C(=O)[O-])CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002487130	0	54	0.0	-53.02	392.61	7.80	-45.22
CC(C)C1(C(=O)[O-])CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002487130	1	54	0.0	-75.63	389.46	8.14	-67.49
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002487136	1	50	0.0	-66.21	371.79	9.54	-56.67
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C1	REAL300002487137	0	52	0.0	-60.60	380.34	10.11	-50.49
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300002487142	0	53	0.0	-59.12	363.57	9.50	-49.62
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300002487142	1	53	0.0	-62.30	367.83	9.64	-52.66
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300002487168	1	54	0.0	-60.82	394.16	10.99	-49.83
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C(C)C)C1)[NH+]1CC(C)OC(C)C1	REAL300002487169	1	59	0.0	-62.22	395.99	8.65	-53.57
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C)[NH+]2CCCCCC2)C1	REAL300002487170	0	52	0.0	-62.10	354.36	8.71	-53.39
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C1	REAL300002487204	1	54	0.0	-81.14	393.77	9.75	-71.39
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C1	REAL300002487204	1	54	0.0	-77.59	395.32	9.81	-67.78
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)O1	REAL300002487262	0	52	0.0	-78.53	381.38	9.49	-69.04
CC(C)C1(C(=O)[O-])CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300002487263	0	52	0.0	-74.85	375.22	9.57	-65.28
CC1=CC=C(N2CCC(C(=O)N3CCC(C(=O)[O-])(C(C)C)C3)CC2)[NH+]=C1	REAL300002487265	1	55	0.0	-74.58	393.56	9.03	-65.55
CC(C)C1(C(=O)[O-])CCN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300002487266	1	49	0.0	-72.93	360.55	9.82	-63.11
CC(C)C1(C(=O)[O-])CCN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300002487266	1	49	0.0	-68.99	362.80	9.94	-59.05
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(C)C)C3)C=C2)CC1	REAL300002487270	0	61	0.0	-65.66	425.01	9.63	-56.03
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300002487285	1	44	0.0	-76.91	337.15	7.32	-69.59
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300002487313	1	45	0.0	-76.46	339.15	7.40	-69.06
CC(C)C1(C(=O)[O-])CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300002487318	0	56	0.0	-83.81	409.94	11.31	-72.50
CC(C)C1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300002487318	1	56	0.0	-71.59	403.96	11.33	-60.26
CC(C)C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300002487342	0	57	0.0	-82.32	425.77	10.73	-71.59
CC(C)C1(C(=O)[O-])CCN(C(=O)COC2CC[NH+](C)CC2)C1	REAL300002487359	0	50	0.0	-76.90	366.10	8.49	-68.41
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300002487365	0	53	0.0	-80.71	386.62	9.95	-70.76
CC(C)C1(C(=O)[O-])CCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C1	REAL300002487405	0	55	0.0	-77.93	395.02	9.25	-68.68
CC(C)C1(C(=O)[O-])CCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C1	REAL300002487405	1	55	0.0	-72.77	393.28	9.28	-63.49
CCC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C1	REAL300002487546	0	52	0.0	-69.53	366.14	9.09	-60.44
CCC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C1	REAL300002487546	1	52	0.0	-65.19	371.82	9.29	-55.90
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002487579	0	52	0.0	-61.74	354.06	9.35	-52.39
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C(C)C)C1	REAL300002487579	1	52	0.0	-57.97	364.24	9.06	-48.91
CC(C)C1(C(=O)[O-])CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300002487582	0	50	0.0	-69.66	357.31	5.39	-64.27
CC(C)C1(C(=O)[O-])CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300002487673	0	57	0.0	-74.50	404.32	11.40	-63.10
CC(C)C1(C(=O)[O-])CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300002487673	1	57	0.0	-76.67	409.19	11.51	-65.16
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300002487709	1	56	0.0	-63.02	405.90	11.36	-51.66
CC(C)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300002487709	1	56	0.0	-53.46	406.14	11.26	-42.20
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C1	REAL300002487793	0	52	0.0	-64.64	355.26	9.05	-55.59
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C1	REAL300002487793	1	52	0.0	-64.26	360.51	8.81	-55.45
CC(C)C1(C(=O)[O-])CCN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C1	REAL300002487794	0	46	0.0	-70.91	336.83	7.56	-63.35
CC(C)C1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C1	REAL300002487794	1	46	0.0	-70.24	343.10	7.87	-62.37
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C(=O)[O-])(C(C)C)C2)N1	REAL300002487818	1	47	0.0	-66.98	354.13	7.54	-59.44
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C1	REAL300002488292	0	52	0.0	-78.55	381.39	10.55	-68.00
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300002488298	0	53	0.0	-64.02	384.73	9.02	-55.00
CC(C)C1(C(=O)[O-])CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002488387	0	59	0.0	-75.57	423.33	12.15	-63.42
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C1	REAL300002488389	1	57	0.0	-74.22	406.99	9.50	-64.72
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C1	REAL300002488389	1	57	0.0	-86.77	405.67	9.49	-77.28
CC(C)C1(C(=O)[O-])CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300002488429	0	52	0.0	-57.31	351.20	8.55	-48.76
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C1	REAL300002488493	0	55	0.0	-69.65	385.07	9.87	-59.78
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(C)C)C2)C1	REAL300002488493	1	55	0.0	-69.65	385.07	9.87	-59.78
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN(C)C)O2)C1	REAL300002488499	0	46	0.0	-81.46	345.03	8.08	-73.38
CC(C)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300002488499	1	46	0.0	-81.46	345.03	8.08	-73.38
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C1	REAL300002488505	0	55	0.0	-65.75	357.35	8.38	-57.37
CC(C)C1(C(=O)[O-])CCN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C1	REAL300002488505	1	55	0.0	-65.75	357.35	8.38	-57.37
CC(C)C1(C(=O)[O-])CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300002488508	0	48	0.0	-61.23	336.86	9.53	-51.70
O=C([O-])C(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(F)C=C1	REAL300002489643	0	53	0.0	-61.92	420.18	11.85	-50.07
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300002490296	0	50	0.0	-49.49	396.09	10.43	-39.06
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300002490296	1	50	0.0	-50.91	402.17	10.98	-39.93
O=C([O-])C(CNC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=C(F)C=C1	REAL300002491203	0	47	0.0	-56.70	367.74	9.19	-47.51
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CC1)C1=CC=C(F)C=C1	REAL300002491230	0	44	0.0	-45.36	349.86	8.68	-36.68
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CC1)C1=CC=C(F)C=C1	REAL300002491230	1	44	0.0	-47.93	350.81	8.66	-39.27
CC1=[NH+]C=C2CCC(C(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)CN12	REAL300002491236	1	45	0.0	-52.83	367.44	9.38	-43.45
O=C([O-])C(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300002491237	0	53	0.0	-50.98	422.84	11.78	-39.20
C[N@@H+]1CCCCC1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002491319	0	43	0.0	-48.62	330.06	8.11	-40.51
C[N@H+]1CCCCC1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002491319	1	43	0.0	-47.26	340.22	7.92	-39.34
CC(C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300002491320	1	48	0.0	-60.57	370.67	6.52	-54.05
C[N@@H+]1CCCC[C@H]1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002491364	0	43	0.0	-46.89	341.06	8.20	-38.69
C[N@H+]1CCCC[C@H]1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002491364	1	43	0.0	-53.53	330.94	7.76	-45.77
CC1(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002491422	0	56	0.0	-59.93	432.84	12.26	-47.67
C[NH+]1CCC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300002491455	0	43	0.0	-62.76	342.90	7.99	-54.77
O=C([O-])C(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=C(F)C=C1	REAL300002491481	0	38	0.0	-61.08	328.46	9.81	-51.27
C[NH+](C)CC1(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CCCCC1	REAL300002491514	0	52	0.0	-61.84	383.77	10.26	-51.58
C[N@H+](CCC(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)C1CCCCC1	REAL300002491519	0	52	0.0	-56.30	397.51	10.19	-46.11
C[N@@H+](CCC(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)C1CCCCC1	REAL300002491519	1	52	0.0	-57.01	396.70	9.92	-47.09
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C1=CC=C(F)C=C1	REAL300002491536	1	50	0.0	-51.49	401.65	10.85	-40.64
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C1=CC=C(F)C=C1	REAL300002491536	1	50	0.0	-48.40	402.50	10.51	-37.89
C[NH+]1CCC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300002491590	0	43	0.0	-62.76	342.90	7.99	-54.77
O=C([O-])C(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=C(F)C=C1	REAL300002491595	0	46	0.0	-67.15	387.52	8.95	-58.20
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)C1=CC=C(F)C=C1	REAL300002491618	0	53	0.0	-45.36	395.36	10.49	-34.87
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C[N@@H+]1CC(O)CC1(C)C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002492227	0	44	0.0	-48.10	346.67	4.42	-43.68
C[N@H+]1CC(O)CC1(C)C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002492227	1	44	0.0	-56.94	345.06	5.13	-51.81
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CC(C)[NH+]1CCC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300002492254	0	49	0.0	-57.01	373.54	8.95	-48.06
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CC1CCC(C)[NH+]1CC(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002492394	0	46	0.0	-47.76	356.23	8.63	-39.13
C[NH+](C)CC1=CC=CC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300002492395	0	46	0.0	-67.06	375.56	10.17	-56.89
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C[NH+](C)C1(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CCC1	REAL300002492436	0	43	0.0	-46.55	332.48	7.49	-39.06
C#CC[NH+]1CCC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300002492469	0	45	0.0	-61.97	368.87	9.48	-52.49
CCC[N@@H+]1CCCCC1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002492471	0	49	0.0	-51.25	370.94	9.44	-41.81
CCC[N@H+]1CCCCC1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002492471	1	49	0.0	-49.66	379.58	9.31	-40.35
C[NH+](C)CC1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002492472	0	46	0.0	-48.96	369.12	10.04	-38.92
CC[NH+]1CCN(CCC(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300002492474	0	51	0.0	-63.00	397.20	7.23	-55.77
CCN1CC[NH+](CCC(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300002492474	1	51	0.0	-55.17	396.02	7.34	-47.83
CC(C)C(C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)[NH+]1CCCCC1	REAL300002492476	0	52	0.0	-46.04	390.49	10.24	-35.80
C[NH+](C)C(C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300002492477	1	46	0.0	-46.83	373.79	10.11	-36.72
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O=C([O-])C(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(F)C=C1	REAL300002492481	1	51	0.0	-55.40	412.02	7.80	-47.60
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002492487	1	47	0.0	-51.85	383.71	9.49	-42.36
C[NH+](C)CC1=C(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)OC2=CC=CC=C21	REAL300002492488	0	49	0.0	-54.83	402.75	10.52	-44.31
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CCCC1)C1=CC=C(F)C=C1	REAL300002492493	0	50	0.0	-48.90	386.31	10.24	-38.66
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CCCC1)C1=CC=C(F)C=C1	REAL300002492493	1	50	0.0	-49.06	375.84	9.75	-39.31
CC[N@H+](CC(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)C1CC1	REAL300002492495	0	43	0.0	-49.33	344.65	8.31	-41.02
CC[N@@H+](CC(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)C1CC1	REAL300002492495	1	43	0.0	-49.14	345.46	8.59	-40.55
CC(C)C(C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)[NH+]1CC(C)OC(C)C1	REAL300002492524	1	56	0.0	-47.99	420.82	9.52	-38.47
CC(C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)[NH+]1CCCCCC1	REAL300002492525	0	49	0.0	-50.20	363.59	9.29	-40.91
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)=CC=C1N2	REAL300002492567	1	51	0.0	-72.69	410.35	10.61	-62.08
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)=CC=C1N2	REAL300002492567	1	51	0.0	-72.34	410.55	10.58	-61.76
CC[NH+](CC)CC1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)O1	REAL300002492618	0	49	0.0	-60.13	397.61	9.87	-50.26
O=C([O-])C(CNC(=O)CCCC[NH+]1CCCC1)C1=CC=C(F)C=C1	REAL300002492619	0	49	0.0	-61.61	389.62	9.65	-51.96
CC1=CC=C(N2CCC(C(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)CC2)[NH+]=C1	REAL300002492621	1	52	0.0	-58.99	412.34	9.40	-49.59
C[N@H+](CC(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)CC1=CC=CC=C1	REAL300002492622	1	46	0.0	-54.00	375.75	10.20	-43.80
C[N@@H+](CC(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)CC1=CC=CC=C1	REAL300002492622	1	46	0.0	-54.16	374.96	9.92	-44.24
CC(C)[C@@H](C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1)[NH+](C)C	REAL300002492633	0	45	0.0	-52.77	342.62	7.83	-44.94
O=C([O-])C(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=CC=C(F)C=C1	REAL300002492651	1	41	0.0	-69.61	357.59	7.77	-61.84
C[NH+](C)CC1=CC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=NO1	REAL300002492681	1	42	0.0	-71.91	356.52	7.71	-64.20
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002492685	0	53	0.0	-59.69	420.61	11.59	-48.10
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002492685	1	53	0.0	-59.81	421.08	11.65	-48.16
CC(C)[N@@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002492701	0	46	0.0	-46.71	351.09	8.61	-38.10
CC(C)[N@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002492701	1	46	0.0	-46.64	355.09	8.62	-38.02
C[NH+]1CCC(OCC(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300002492727	0	47	0.0	-67.03	378.25	8.42	-58.61
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=CC=C(F)C=C1	REAL300002492732	0	50	0.0	-63.39	404.44	10.01	-53.38
CCC[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300002492926	0	49	0.0	-54.53	381.14	9.71	-44.82
CCC[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300002492926	1	49	0.0	-55.77	382.84	9.63	-46.14
CC(C)C[N@@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002492958	0	49	0.0	-49.63	383.21	9.50	-40.13
CC(C)C[N@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1=CC=C(F)C=C1	REAL300002492958	1	49	0.0	-50.10	383.81	9.80	-40.30
O=C([O-])C(CNC(=O)C[NH+]1CCC(CO)CC1)C1=CC=C(F)C=C1	REAL300002492959	0	47	0.0	-51.67	372.90	5.79	-45.88
O=C([O-])C(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1=CC=C(F)C=C1	REAL300002493066	0	54	0.0	-51.87	427.20	11.82	-40.05
O=C([O-])C(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1=CC=C(F)C=C1	REAL300002493066	1	54	0.0	-52.59	428.98	12.06	-40.53
CC(C)[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300002493197	0	49	0.0	-47.65	370.06	9.67	-37.98
CC(C)[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300002493197	1	49	0.0	-55.42	377.18	9.12	-46.30
C[N@@H+]1CC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(C(F)(F)F)C1	REAL300002493198	0	43	0.0	-56.17	362.24	8.08	-48.09
C[N@H+]1CC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C(C(F)(F)F)C1	REAL300002493198	1	43	0.0	-50.45	354.83	8.20	-42.25
CC1=C(C)[NH+]=C(CCC(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)N1	REAL300002493224	1	44	0.0	-52.25	369.33	7.90	-44.35
C[NH+](C)CCC1=CC=CC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)=C1	REAL300002493721	0	49	0.0	-69.49	398.05	11.00	-58.49
C[NH+](C)CCOC1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C=C1	REAL300002493728	0	50	0.0	-67.25	404.25	9.77	-57.48
O=C([O-])C(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(F)C=C1	REAL300002493825	0	56	0.0	-61.69	438.00	12.27	-49.42
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300002493871	0	43	0.0	-55.77	347.07	8.42	-47.35
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)CC1	REAL300002493875	0	49	0.0	-51.76	370.58	9.02	-42.74
CC1=[NH+]C=C2C=CC(C(=O)NCC(C(=O)[O-])C3=CC=C(F)C=C3)=CN12	REAL300002493879	0	41	0.0	-56.59	349.86	9.59	-47.00
CC(C)C[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300002493945	0	52	0.0	-49.00	392.33	10.61	-38.39
CC(C)C[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300002493945	1	52	0.0	-50.40	392.29	10.60	-39.80
CC[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300002493946	0	46	0.0	-56.94	361.33	8.89	-48.05
CC[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300002493946	1	46	0.0	-49.84	355.08	9.09	-40.75
C[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300002493950	0	43	0.0	-50.82	336.62	8.15	-42.67
C[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300002493950	1	43	0.0	-50.85	336.61	8.15	-42.70
C[NH+](C)CC1=CC=C(C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)O1	REAL300002493952	1	43	0.0	-63.31	361.99	8.49	-54.82
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300002493958	0	52	0.0	-65.83	380.64	9.00	-56.83
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(C(=O)[O-])C2=CC=C(F)C=C2)C1	REAL300002493958	1	52	0.0	-64.87	388.30	9.45	-55.42
O=C([O-])C(CNC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=C(F)C=C1	REAL300002493961	1	45	0.0	-49.82	363.43	9.30	-40.52
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3(CCOCC3)C2)C1	REAL300002494057	0	51	0.0	-48.84	357.56	8.09	-40.75
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3(CCOCC3)C2)C1	REAL300002494057	1	51	0.0	-47.96	356.37	8.06	-39.90
COCC1(C(=O)[O-])CCCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002495317	0	57	0.0	-88.23	420.47	10.63	-77.60
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300002496007	0	54	0.0	-71.01	395.09	10.22	-60.79
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300002496007	1	54	0.0	-73.35	393.98	9.54	-63.81
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300002496845	1	54	0.0	-80.20	418.43	10.55	-69.65
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300002496845	1	54	0.0	-78.11	418.34	11.13	-66.98
COCC1(C(=O)[O-])CCCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300002496929	0	51	0.0	-59.62	368.61	8.31	-51.31
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300002496958	0	48	0.0	-71.99	353.81	7.83	-64.16
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300002496958	1	48	0.0	-75.74	338.96	7.68	-68.06
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC3=C[NH+]=C(C)N3C2)C1	REAL300002496964	1	49	0.0	-55.25	366.25	8.70	-46.55
COCC1(C(=O)[O-])CCCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300002496965	0	57	0.0	-75.21	408.37	10.51	-64.70
COCC1(C(=O)[O-])CCCN(C(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)C1	REAL300002497043	1	56	0.0	-88.99	428.21	8.40	-80.59
COCC1(C(=O)[O-])CCCN(C(=O)C(C)N2CC[NH+](C)CC2)C1	REAL300002497044	1	52	0.0	-63.96	366.00	5.66	-58.30
COCC1(C(=O)[O-])CCCN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300002497130	0	60	0.0	-84.28	453.07	10.97	-73.31
COCC1(C(=O)[O-])CCCN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002497142	0	60	0.0	-76.44	419.54	11.06	-65.38
COCC1(C(=O)[O-])CCCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300002497200	0	42	0.0	-79.99	328.53	8.69	-71.30
COCC1(C(=O)[O-])CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1	REAL300002497233	0	56	0.0	-78.79	372.28	9.64	-69.15
COCC1(C(=O)[O-])CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300002497238	0	56	0.0	-82.31	398.26	9.20	-73.11
COCC1(C(=O)[O-])CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300002497238	1	56	0.0	-82.71	398.75	9.21	-73.50
COCC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300002497257	1	57	0.0	-78.57	412.76	10.25	-68.32
COCC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300002497257	1	57	0.0	-76.43	422.41	11.33	-65.10
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300002497258	1	54	0.0	-81.17	408.11	10.10	-71.07
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300002497258	1	54	0.0	-79.04	408.01	10.68	-68.36
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300002497313	0	50	0.0	-84.65	389.65	7.87	-76.78
COCC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300002497337	0	57	0.0	-70.73	395.92	9.29	-61.44
COCC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300002497337	1	57	0.0	-70.10	394.62	9.23	-60.87
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300002497338	0	58	0.0	-87.58	411.56	7.71	-79.87
COCC1(C(=O)[O-])CCCN(C(=O)CCCN2C=C[NH+]=C2C)C1	REAL300002497368	1	48	0.0	-77.35	369.69	9.10	-68.25
COCC1(C(=O)[O-])CCCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300002497369	1	54	0.0	-85.50	398.61	7.19	-78.31
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1)C(C)C	REAL300002497371	0	59	0.0	-88.91	418.25	9.97	-78.94
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1)C(C)C	REAL300002497371	1	59	0.0	-87.60	418.11	9.95	-77.65
COCC1(C(=O)[O-])CCCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002497406	0	54	0.0	-80.32	398.30	10.39	-69.93
COCC1(C(=O)[O-])CCCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002497406	1	54	0.0	-79.80	400.21	10.46	-69.34
COCC1(C(=O)[O-])CCCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300002497407	0	55	0.0	-90.56	403.54	9.34	-81.22
COCC1(C(=O)[O-])CCCN(C(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C1	REAL300002497435	1	59	0.0	-75.38	423.20	8.40	-66.98
COCC1(C(=O)[O-])CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300002497436	0	58	0.0	-80.69	395.48	8.06	-72.63
CCC(C(=O)N1CCCC(COC)(C(=O)[O-])C1)[NH+](CC)CC	REAL300002497440	0	52	0.0	-69.51	362.60	7.75	-61.76
COCC1(C(=O)[O-])CCCN(C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C1	REAL300002497442	0	53	0.0	-77.53	392.22	9.47	-68.06
COCC1(C(=O)[O-])CCCN(C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C1	REAL300002497442	1	53	0.0	-77.87	392.21	9.45	-68.42
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300002497452	0	60	0.0	-76.26	433.35	12.36	-63.90
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300002497452	1	60	0.0	-72.55	432.22	12.28	-60.27
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300002497476	0	49	0.0	-86.78	372.94	7.12	-79.66
CCC[NH+](CCC)CCCC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300002497485	0	58	0.0	-81.95	418.41	9.52	-72.43
COCC1(C(=O)[O-])CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300002497486	1	58	0.0	-72.02	422.66	7.88	-64.14
CC[N@H+](C)C(C(=O)N1CCCC(COC)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002497487	0	53	0.0	-73.90	378.96	9.20	-64.70
CC[N@@H+](C)C(C(=O)N1CCCC(COC)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002497487	1	53	0.0	-68.76	386.92	10.09	-58.67
COCC1(C(=O)[O-])CCCN(C(=O)C2C[N@H+](C)CCO2)C1	REAL300002497489	1	45	0.0	-59.99	333.62	5.81	-54.18
COCC1(C(=O)[O-])CCCN(C(=O)C2C[N@@H+](C)CCO2)C1	REAL300002497489	1	45	0.0	-90.43	330.89	6.50	-83.93
CC[NH+](CC)C(C(=O)N1CCCC(COC)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002497492	0	56	0.0	-70.93	393.82	10.38	-60.55
COCC1(C(=O)[O-])CCCN(C(=O)CN2C=C[NH+]=C2C(C)C)C1	REAL300002497500	1	48	0.0	-71.61	364.68	8.92	-62.69
COCC1(C(=O)[O-])CCCN(C(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C1	REAL300002497504	1	50	0.0	-74.79	383.61	9.86	-64.93
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300002497517	0	54	0.0	-90.54	403.34	9.89	-80.65
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300002497524	0	57	0.0	-83.33	418.68	10.55	-72.78
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(COC)(C(=O)[O-])C3)CC2)CC1	REAL300002497530	0	65	0.0	-85.32	454.55	8.40	-76.92
COCC1(C(=O)[O-])CCCN(C(=O)CCCC[NH+](C)C)C1	REAL300002497542	0	49	0.0	-83.75	365.70	7.73	-76.02
COCC1(C(=O)[O-])CCCN(C(=O)C(C(C)C)[NH+](C)C)C1	REAL300002497550	0	49	0.0	-77.01	334.47	6.85	-70.16
COCC1(C(=O)[O-])CCCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002497552	1	58	0.0	-90.36	434.64	10.16	-80.20
COCC1(C(=O)[O-])CCCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002497552	1	58	0.0	-92.05	425.65	10.76	-81.29
COCC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300002497564	0	57	0.0	-72.10	415.16	11.37	-60.73
COCC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300002497564	1	57	0.0	-73.58	416.91	10.67	-62.91
COCC1(C(=O)[O-])CCCN(C(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C1	REAL300002497566	1	48	0.0	-86.14	375.11	7.11	-79.03
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300002497574	0	57	0.0	-90.80	420.08	10.60	-80.20
COCC1(C(=O)[O-])CCCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300002497587	1	50	0.0	-85.17	381.60	8.02	-77.15
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300002497588	0	53	0.0	-91.76	400.45	9.57	-82.19
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300002497600	1	46	0.0	-71.20	353.15	6.16	-65.04
COCC1(C(=O)[O-])CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002497601	1	55	0.0	-89.97	409.89	9.36	-80.61
COCC1(C(=O)[O-])CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002497601	1	55	0.0	-81.17	397.34	9.59	-71.58
COCC1(C(=O)[O-])CCCN(C(=O)C(C)[NH+]2CCSCC2)C1	REAL300002497658	1	48	0.0	-76.38	357.25	7.47	-68.91
COCC1(C(=O)[O-])CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1	REAL300002497664	0	52	0.0	-76.59	368.99	8.73	-67.86
COCC1(C(=O)[O-])CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1	REAL300002497664	1	52	0.0	-76.67	366.55	8.54	-68.13
COCC1(C(=O)[O-])CCCN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C1	REAL300002497666	0	53	0.0	-80.93	398.99	9.96	-70.97
COCC1(C(=O)[O-])CCCN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C1	REAL300002497666	1	53	0.0	-81.06	398.96	9.98	-71.08
COCCOCC[N@H+](C)CCC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300002497667	0	57	0.0	-81.47	428.06	6.20	-75.27
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300002497667	1	57	0.0	-82.44	426.91	6.82	-75.62
COCC1(C(=O)[O-])CCCN(C(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300002497671	0	51	0.0	-79.37	356.45	6.44	-72.93
COCC1(C(=O)[O-])CCCN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300002497671	1	51	0.0	-78.23	365.51	6.69	-71.54
COCC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300002497688	1	56	0.0	-78.66	401.36	8.45	-70.21
COCC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300002497688	1	56	0.0	-77.71	399.67	8.99	-68.72
COCC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300002497689	1	56	0.0	-74.48	411.96	8.85	-65.63
COCC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300002497689	1	56	0.0	-77.91	411.12	8.84	-69.07
CCCCCC[N@H+](C)CC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300002497691	0	55	0.0	-79.03	403.55	9.30	-69.73
CCCCCC[N@@H+](C)CC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300002497691	1	55	0.0	-78.42	402.95	9.94	-68.48
COCC1(C(=O)[O-])CCCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300002497701	0	48	0.0	-71.26	336.38	7.50	-63.76
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300002497709	1	42	0.0	-86.07	328.73	8.71	-77.36
COCC1(C(=O)[O-])CCCN(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300002497727	0	48	0.0	-82.56	358.05	8.37	-74.19
COCC1(C(=O)[O-])CCCN(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300002497727	1	48	0.0	-82.44	359.72	7.83	-74.61
COCC1(C(=O)[O-])CCCN(C(=O)CCN2CC[NH+](C(C)C)CC2)C1	REAL300002497742	0	58	0.0	-80.03	410.40	7.17	-72.86
COCC1(C(=O)[O-])CCCN(C(=O)CC[NH+]2CCN(C(C)C)CC2)C1	REAL300002497742	1	58	0.0	-81.14	410.56	7.17	-73.97
COCC1(C(=O)[O-])CCCN(C(=O)CCCN2CC[NH+](C(C)C)CC2)C1	REAL300002497743	0	61	0.0	-78.33	436.70	7.56	-70.77
COCC1(C(=O)[O-])CCCN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)C1	REAL300002497743	1	61	0.0	-82.73	433.72	7.40	-75.33
COCC1(C(=O)[O-])CCCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300002497744	0	51	0.0	-74.22	354.36	8.54	-65.68
COCC1(C(=O)[O-])CCCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300002497744	1	51	0.0	-75.29	356.18	8.00	-67.29
COCC1(C(=O)[O-])CCCN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1	REAL300002497746	0	50	0.0	-85.74	380.51	7.35	-78.39
COCC1(C(=O)[O-])CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300002497755	0	59	0.0	-85.54	431.51	9.53	-76.01
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300002497758	0	56	0.0	-89.29	414.61	9.49	-79.80
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300002497758	1	56	0.0	-85.50	405.43	8.75	-76.75
COCC1(C(=O)[O-])CCCN(C(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300002497763	1	54	0.0	-76.82	396.68	9.92	-66.90
COCC1(C(=O)[O-])CCCN(C(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300002497763	1	54	0.0	-75.14	395.40	10.46	-64.68
CCC(CC)C(C(=O)N1CCCC(COC)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300002497780	1	60	0.0	-72.14	398.60	7.29	-64.85
CCCC(C(=O)N1CCCC(COC)(C(=O)[O-])C1)[NH+](C)C	REAL300002497786	0	49	0.0	-76.13	351.77	7.36	-68.77
COCC1(C(=O)[O-])CCCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002497788	0	57	0.0	-86.00	424.71	11.41	-74.59
COCC1(C(=O)[O-])CCCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002497788	1	57	0.0	-87.16	425.85	10.88	-76.28
COCC1(C(=O)[O-])CCCN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1	REAL300002497803	0	50	0.0	-92.88	381.41	7.37	-85.51
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=NN2CC[NH+](C)C)C1	REAL300002497804	0	50	0.0	-68.43	377.37	6.72	-61.71
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300002497810	1	51	0.0	-74.36	386.33	8.85	-65.51
CC[C@@H]1[C@@H](C(=O)N2CCCC(COC)(C(=O)[O-])C2)CC[N@@H+]1C	REAL300002497813	0	50	0.0	-62.02	354.36	7.06	-54.96
CC[C@@H]1[C@@H](C(=O)N2CCCC(COC)(C(=O)[O-])C2)CC[N@H+]1C	REAL300002497813	1	50	0.0	-81.54	356.07	7.97	-73.57
COCC1(C(=O)[O-])CCCN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C1	REAL300002497816	1	51	0.0	-84.42	375.28	6.33	-78.09
COCC1(C(=O)[O-])CCCN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C1	REAL300002497816	1	51	0.0	-87.04	381.29	7.49	-79.55
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300002497817	0	46	0.0	-71.85	341.72	7.94	-63.91
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300002497817	1	46	0.0	-73.80	347.47	8.25	-65.55
COCC1(C(=O)[O-])CCCN(C(=O)C2C[N@H+](C)CC(C)O2)C1	REAL300002497825	1	48	0.0	-91.45	354.43	6.54	-84.91
COCC1(C(=O)[O-])CCCN(C(=O)C2C[N@@H+](C)CC(C)O2)C1	REAL300002497825	1	48	0.0	-91.52	346.47	6.72	-84.80
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300002497831	0	57	0.0	-80.47	416.64	11.36	-69.11
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300002497831	1	57	0.0	-85.00	416.99	10.67	-74.33
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300002497832	1	53	0.0	-73.36	392.94	8.08	-65.28
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300002497832	1	53	0.0	-69.92	390.37	8.55	-61.37
COCC1(C(=O)[O-])CCCN(C(=O)C(C)C[NH+]2CCOCC2)C1	REAL300002497837	0	51	0.0	-80.95	367.59	6.66	-74.29
COCC1(C(=O)[O-])CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300002497838	0	58	0.0	-85.33	429.27	8.95	-76.38
COCC1(C(=O)[O-])CCCN(C(=O)C[NH+]2CCC(C)CC2)C1	REAL300002497848	0	50	0.0	-77.29	361.62	8.61	-68.68
CC[N@@H+]1CCOC(C(=O)N2CCCC(COC)(C(=O)[O-])C2)C1	REAL300002497863	1	48	0.0	-77.76	340.36	6.95	-70.81
CC[N@H+]1CCOC(C(=O)N2CCCC(COC)(C(=O)[O-])C2)C1	REAL300002497863	1	48	0.0	-57.94	349.59	7.15	-50.79
COCC1(C(=O)[O-])CCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300002497903	0	57	0.0	-80.68	399.80	9.84	-70.84
COCC1(C(=O)[O-])CCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300002497903	1	57	0.0	-77.68	404.06	10.02	-67.66
COCC1(C(=O)[O-])CCCN(C(=O)CCC2CCC[N@@H+]2C)C1	REAL300002497910	0	50	0.0	-79.46	361.77	7.60	-71.86
COCC1(C(=O)[O-])CCCN(C(=O)CCC2CCC[N@H+]2C)C1	REAL300002497910	1	50	0.0	-78.90	359.78	8.29	-70.61
COCC1(C(=O)[O-])CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300002497922	0	51	0.0	-79.74	347.34	7.83	-71.91
COCC1(C(=O)[O-])CCCN(C(=O)C2(C)CC(O)C[N@@H+]2C)C1	REAL300002497926	0	48	0.0	-74.61	340.47	2.95	-71.66
COCC1(C(=O)[O-])CCCN(C(=O)C2(C)CC(O)C[N@H+]2C)C1	REAL300002497926	1	48	0.0	-48.79	328.17	3.46	-45.33
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300002497927	0	51	0.0	-70.68	362.74	8.87	-61.81
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300002497927	1	51	0.0	-71.70	364.13	8.32	-63.38
COCC1(C(=O)[O-])CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1	REAL300002497935	0	54	0.0	-79.20	370.46	6.73	-72.47
COCC1(C(=O)[O-])CCCN(C(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C1	REAL300002497940	0	57	0.0	-83.85	403.23	8.29	-75.56
COCC1(C(=O)[O-])CCCN(C(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C1	REAL300002497940	1	57	0.0	-84.79	404.51	7.68	-77.11
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C1	REAL300002497944	0	59	0.0	-85.34	435.34	8.11	-77.23
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C1	REAL300002497945	0	59	0.0	-86.35	436.58	8.14	-78.21
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C1	REAL300002497945	1	59	0.0	-91.34	436.02	8.02	-83.32
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(COC)(C(=O)[O-])C2)C=C1	REAL300002497946	0	60	0.0	-85.49	441.27	9.81	-75.68
COCC1(C(=O)[O-])CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1	REAL300002497954	0	53	0.0	-83.05	379.01	8.31	-74.74
COCC1(C(=O)[O-])CCCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300002498041	0	48	0.0	-87.24	329.81	7.03	-80.21
COCC1(C(=O)[O-])CCCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300002498041	1	48	0.0	-87.79	329.66	6.90	-80.89
COCC1(C(=O)[O-])CCCN(C(=O)C[NH+]2C(C)CCC2C)C1	REAL300002498094	0	50	0.0	-72.31	355.40	8.00	-64.31
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C1	REAL300002498095	0	50	0.0	-84.70	376.72	8.68	-76.02
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002498096	0	57	0.0	-79.29	419.94	11.27	-68.02
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002498096	1	57	0.0	-81.62	411.38	10.53	-71.09
C#CC[NH+]1CCC(C(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300002498167	0	49	0.0	-86.14	368.96	8.27	-77.87
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300002498169	0	53	0.0	-71.22	378.66	9.09	-62.13
CCC[N@H+]1CCCCC1C(=O)N1CCCC(COC)(C(=O)[O-])C1	REAL300002498169	1	53	0.0	-75.15	371.57	8.15	-67.00
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1	REAL300002498170	0	50	0.0	-60.90	372.55	8.95	-51.95
CC[NH+]1CCN(CCC(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300002498172	0	55	0.0	-81.43	397.61	6.89	-74.54
CCN1CC[NH+](CCC(=O)N2CCCC(COC)(C(=O)[O-])C2)CC1	REAL300002498172	1	55	0.0	-81.23	397.32	6.85	-74.38
COCC1(C(=O)[O-])CCCN(C(=O)C(C(C)C)[NH+]2CCCCC2)C1	REAL300002498174	0	56	0.0	-72.58	382.57	9.65	-62.93
COCC1(C(=O)[O-])CCCN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300002498175	1	50	0.0	-70.15	369.91	9.37	-60.78
COCC1(C(=O)[O-])CCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002498179	0	55	0.0	-77.70	407.00	6.95	-70.75
COCC1(C(=O)[O-])CCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002498179	1	55	0.0	-77.06	406.29	6.88	-70.18
COCC1(C(=O)[O-])CCCN(C(=O)CCN2C=C[NH+]=C2C(C)C)C1	REAL300002498185	1	51	0.0	-72.39	383.53	9.48	-62.91
COCC1(C(=O)[O-])CCCN(C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C1	REAL300002498186	0	53	0.0	-64.84	395.63	9.41	-55.43
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300002498191	0	54	0.0	-72.88	376.60	9.55	-63.33
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300002498191	1	54	0.0	-75.27	373.47	9.72	-65.55
COCC1(C(=O)[O-])CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300002498220	1	55	0.0	-68.80	410.79	10.95	-57.85
COCC1(C(=O)[O-])CCCN(C(=O)C(C(C)C)[NH+]2CC(C)OC(C)C2)C1	REAL300002498221	1	60	0.0	-71.72	404.75	8.32	-63.40
COCC1(C(=O)[O-])CCCN(C(=O)C(C)[NH+]2CCCCCC2)C1	REAL300002498222	0	53	0.0	-70.68	365.96	8.47	-62.21
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C1	REAL300002498260	1	55	0.0	-91.45	413.41	9.15	-82.30
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C1	REAL300002498260	1	55	0.0	-92.19	413.04	9.12	-83.07
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(COC)(C(=O)[O-])C2)O1	REAL300002498313	0	53	0.0	-54.73	394.78	9.25	-45.48
COCC1(C(=O)[O-])CCCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300002498314	0	53	0.0	-82.11	391.71	8.94	-73.17
COCC1(C(=O)[O-])CCCN(C(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)C1	REAL300002498316	1	56	0.0	-58.15	413.19	8.52	-49.63
COCC1(C(=O)[O-])CCCN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300002498317	1	50	0.0	-82.78	377.05	9.15	-73.63
COCC1(C(=O)[O-])CCCN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300002498317	1	50	0.0	-82.24	376.51	9.13	-73.11
COCC1(C(=O)[O-])CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1	REAL300002498328	0	49	0.0	-76.45	342.71	7.22	-69.23
COCC1(C(=O)[O-])CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300002498341	1	45	0.0	-85.51	356.29	6.64	-78.87
COCC1(C(=O)[O-])CCCN(C(=O)C2=NOC(C[NH+](C)C)=C2)C1	REAL300002498372	1	46	0.0	-85.27	354.83	6.82	-78.45
COCC1(C(=O)[O-])CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300002498376	0	57	0.0	-80.42	418.47	11.47	-68.95
COCC1(C(=O)[O-])CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300002498376	1	57	0.0	-85.80	418.42	10.92	-74.88
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+]2C(C)C)C1	REAL300002498393	0	50	0.0	-73.12	354.87	7.46	-65.66
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+]2C(C)C)C1	REAL300002498393	1	50	0.0	-72.99	355.68	7.47	-65.52
COCC1(C(=O)[O-])CCCN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300002498400	0	58	0.0	-87.84	440.42	10.65	-77.19
COCC1(C(=O)[O-])CCCN(C(=O)COC2CC[NH+](C)CC2)C1	REAL300002498420	0	51	0.0	-86.71	378.96	8.35	-78.36
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300002498425	0	54	0.0	-84.57	401.22	9.80	-74.77
COCC1(C(=O)[O-])CCCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C1	REAL300002498470	0	56	0.0	-80.55	410.85	9.25	-71.30
COCC1(C(=O)[O-])CCCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C1	REAL300002498470	1	56	0.0	-75.11	408.18	9.13	-65.98
CCC[N@@H+]1CCCC(C(=O)N2CCCC(COC)(C(=O)[O-])C2)C1	REAL300002498620	0	53	0.0	-58.94	381.16	9.16	-49.78
CCC[N@H+]1CCCC(C(=O)N2CCCC(COC)(C(=O)[O-])C2)C1	REAL300002498620	1	53	0.0	-70.39	374.07	8.54	-61.85
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+]2CC(C)C)C1	REAL300002498653	0	53	0.0	-74.91	368.86	8.50	-66.41
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+]2CC(C)C)C1	REAL300002498653	1	53	0.0	-74.87	378.13	8.19	-66.68
COCC1(C(=O)[O-])CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300002498654	0	51	0.0	-77.87	372.45	5.30	-72.57
COCC1(C(=O)[O-])CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300002498757	0	58	0.0	-87.30	423.19	10.74	-76.56
COCC1(C(=O)[O-])CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300002498757	1	58	0.0	-84.93	423.96	11.35	-73.58
COCC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300002498799	1	57	0.0	-80.61	415.61	10.39	-70.22
COCC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300002498799	1	57	0.0	-72.63	422.62	10.68	-61.95
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+](C(C)C)C2)C1	REAL300002498892	0	53	0.0	-78.33	378.84	8.29	-70.04
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+](C(C)C)C2)C1	REAL300002498892	1	53	0.0	-82.72	378.82	8.30	-74.42
COCC1(C(=O)[O-])CCCN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C1	REAL300002498893	0	47	0.0	-85.11	349.30	7.60	-77.51
COCC1(C(=O)[O-])CCCN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C1	REAL300002498893	1	47	0.0	-84.63	342.28	7.14	-77.49
COCC1(C(=O)[O-])CCCN(C(=O)CCC2=[NH+]C(C)=C(C)N2)C1	REAL300002498917	1	48	0.0	-73.96	368.36	7.61	-66.35
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C1	REAL300002499415	0	53	0.0	-85.17	399.21	9.53	-75.64
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300002499423	0	54	0.0	-87.21	406.07	8.46	-78.75
COCC1(C(=O)[O-])CCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002499523	0	60	0.0	-82.11	439.53	11.54	-70.57
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(CN3CCOC(C)C3)C=C2)C1	REAL300002499525	0	58	0.0	-91.54	432.38	8.95	-82.59
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C1	REAL300002499525	1	58	0.0	-90.78	429.61	9.50	-81.28
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C1	REAL300002499525	1	58	0.0	-90.78	429.61	9.50	-81.28
COCC1(C(=O)[O-])CCCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C1	REAL300002499571	0	53	0.0	-72.23	367.35	8.58	-63.65
COCC1(C(=O)[O-])CCCN(C(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C1	REAL300002499575	0	45	0.0	-76.60	356.07	8.66	-67.94
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+](CC(C)C)C2)C1	REAL300002499639	0	56	0.0	-83.12	398.68	9.86	-73.26
COCC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+](CC(C)C)C2)C1	REAL300002499639	1	56	0.0	-76.73	388.51	9.77	-66.96
CC[N@@H+]1CCCC(C(=O)N2CCCC(COC)(C(=O)[O-])C2)C1	REAL300002499640	0	50	0.0	-56.29	351.45	8.38	-47.91
CC[N@H+]1CCCC(C(=O)N2CCCC(COC)(C(=O)[O-])C2)C1	REAL300002499640	1	50	0.0	-75.30	352.41	8.46	-66.84
COCC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C[NH+](C)C)O2)C1	REAL300002499646	1	47	0.0	-59.34	361.27	7.31	-52.03
COCC1(C(=O)[O-])CCCN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C1	REAL300002499651	0	56	0.0	-91.78	374.21	8.22	-83.56
COCC1(C(=O)[O-])CCCN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C1	REAL300002499651	1	56	0.0	-91.84	376.11	7.62	-84.22
COCC1(C(=O)[O-])CCCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300002499654	1	49	0.0	-76.40	353.54	8.63	-67.77
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCCC2=CC=C(Cl)S2)C1	REAL300002499830	1	46	0.0	-49.85	387.83	9.44	-40.41
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CC(C3=CC=CC=C3)C2)C1	REAL300002499957	1	50	0.0	-49.19	375.70	9.95	-39.24
O=C([O-])C1CCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002500943	0	47	0.0	-82.16	353.51	10.30	-71.86
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC3C(=O)[O-])CC2)=CS1	REAL300002501992	1	46	0.0	-78.17	364.66	8.74	-69.43
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC2C(=O)[O-])C=C1	REAL300002502026	0	50	0.0	-84.57	390.84	10.11	-74.46
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC2C(=O)[O-])=C1	REAL300002502031	0	50	0.0	-84.74	387.62	12.21	-72.53
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC2C(=O)[O-])=C1	REAL300002502031	1	50	0.0	-64.75	382.94	11.75	-53.00
O=C([O-])C1CCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002502115	0	40	0.0	-84.86	322.91	7.41	-77.45
O=C([O-])C1CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002502132	0	48	0.0	-71.40	338.02	7.48	-63.92
CC[N@H+](CC1=CC=C(C(=O)N2CCCC2C(=O)[O-])C=C1)C(C)C	REAL300002502144	0	49	0.0	-88.54	353.56	10.14	-78.40
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC2C(=O)[O-])C=C1)C(C)C	REAL300002502144	1	49	0.0	-87.11	351.50	9.83	-77.28
O=C([O-])C1CCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002502158	0	44	0.0	-72.23	340.28	9.59	-62.64
O=C([O-])C1CCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002502158	1	44	0.0	-73.70	337.09	9.50	-64.20
O=C([O-])C1CCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002502159	0	45	0.0	-85.65	339.24	9.33	-76.32
O=C([O-])C1CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002502177	0	48	0.0	-74.12	334.84	7.13	-66.99
O=C([O-])C1CCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002502184	0	50	0.0	-63.97	370.46	11.65	-52.32
O=C([O-])C1CCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002502184	1	50	0.0	-59.82	368.10	11.21	-48.61
O=C([O-])C1CCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002502218	0	44	0.0	-90.71	334.82	9.69	-81.02
O=C([O-])C1CCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002502221	0	47	0.0	-82.28	352.46	10.47	-71.81
CCN1CCC([NH+]2CCC(C(=O)N3CCCC3C(=O)[O-])CC2)CC1	REAL300002502226	0	55	0.0	-78.15	386.16	7.89	-70.26
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC3C(=O)[O-])C=C2)CC(C)O1	REAL300002502231	1	51	0.0	-93.62	385.82	9.50	-84.12
O=C([O-])C1CCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002502240	1	48	0.0	-84.67	362.06	9.28	-75.39
O=C([O-])C1CCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002502240	1	48	0.0	-86.13	364.36	9.93	-76.20
CC1=C(C(=O)N2CCCC2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002502253	1	38	0.0	-85.68	309.79	6.74	-78.94
O=C([O-])C1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002502256	0	47	0.0	-89.40	352.14	10.42	-78.98
O=C([O-])C1CCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002502267	1	45	0.0	-78.04	346.33	9.19	-68.85
O=C([O-])C1CCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002502267	1	45	0.0	-78.64	340.74	8.91	-69.73
CC(C(=O)N1CCCC1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002502275	0	53	0.0	-67.78	383.15	11.42	-56.36
COCCOCC[N@H+](C)CCC(=O)N1CCCC1C(=O)[O-]	REAL300002502292	0	47	0.0	-71.88	364.95	6.00	-65.88
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1C(=O)[O-]	REAL300002502292	1	47	0.0	-71.81	364.97	5.99	-65.82
O=C([O-])C1CCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002502298	0	52	0.0	-78.57	391.05	9.51	-69.06
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC2C(=O)[O-])CC1	REAL300002502314	0	51	0.0	-74.58	368.53	6.98	-67.60
CC(C)N1CC[NH+](CCCC(=O)N2CCCC2C(=O)[O-])CC1	REAL300002502314	1	51	0.0	-74.73	370.10	7.14	-67.59
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC3C(=O)[O-])CC2)=C1	REAL300002502318	0	52	0.0	-74.14	391.01	9.41	-64.73
O=C([O-])C1CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002502319	0	49	0.0	-74.15	369.56	8.71	-65.44
O=C([O-])C1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002502322	0	46	0.0	-71.35	354.37	8.56	-62.79
O=C([O-])C1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002502322	1	46	0.0	-72.66	351.52	8.86	-63.80
CC(C(=O)N1CCCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002502325	1	44	0.0	-64.67	332.60	9.55	-55.12
CC(C(=O)N1CCCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002502325	1	44	0.0	-64.31	327.64	9.54	-54.77
O=C([O-])C1CCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002502339	0	47	0.0	-79.93	363.22	10.51	-69.42
O=C([O-])C1CCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002502339	1	47	0.0	-77.83	359.21	10.52	-67.31
O=C([O-])C1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002502348	0	47	0.0	-71.38	365.85	10.39	-60.99
O=C([O-])C1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002502348	1	47	0.0	-71.75	364.16	10.75	-61.00
O=C([O-])C1CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002502350	0	48	0.0	-73.25	367.31	8.13	-65.12
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC3C(=O)[O-])=C2)CC1	REAL300002502373	0	49	0.0	-83.04	369.56	8.04	-75.00
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC3C(=O)[O-])C=C2)CC1	REAL300002502374	0	49	0.0	-91.17	369.52	8.04	-83.13
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC3C(=O)[O-])C=C2)CC1	REAL300002502374	1	49	0.0	-90.02	368.96	7.92	-82.10
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC2C(=O)[O-])C=C1	REAL300002502375	0	50	0.0	-87.39	371.63	9.49	-77.90
O=C([O-])C1CCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002502397	0	51	0.0	-91.41	384.11	7.78	-83.63
O=C([O-])C1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002502399	0	47	0.0	-68.89	357.70	10.72	-58.17
O=C([O-])C1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002502399	1	47	0.0	-68.89	357.74	10.69	-58.20
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3C(=O)[O-])=CC=C1N2	REAL300002502463	1	45	0.0	-94.16	346.70	9.04	-85.12
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3C(=O)[O-])=CC=C1N2	REAL300002502463	1	45	0.0	-93.48	347.97	8.71	-84.77
CC1=CC=C(N2CCC(C(=O)N3CCCC3C(=O)[O-])CC2)[NH+]=C1	REAL300002502493	1	46	0.0	-78.81	346.42	8.14	-70.67
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC3C(=O)[O-])C=C2)CC1	REAL300002502496	0	52	0.0	-88.29	378.97	8.99	-79.30
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C(=O)[O-]	REAL300002502517	0	47	0.0	-72.65	354.78	10.23	-62.42
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C(=O)[O-]	REAL300002502517	1	47	0.0	-74.42	359.53	10.30	-64.12
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC2C(=O)[O-])C=C1	REAL300002502530	0	48	0.0	-89.45	377.43	10.21	-79.24
O=C([O-])C1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002502539	0	44	0.0	-85.78	338.73	9.08	-76.70
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC2C(=O)[O-])C=C1	REAL300002502916	0	44	0.0	-89.40	340.63	8.42	-80.98
O=C([O-])C1CCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002502955	0	50	0.0	-77.07	376.46	11.30	-65.77
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC3C(=O)[O-])C=C2)CCO1	REAL300002502957	1	48	0.0	-92.15	359.70	8.53	-83.62
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC3C(=O)[O-])C=C2)CCO1	REAL300002502957	1	48	0.0	-92.19	359.72	8.52	-83.67
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)=C2)N=N1	REAL300002504328	0	50	0.0	-83.06	409.95	9.98	-73.08
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)=C2)N=N1	REAL300002504328	1	50	0.0	-82.61	408.38	9.94	-72.67
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3CC[NH+](C4CC4)CC3)=C2)N=N1	REAL300002505083	0	47	0.0	-85.98	374.07	8.12	-77.86
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3CCC[N@@H+]3C3CC3)=C2)N=N1	REAL300002505108	0	44	0.0	-77.56	362.16	7.78	-69.78
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3CCC[N@H+]3C3CC3)=C2)N=N1	REAL300002505108	1	44	0.0	-77.44	357.00	7.63	-69.81
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=CC(N4C=C(C(=O)[O-])N=N4)=C3)CN21	REAL300002505114	1	45	0.0	-77.42	372.71	8.00	-69.42
C[N@@H+]1CCCCC1C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002505188	0	43	0.0	-79.61	346.58	6.88	-72.73
C[N@H+]1CCCCC1C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002505188	1	43	0.0	-78.27	337.32	6.66	-71.61
CC(C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1)N1CC[NH+](C)CC1	REAL300002505189	1	48	0.0	-80.50	378.02	5.08	-75.42
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002505226	0	43	0.0	-73.46	346.50	6.87	-66.59
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002505226	1	43	0.0	-77.58	337.32	6.67	-70.91
C[NH+]1CCC(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)CC1	REAL300002505304	0	43	0.0	-79.72	349.46	6.92	-72.80
O=C([O-])C1=CN(C2=CC(NC(=O)C3=CN4C=[NH+]C=C4C=C3)=CC=C2)N=N1	REAL300002505334	0	38	0.0	-83.21	335.07	8.77	-74.44
C[NH+](C)CC1(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)CCCCC1	REAL300002505365	0	52	0.0	-76.16	389.42	8.80	-67.36
C[N@H+](CCC(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1)C1CCCCC1	REAL300002505370	0	52	0.0	-80.14	403.03	8.87	-71.27
C[N@@H+](CCC(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1)C1CCCCC1	REAL300002505370	1	52	0.0	-85.83	402.97	8.86	-76.97
C[N@@H+]1CCCC1C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002505386	0	40	0.0	-75.00	330.45	6.22	-68.78
C[N@H+]1CCCC1C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002505386	1	40	0.0	-78.52	330.96	6.32	-72.20
C[NH+]1CCC(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)CC1	REAL300002505437	0	43	0.0	-79.72	349.46	6.92	-72.80
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3CCCC[N@@H+]3C3CCCC3)=C2)N=N1	REAL300002505456	0	53	0.0	-77.67	397.33	9.17	-68.50
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3CCCC[N@H+]3C3CCCC3)=C2)N=N1	REAL300002505456	1	53	0.0	-71.67	401.89	9.11	-62.56
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3CCC([NH+]4CCOCC4)CC3)=C2)N=N1	REAL300002505457	0	54	0.0	-72.60	409.83	7.37	-65.23
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002505491	1	44	0.0	-80.44	375.53	8.17	-72.27
O=C([O-])C1=CN(C2=CC(NC(=O)CCCC[NH+]3CCOCC3)=CC=C2)N=N1	REAL300002505492	1	50	0.0	-86.36	403.15	6.85	-79.51
C[C@@H](C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1)[NH+](C)C	REAL300002505498	0	39	0.0	-81.32	322.78	5.69	-75.63
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002505499	0	40	0.0	-78.00	324.64	5.83	-72.17
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002505499	1	40	0.0	-74.54	329.44	6.31	-68.23
C[C@H](C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1)[NH+](C)C	REAL300002505503	0	39	0.0	-80.18	321.89	5.74	-74.44
C[NH+](C)C1(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)CC1	REAL300002505511	1	40	0.0	-78.13	327.10	6.83	-71.30
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)=C2)N=N1	REAL300002505553	0	50	0.0	-80.26	408.04	9.64	-70.62
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)=C2)N=N1	REAL300002505553	1	50	0.0	-80.36	409.68	9.77	-70.59
O=C([O-])C1=CN(C2=CC(NC(=O)CC3([NH+]4CCOCC4)CCCC3)=CC=C2)N=N1	REAL300002505573	0	54	0.0	-86.69	397.83	6.92	-79.77
CCC(C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1)[NH+](CC)CC	REAL300002505577	0	48	0.0	-71.84	369.40	7.69	-64.15
CC(C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002505579	1	49	0.0	-78.98	399.68	9.23	-69.75
CC(C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002505579	1	49	0.0	-78.24	398.72	9.31	-68.93
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C=N1	REAL300002505607	0	45	0.0	-89.46	378.83	7.27	-82.19
CCC[NH+](CCC)CCCC(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002505612	0	54	0.0	-79.11	427.57	9.48	-69.63
CC[N@H+](C)C(C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1)C1=CC=CC=C1	REAL300002505613	1	49	0.0	-79.72	397.08	9.42	-70.30
CC[N@@H+](C)C(C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1)C1=CC=CC=C1	REAL300002505613	1	49	0.0	-75.25	393.05	9.19	-66.06
C[N@@H+]1CCOC(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C1	REAL300002505615	1	41	0.0	-75.76	335.19	5.45	-70.31
C[N@H+]1CCOC(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C1	REAL300002505615	1	41	0.0	-85.68	341.72	5.64	-80.04
CC[NH+](CC)C(C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1)C1=CC=CC=C1	REAL300002505617	0	52	0.0	-83.98	403.95	9.44	-74.54
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002505626	1	44	0.0	-77.25	370.23	8.00	-69.25
C[NH+](C)C(C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1)C1=CC=C(Cl)C=C1	REAL300002505631	1	46	0.0	-85.00	396.01	9.27	-75.73
O=C([O-])C1=CN(C2=CC(NC(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)=CC=C2)N=N1	REAL300002505639	0	50	0.0	-93.67	407.51	9.90	-83.77
C[NH+](C)CC1(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)CC1	REAL300002505648	0	43	0.0	-73.45	355.26	7.01	-66.44
C[NH+](C)CCCCC(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002505654	0	45	0.0	-79.12	369.97	7.41	-71.71
CC(C)C(C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1)[NH+](C)C	REAL300002505662	0	45	0.0	-74.48	348.12	6.70	-67.78
CC1=C(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002505672	1	44	0.0	-89.27	380.66	7.15	-82.12
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C3=NOC(C[NH+]4CCCC4)=C3)=C2)N=N1	REAL300002505688	1	46	0.0	-87.76	389.05	7.44	-80.32
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C=C1	REAL300002505689	0	49	0.0	-95.05	405.20	9.59	-85.46
CCC[N@H+](C)CC(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002505709	0	42	0.0	-81.91	344.11	6.67	-75.24
CCC[N@@H+](C)CC(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002505709	1	42	0.0	-81.94	344.13	6.67	-75.27
C[N@H+](CC(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1)C1CCC1	REAL300002505731	0	43	0.0	-80.11	350.67	7.25	-72.86
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CC[NH+](CC)CC(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002506021	0	42	0.0	-80.46	335.89	6.36	-74.10
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CC(C(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1)[NH+]1CCCCCC1	REAL300002506265	0	49	0.0	-74.44	372.78	8.16	-66.28
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CC(C)(C)[NH2+]CC(=O)NC1=CC=CC(N2C=C(C(=O)[O-])N=N2)=C1	REAL300002506342	0	42	0.0	-77.84	343.56	5.00	-72.84
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CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C1	REAL300002506832	0	49	0.0	-74.66	377.40	8.26	-66.40
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C1	REAL300002506832	1	49	0.0	-74.69	377.40	8.27	-66.42
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C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)=C1	REAL300002507290	0	49	0.0	-86.32	405.20	9.58	-76.74
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C=C1	REAL300002507296	0	50	0.0	-91.32	412.50	8.54	-82.78
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C1	REAL300002507428	0	43	0.0	-76.74	354.09	7.00	-69.74
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)CC1	REAL300002507432	0	49	0.0	-71.04	377.13	7.96	-63.08
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=CC(N4C=C(C(=O)[O-])N=N4)=C3)=CN21	REAL300002507436	0	41	0.0	-80.65	356.12	8.55	-72.10
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C1	REAL300002507495	0	52	0.0	-76.97	406.35	8.95	-68.02
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C1	REAL300002507495	1	52	0.0	-77.23	406.25	8.99	-68.24
CC[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C1	REAL300002507496	0	46	0.0	-72.35	360.80	7.76	-64.59
CC[N@H+]1CCCC(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C1	REAL300002507496	1	46	0.0	-74.60	360.81	7.76	-66.84
C[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C1	REAL300002507501	0	43	0.0	-74.54	343.10	7.10	-67.44
C[N@H+]1CCCC(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C1	REAL300002507501	1	43	0.0	-78.89	349.25	6.86	-72.03
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)O1	REAL300002507503	1	43	0.0	-91.51	368.40	6.98	-84.53
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C1	REAL300002507509	0	52	0.0	-79.77	394.91	8.36	-71.41
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(N3C=C(C(=O)[O-])N=N3)=C2)C1	REAL300002507509	1	52	0.0	-79.30	394.64	8.39	-70.91
O=C([O-])C1=CN(C2=CC=CC(NC(=O)C34CC(C3)C[N@H+]4C3CC3)=C2)N=N1	REAL300002507512	1	45	0.0	-74.79	360.92	8.32	-66.47
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300002509154	0	51	0.0	-84.91	393.62	9.89	-75.02
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCC[N@@H+]2C2CC2)=C1	REAL300002509178	0	48	0.0	-75.46	376.77	9.35	-66.11
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCC[N@H+]2C2CC2)=C1	REAL300002509178	1	48	0.0	-76.41	376.52	9.39	-67.02
CC1=[NH+]C=C2CCC(C(=O)NC3=CC(N4N=CC(C(=O)[O-])=C4C)=CC=C3)CN21	REAL300002509184	1	49	0.0	-70.43	392.30	9.78	-60.65
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C[NH+](C)C)=C1	REAL300002509247	1	40	0.0	-78.57	324.44	7.03	-71.54
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCCC[N@H+]2C)=C1	REAL300002509248	0	47	0.0	-72.37	365.95	8.65	-63.72
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCCC[N@@H+]2C)=C1	REAL300002509248	1	47	0.0	-76.21	358.57	8.51	-67.70
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C(C)N2CC[NH+](C)CC2)=C1	REAL300002509249	1	52	0.0	-76.71	397.60	6.85	-69.86
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)[C@@H]2CCCC[N@H+]2C)=C1	REAL300002509283	0	47	0.0	-78.30	366.07	8.65	-69.65
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)=C1	REAL300002509283	1	47	0.0	-77.34	356.87	8.44	-68.90
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CC[NH+](C)CC2)=C1	REAL300002509340	0	47	0.0	-78.82	368.99	8.69	-70.13
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=C1	REAL300002509370	0	42	0.0	-82.40	354.62	10.54	-71.86
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2(C[NH+](C)C)CCCCC2)=C1	REAL300002509397	0	56	0.0	-81.60	406.00	10.44	-71.16
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)CC[N@@H+](C)C2CCCCC2)=C1	REAL300002509402	0	56	0.0	-83.69	422.89	10.62	-73.07
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)CC[N@H+](C)C2CCCCC2)=C1	REAL300002509402	1	56	0.0	-84.72	422.61	10.63	-74.09
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCC[N@H+]2C)=C1	REAL300002509416	0	44	0.0	-76.03	349.98	7.99	-68.04
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCC[N@@H+]2C)=C1	REAL300002509416	1	44	0.0	-74.55	352.22	8.14	-66.41
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CC[NH+](C)CC2)=C1	REAL300002509465	0	47	0.0	-78.82	368.99	8.69	-70.13
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=C1	REAL300002509477	0	57	0.0	-76.38	416.87	10.95	-65.43
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=C1	REAL300002509477	1	57	0.0	-76.45	421.32	10.81	-65.64
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C)=C1	REAL300002509507	1	48	0.0	-73.90	395.43	9.94	-63.96
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)CCCC[NH+]2CCOCC2)=C1	REAL300002509508	1	54	0.0	-80.66	422.71	8.62	-72.04
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)[C@H](C)[NH+](C)C)=C1	REAL300002509514	0	43	0.0	-80.20	342.40	7.47	-72.73
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)[C@H]2CCC[N@H+]2C)=C1	REAL300002509515	0	44	0.0	-79.31	344.18	7.60	-71.71
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)[C@H]2CCC[N@@H+]2C)=C1	REAL300002509515	1	44	0.0	-73.35	348.98	8.08	-65.27
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)[C@@H](C)[NH+](C)C)=C1	REAL300002509519	0	43	0.0	-79.96	342.21	7.44	-72.52
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2([NH+](C)C)CC2)=C1	REAL300002509527	1	44	0.0	-77.31	346.66	8.60	-68.71
CCC(C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C)=C1)[NH+](CC)CC	REAL300002509586	0	52	0.0	-70.72	388.96	9.46	-61.26
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=C1	REAL300002509588	1	53	0.0	-83.93	418.94	11.03	-72.90
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300002509588	1	53	0.0	-77.04	418.24	11.07	-65.97
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)=C1	REAL300002509607	0	49	0.0	-89.47	398.12	8.67	-80.80
CCC[NH+](CCC)CCCC(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C)=C1	REAL300002509611	0	58	0.0	-78.30	442.59	10.96	-67.34
CC[N@H+](C)C(C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C)=C1)C1=CC=CC=C1	REAL300002509612	1	53	0.0	-78.32	416.72	11.20	-67.12
CC[N@@H+](C)C(C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C)=C1)C1=CC=CC=C1	REAL300002509612	1	53	0.0	-72.50	416.97	11.16	-61.34
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2C[N@H+](C)CCO2)=C1	REAL300002509613	1	45	0.0	-88.72	354.76	7.24	-81.48
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2C[N@@H+](C)CCO2)=C1	REAL300002509613	1	45	0.0	-93.53	362.16	7.40	-86.13
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)CN2C=C[NH+]=C2C(C)C)=C1	REAL300002509624	1	48	0.0	-76.21	389.87	9.78	-66.43
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2(C[NH+](C)C)CC2)=C1	REAL300002509637	0	47	0.0	-79.67	369.90	8.75	-70.92
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)CCCC[NH+](C)C)=C1	REAL300002509643	0	49	0.0	-78.56	389.81	9.17	-69.39
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C(C(C)C)[NH+](C)C)=C1	REAL300002509651	0	49	0.0	-74.71	374.12	9.14	-65.57
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=C1	REAL300002509665	1	50	0.0	-85.69	408.93	9.21	-76.48
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=C1	REAL300002509666	0	53	0.0	-94.02	424.80	11.37	-82.65
CCC[N@H+](C)CC(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C)=C1	REAL300002509681	0	46	0.0	-78.13	363.67	8.45	-69.68
CCC[N@@H+](C)CC(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C)=C1	REAL300002509681	1	46	0.0	-78.30	363.72	8.44	-69.86
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C[N@@H+](C)C2CCC2)=C1	REAL300002509702	0	47	0.0	-75.08	370.29	9.03	-66.05
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C[N@H+](C)C2CCC2)=C1	REAL300002509702	1	47	0.0	-79.26	370.45	9.05	-70.21
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C[N@@H+](C)CC(C)(C)C)=C1	REAL300002509722	0	52	0.0	-77.97	393.14	9.46	-68.51
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C[N@H+](C)CC(C)(C)C)=C1	REAL300002509722	1	52	0.0	-77.51	394.35	9.60	-67.91
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CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=C1	REAL300002509724	1	53	0.0	-82.30	423.59	11.46	-70.84
CC[C@@H](C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C)=C1)[NH+](C)C	REAL300002509727	0	46	0.0	-73.77	354.81	8.06	-65.71
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)CC2(O)CCC[N@@H+](C)C2)=C1	REAL300002509729	0	51	0.0	-76.35	384.88	7.11	-69.24
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CCCCCC[N@H+](C)CC(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C)=C1	REAL300002509749	0	55	0.0	-82.06	428.21	10.79	-71.27
CCCCCC[N@@H+](C)CC(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C)=C1	REAL300002509749	1	55	0.0	-78.89	427.90	10.80	-68.09
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C23CCC[NH+]2CCC3)=C1	REAL300002509760	0	48	0.0	-74.81	368.68	8.97	-65.84
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CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)CCN2CC[NH+](C(C)C)CC2)=C1	REAL300002509793	0	58	0.0	-74.99	439.80	8.21	-66.78
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)CC[NH+]2CCN(C(C)C)CC2)=C1	REAL300002509793	1	58	0.0	-79.65	436.30	8.00	-71.65
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CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCCC3CCC[N@H+]32)=C1	REAL300002509794	1	51	0.0	-77.22	380.56	9.58	-67.64
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CN(CC[NH+](C)C)N=C2)=C1	REAL300002509795	0	50	0.0	-89.36	408.77	8.54	-80.82
CCCC(C(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C)=C1)[NH+](C)C	REAL300002509820	0	49	0.0	-74.58	376.16	8.84	-65.74
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=NN(CC[NH+](C)C)C=C2)=C1	REAL300002509833	0	50	0.0	-97.70	408.83	8.57	-89.13
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CC=NN2CC[NH+](C)C)=C1	REAL300002509834	0	50	0.0	-75.40	404.12	8.53	-66.87
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)=C1	REAL300002509837	0	47	0.0	-84.88	360.89	8.01	-76.87
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)=C1	REAL300002509837	1	47	0.0	-83.91	366.48	8.40	-75.51
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=CC(N2N=CC(C(=O)[O-])=C2C)=C1	REAL300002509839	1	51	0.0	-71.89	410.41	10.24	-61.65
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C)=C2)CC[N@@H+]1C	REAL300002509842	0	50	0.0	-78.89	381.50	8.74	-70.15
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C)=C2)CC[N@H+]1C	REAL300002509842	1	50	0.0	-78.60	385.44	9.24	-69.36
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CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCC[N@@H+]2C(C)C)=C1	REAL300002510293	1	50	0.0	-73.52	376.38	9.17	-64.35
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)COC2CC[NH+](C)CC2)=C1	REAL300002510311	0	51	0.0	-89.49	404.42	9.05	-80.44
CCC[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C)=C2)C1	REAL300002510444	0	53	0.0	-71.52	401.90	10.27	-61.25
CCC[N@H+]1CCCC(C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C)=C2)C1	REAL300002510444	1	53	0.0	-80.77	408.17	10.07	-70.70
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCC[N@H+]2CC(C)C)=C1	REAL300002510464	0	53	0.0	-81.28	397.81	10.07	-71.21
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCC[N@@H+]2CC(C)C)=C1	REAL300002510464	1	53	0.0	-73.15	408.75	10.12	-63.03
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C[NH+]2CCC(CO)CC2)=C1	REAL300002510465	1	51	0.0	-79.76	398.17	6.21	-73.55
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCC[N@@H+](C(C)C)C2)=C1	REAL300002510638	0	53	0.0	-74.58	403.56	9.82	-64.76
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCC[N@H+](C(C)C)C2)=C1	REAL300002510638	1	53	0.0	-73.58	397.03	10.05	-63.53
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)=C1	REAL300002510639	0	47	0.0	-90.01	388.09	8.78	-81.23
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)=C1	REAL300002510639	1	47	0.0	-83.13	380.89	8.69	-74.44
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C)=C2)N1	REAL300002510662	1	48	0.0	-72.43	394.68	8.32	-64.11
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)=C1	REAL300002511020	0	53	0.0	-85.42	425.15	11.35	-74.07
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)=C1	REAL300002511131	0	47	0.0	-83.73	375.63	8.82	-74.91
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=C1	REAL300002511135	0	53	0.0	-79.46	396.54	9.71	-69.75
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC(N4N=CC(C(=O)[O-])=C4C)=CC=C3)=CN21	REAL300002511138	0	45	0.0	-73.01	375.73	10.32	-62.69
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCC[N@@H+](CC(C)C)C2)=C1	REAL300002511187	0	56	0.0	-81.57	425.46	10.77	-70.80
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCC[N@H+](CC(C)C)C2)=C1	REAL300002511187	1	56	0.0	-71.98	419.28	10.95	-61.03
CC[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C)=C2)C1	REAL300002511188	0	50	0.0	-75.77	386.99	9.30	-66.47
CC[N@H+]1CCCC(C(=O)NC2=CC=CC(N3N=CC(C(=O)[O-])=C3C)=C2)C1	REAL300002511188	1	50	0.0	-73.45	380.38	9.53	-63.92
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCC[N@@H+](C)C2)=C1	REAL300002511193	0	47	0.0	-71.55	362.73	8.88	-62.67
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2CCC[N@H+](C)C2)=C1	REAL300002511193	1	47	0.0	-77.89	368.82	8.64	-69.25
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C2=CC=C(C[NH+](C)C)O2)=C1	REAL300002511195	1	47	0.0	-92.18	388.96	8.84	-83.34
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)=C1	REAL300002511201	0	56	0.0	-83.69	414.22	10.15	-73.54
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)=C1	REAL300002511201	1	56	0.0	-83.61	414.20	10.16	-73.45
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300002511204	0	49	0.0	-81.61	381.28	9.67	-71.94
CC1=C(C(=O)[O-])C=NN1C1=CC=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=C1	REAL300002511204	1	49	0.0	-84.08	380.54	10.10	-73.98
CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002512210	0	56	0.0	-75.11	421.94	13.70	-61.41
CN(C(=O)C1CC[NH+](C2CC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513493	0	50	0.0	-56.06	371.82	11.31	-44.75
CC1=[NH+]C=C2CCC(C(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])CN12	REAL300002513519	1	48	0.0	-52.69	371.12	11.03	-41.66
CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300002513586	1	51	0.0	-70.21	375.13	8.41	-61.80
CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513620	0	46	0.0	-58.13	336.85	9.91	-48.22
CN(C(=O)[C@@H]1CCCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513620	1	46	0.0	-59.42	344.08	10.15	-49.27
CN(C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513660	0	59	0.0	-76.14	458.47	13.41	-62.73
CN(C(=O)C1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513693	0	46	0.0	-71.71	345.44	10.14	-61.57
CN(C(=O)C1=CN2C=[NH+]C=C2C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513718	0	41	0.0	-74.21	339.37	11.89	-62.32
CN(C(=O)C1(C[NH+](C)C)CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513747	0	55	0.0	-75.18	371.56	11.00	-64.18
CN(C(=O)CC[N@H+](C)C1CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513751	0	55	0.0	-67.05	402.30	12.16	-54.89
CN(C(=O)CC[N@@H+](C)C1CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513751	1	55	0.0	-66.25	402.30	12.15	-54.10
CN(C(=O)C1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513808	0	46	0.0	-71.71	345.44	10.14	-61.57
CN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513811	0	49	0.0	-76.27	392.18	11.01	-65.26
CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513826	0	57	0.0	-50.82	406.66	10.56	-40.26
CC1=[NH+]C=CN1CCCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513855	1	47	0.0	-67.31	374.85	11.47	-55.84
CN(C(=O)CCCC[NH+]1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513856	1	53	0.0	-73.78	402.16	10.16	-63.62
CC[N@H+](CC1=CC=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1)C(C)C	REAL300002513858	0	58	0.0	-76.57	429.99	13.43	-63.14
CC[N@@H+](CC1=CC=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1)C(C)C	REAL300002513858	1	58	0.0	-76.68	420.89	13.02	-63.66
CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513895	0	53	0.0	-68.39	403.99	12.86	-55.53
CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513895	1	53	0.0	-66.88	408.34	12.96	-53.92
CN(C(=O)C1CC[NH+](C2CCSC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513896	0	54	0.0	-61.47	406.25	12.21	-49.26
CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513924	0	57	0.0	-66.56	402.32	10.67	-55.89
CCC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+](CC)CC	REAL300002513928	0	51	0.0	-55.78	367.04	10.71	-45.07
CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002513930	0	52	0.0	-63.67	398.83	12.53	-51.14
CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002513930	1	52	0.0	-62.50	397.12	12.49	-50.01
CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513939	0	59	0.0	-57.25	437.25	14.13	-43.12
CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513939	1	59	0.0	-58.76	438.34	14.69	-44.07
CN(C(=O)C1=CC=C(C[NH+](C)C)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513952	0	48	0.0	-76.12	376.16	9.84	-66.28
CCC[NH+](CCC)CCCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513958	0	57	0.0	-69.49	423.93	12.62	-56.87
CN(C(=O)C1C[N@H+](C)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513960	1	44	0.0	-70.05	325.09	8.57	-61.48
CN(C(=O)C1C[N@@H+](C)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513960	1	44	0.0	-79.27	336.03	8.78	-70.49
CC(C)C1=[NH+]C=CN1CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513968	1	47	0.0	-57.84	371.47	11.45	-46.39
CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513983	0	53	0.0	-79.40	406.79	13.03	-66.37
CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513989	0	56	0.0	-70.10	422.44	13.63	-56.47
CN(C(=O)C1(C[NH+](C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002513995	0	46	0.0	-56.70	351.18	10.18	-46.52
CN(C(=O)CCCC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514004	0	48	0.0	-73.48	371.21	10.82	-62.66
CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514014	1	57	0.0	-80.07	433.42	13.06	-67.01
CN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514014	1	57	0.0	-79.27	440.20	13.20	-66.07
CC1=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002514026	1	47	0.0	-76.49	379.63	10.20	-66.29
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514029	0	56	0.0	-80.04	421.74	13.68	-66.36
CN(C(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514041	1	49	0.0	-76.61	385.47	11.05	-65.56
CN(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514042	0	52	0.0	-82.81	404.48	12.56	-70.25
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514048	1	45	0.0	-57.08	354.23	9.13	-47.95
CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514049	1	54	0.0	-55.65	407.15	12.21	-43.44
CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514049	1	54	0.0	-78.18	412.80	12.34	-65.84
CN(C(=O)C[N@H+](C)C1CCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514069	0	46	0.0	-58.68	351.93	10.68	-48.00
CN(C(=O)C[N@@H+](C)C1CCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514069	1	46	0.0	-57.97	352.07	10.53	-47.44
CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCSCC1	REAL300002514092	1	47	0.0	-47.70	356.07	10.30	-37.40
CN(C(=O)C[N@H+](C)CC(C)(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514098	0	51	0.0	-60.67	375.64	11.10	-49.57
CN(C(=O)C[N@@H+](C)CC(C)(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514098	1	51	0.0	-59.51	373.66	11.10	-48.41
CN(C(=O)C[N@H+](C)CCC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514100	0	52	0.0	-63.47	404.95	13.16	-50.31
CN(C(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514100	1	52	0.0	-63.74	404.99	13.00	-50.74
COCCOCC[N@H+](C)CCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514101	0	56	0.0	-66.15	432.53	9.29	-56.86
COCCOCC[N@@H+](C)CCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514101	1	56	0.0	-69.06	432.58	9.29	-59.77
CN(C(=O)CC1(O)CCC[N@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514105	0	50	0.0	-68.49	363.58	8.85	-59.64
CN(C(=O)CC1(O)CCC[N@@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514105	1	50	0.0	-66.44	366.25	8.83	-57.61
CCCCCC[N@H+](C)CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514117	0	54	0.0	-61.85	409.57	12.31	-49.54
CCCCCC[N@@H+](C)CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514117	1	54	0.0	-62.13	409.58	12.31	-49.82
CN(C(=O)C1=CC2=C[NH+]=CN2C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514131	1	41	0.0	-76.18	341.72	11.98	-64.20
CN(C(=O)C[N@H+](C)C1CCSC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514145	0	47	0.0	-65.08	363.81	10.91	-54.17
CN(C(=O)C[N@@H+](C)C1CCSC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514145	1	47	0.0	-63.25	366.53	10.95	-52.30
CC(C)[NH+]1CCN(CCC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002514160	0	57	0.0	-69.36	421.21	9.76	-59.60
CC(C)N1CC[NH+](CCC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002514160	1	57	0.0	-65.75	415.55	9.52	-56.23
CC(C)[NH+]1CCN(CCCC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002514161	0	60	0.0	-70.15	435.62	10.17	-59.98
CC(C)N1CC[NH+](CCCC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002514161	1	60	0.0	-69.65	437.05	10.33	-59.32
CN(C(=O)C1CCCC2CCC[N@@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514162	0	50	0.0	-61.05	358.43	10.70	-50.35
CN(C(=O)C1CCCC2CCC[N@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514162	1	50	0.0	-60.47	347.46	10.45	-50.02
CN(C(=O)C1=CN(CC[NH+](C)C)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514164	0	49	0.0	-78.15	383.92	9.78	-68.37
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514168	0	58	0.0	-69.93	436.69	11.91	-58.02
CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514170	0	55	0.0	-67.60	410.79	12.01	-55.59
CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514170	1	55	0.0	-61.80	418.49	11.66	-50.14
CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002514175	1	53	0.0	-43.67	390.10	12.56	-31.11
CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002514175	1	53	0.0	-45.67	389.04	12.56	-33.11
CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514194	0	56	0.0	-72.68	428.87	13.80	-58.88
CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514194	1	56	0.0	-74.05	431.39	13.83	-60.22
CN(C(=O)C1=NN(CC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514207	0	49	0.0	-82.62	388.15	10.58	-72.04
CN(C(=O)C1=CC=NN1CC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514208	0	49	0.0	-58.20	381.53	9.69	-48.51
C[C@@H]1[C@H](C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300002514210	0	46	0.0	-71.59	332.46	9.38	-62.21
C[C@@H]1[C@H](C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300002514210	1	46	0.0	-69.49	339.36	9.80	-59.69
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514211	1	50	0.0	-61.05	389.84	11.77	-49.28
CC[C@@H]1[C@@H](C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300002514214	0	49	0.0	-71.99	355.76	10.12	-61.87
CC[C@@H]1[C@@H](C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300002514214	1	49	0.0	-68.71	362.57	10.52	-58.19
CN(C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514217	1	50	0.0	-80.56	389.68	10.10	-70.46
CN(C(=O)C1=NNC(C2CCC[N@H+]2C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514217	1	50	0.0	-79.34	389.26	9.97	-69.37
CC1C[N@H+](C)CC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300002514224	1	47	0.0	-59.27	344.38	8.86	-50.41
CC1C[N@@H+](C)CC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300002514224	1	47	0.0	-70.73	346.80	9.15	-61.58
CN(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514228	0	56	0.0	-70.25	428.43	13.56	-56.69
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514228	1	56	0.0	-62.09	429.81	13.70	-48.39
CC1=[NH+]C=CN1CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514232	1	41	0.0	-60.94	335.27	10.26	-50.68
CC(C[NH+]1CCOCC1)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514234	0	50	0.0	-66.83	370.72	9.09	-57.74
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514235	0	57	0.0	-70.27	434.42	11.31	-58.96
CC1CC[NH+](CC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002514247	0	49	0.0	-59.34	366.58	11.01	-48.33
CC[N@@H+]1CCOC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002514260	1	47	0.0	-51.51	348.23	9.29	-42.22
CC[N@H+]1CCOC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002514260	1	47	0.0	-54.02	347.41	9.27	-44.75
CN(C(=O)C1CC[N@@H+](C2CCCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514292	0	56	0.0	-63.43	407.94	12.35	-51.08
CN(C(=O)C1CC[N@H+](C2CCCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514292	1	56	0.0	-54.56	400.70	12.06	-42.50
CN(C(=O)CCC1CCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514299	0	49	0.0	-69.25	367.76	10.78	-58.47
CN(C(=O)CCC1CCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514299	1	49	0.0	-73.27	373.19	11.25	-62.02
CN(C(=O)C1CCC2CCCC[N@@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514309	0	50	0.0	-59.72	363.07	10.94	-48.78
CN(C(=O)C1CCC2CCCC[N@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514309	1	50	0.0	-55.72	362.47	11.10	-44.62
CN(C(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514321	0	58	0.0	-68.10	439.55	11.20	-56.90
CN(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514322	0	58	0.0	-75.73	438.22	11.10	-64.63
CN(C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514322	1	58	0.0	-80.65	438.57	11.18	-69.47
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300002514324	0	59	0.0	-77.68	446.55	12.97	-64.71
CC(C)[NH+]1CCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002514332	0	52	0.0	-68.46	379.75	11.31	-57.15
CN(C(=O)C12CC[NH+](CC1)C2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514399	0	44	0.0	-72.83	329.61	8.81	-64.02
CN(C(=O)C12CC[N@H+](C1)CCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514408	0	47	0.0	-71.11	338.83	9.43	-61.68
CN(C(=O)C12CC[N@@H+](C1)CCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514408	1	47	0.0	-56.55	326.13	9.03	-47.52
CC1CCC(C)[NH+]1CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514450	0	49	0.0	-55.76	361.13	10.50	-45.26
CN(C(=O)C1=CC(C[NH+](C)C)=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514451	0	49	0.0	-72.69	380.93	11.79	-60.90
CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514452	0	56	0.0	-63.05	403.19	13.29	-49.76
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514452	1	56	0.0	-62.92	402.75	13.17	-49.75
C#CC[NH+]1CCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002514506	0	48	0.0	-72.88	370.13	11.28	-61.60
CC[NH+]1CCN(CCC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002514508	0	54	0.0	-70.71	403.93	9.37	-61.34
CCN1CC[NH+](CCC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002514508	1	54	0.0	-66.01	402.49	9.22	-56.79
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514515	1	50	0.0	-60.45	389.83	11.82	-48.63
CC[N@H+](CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300002514521	0	46	0.0	-56.24	352.49	10.56	-45.68
CC[N@@H+](CC(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300002514521	1	46	0.0	-57.81	350.39	10.55	-47.26
CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300002514548	0	52	0.0	-55.30	372.86	11.35	-43.95
CN(C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514586	1	54	0.0	-79.59	417.20	12.16	-67.43
CN(C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514586	1	54	0.0	-80.35	414.97	12.09	-68.26
CC[NH+](CC)CC1=CC=C(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300002514625	0	52	0.0	-72.57	402.71	11.85	-60.72
CN(C(=O)CCCC[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514626	0	52	0.0	-70.88	395.21	11.88	-59.00
CC1=CC=C(N2CCC(C(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])CC2)[NH+]=C1	REAL300002514628	1	55	0.0	-69.84	412.96	11.35	-58.49
CN(C(=O)C[N@H+](C)CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514629	1	49	0.0	-63.84	382.48	12.30	-51.54
CN(C(=O)C[N@@H+](C)CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514629	1	49	0.0	-63.24	382.48	12.30	-50.94
CN(C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514653	1	44	0.0	-75.64	359.51	9.63	-66.01
CN(C(=O)C1=NOC(C[NH+](C)C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514676	1	45	0.0	-78.66	359.65	9.81	-68.85
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514680	0	56	0.0	-70.60	424.43	13.74	-56.86
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514680	1	56	0.0	-77.73	424.05	13.46	-64.27
CC(C)[N@@H+]1CCCC1C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514695	0	49	0.0	-56.18	352.76	10.72	-45.46
CC(C)[N@H+]1CCCC1C(=O)N(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514695	1	49	0.0	-57.35	363.99	10.55	-46.80
CN(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514703	0	57	0.0	-80.19	446.05	13.14	-67.05
CN(C(=O)COC1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514716	0	50	0.0	-75.72	384.29	10.78	-64.94
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514721	0	53	0.0	-74.76	409.64	12.38	-62.38
CCC[N@@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002514875	0	52	0.0	-60.25	365.94	11.12	-49.13
CCC[N@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002514875	1	52	0.0	-67.05	384.60	11.49	-55.56
CN(C(=O)C[NH+]1CCC(CO)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002514902	0	50	0.0	-60.52	377.78	7.69	-52.83
CC(C)[N@@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002515090	0	52	0.0	-53.51	371.23	10.92	-42.59
CC(C)[N@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002515090	1	52	0.0	-56.93	373.64	11.27	-45.66
CN(C(=O)C1C[N@H+](C)CC1C(F)(F)F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002515091	0	46	0.0	-59.50	358.94	9.98	-49.52
CN(C(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002515091	1	46	0.0	-76.12	360.43	9.98	-66.14
CC1=C(C)[NH+]=C(CCC(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])N1	REAL300002515114	1	47	0.0	-61.30	374.63	9.95	-51.35
CN(C(=O)C1=CC(CC[NH+](C)C)=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002515518	0	52	0.0	-76.00	400.84	12.57	-63.43
CN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002515526	0	53	0.0	-78.53	411.83	11.68	-66.85
CN(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002515616	0	59	0.0	-70.15	444.10	14.61	-55.54
CC1C[N@H+](CC2=CC=C(C(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])C=C2)CCO1	REAL300002515618	1	57	0.0	-82.56	427.81	11.87	-70.69
CC1C[N@@H+](CC2=CC=C(C(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])C=C2)CCO1	REAL300002515618	1	57	0.0	-82.45	427.91	11.86	-70.59
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002515646	0	46	0.0	-65.96	352.37	10.23	-55.73
CN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002515650	0	52	0.0	-74.10	355.80	10.42	-63.68
CC1=[NH+]C=C2C=CC(C(=O)N(C)C(CC3=CC=CC=C3)C(=O)[O-])=CN21	REAL300002515654	0	44	0.0	-64.10	352.01	11.43	-52.67
CC(C)C[N@@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002515705	0	55	0.0	-64.66	400.56	12.08	-52.58
CC(C)C[N@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002515705	1	55	0.0	-57.95	395.94	12.29	-45.66
CC[N@@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002515706	0	49	0.0	-65.00	361.09	10.55	-54.45
CC[N@H+]1CCCC(C(=O)N(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002515706	1	49	0.0	-53.40	356.26	10.46	-42.94
CN(C(=O)C1CCC[N@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002515710	0	46	0.0	-60.90	347.89	9.95	-50.95
CN(C(=O)C1CCC[N@@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002515710	1	46	0.0	-60.68	326.67	9.72	-50.96
CN(C(=O)C1=CC=C(C[NH+](C)C)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002515712	1	46	0.0	-75.48	366.98	10.39	-65.09
CN(C(=O)C12CC(C1)C[N@@H+]2C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002515720	0	48	0.0	-58.41	360.75	10.94	-47.47
CN(C(=O)C12CC(C1)C[N@H+]2C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002515720	1	48	0.0	-59.20	359.57	11.32	-47.88
O=C([O-])C1(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300002516842	0	47	0.0	-60.64	364.17	9.66	-50.98
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300002517532	0	44	0.0	-46.00	345.80	8.98	-37.02
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300002517532	1	44	0.0	-55.10	350.75	8.71	-46.39
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300002518128	1	44	0.0	-48.87	362.51	9.50	-39.37
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300002518128	1	44	0.0	-52.31	362.14	9.55	-42.76
O=C([O-])C1(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300002518182	0	47	0.0	-52.02	358.13	9.00	-43.02
CC1=NC(C[NH+]2CCC(C(=O)NCC3(C(=O)[O-])CC3)CC2)=CS1	REAL300002518223	1	46	0.0	-60.14	371.21	7.69	-52.45
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300002518264	0	50	0.0	-65.91	396.79	9.07	-56.84
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300002518272	0	50	0.0	-71.71	397.95	11.50	-60.21
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300002518272	1	50	0.0	-71.54	397.89	11.51	-60.03
CC1(C(=O)NCC2(C(=O)[O-])CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002518273	0	50	0.0	-52.09	376.89	10.07	-42.02
O=C([O-])C1(CNC(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300002518308	0	47	0.0	-54.35	379.94	9.94	-44.41
O=C([O-])C1(CNC(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300002518308	1	47	0.0	-55.27	379.12	9.94	-45.33
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300002518342	1	47	0.0	-45.87	368.18	9.66	-36.21
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300002518342	1	47	0.0	-49.95	368.14	9.64	-40.31
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300002518343	1	44	0.0	-49.58	352.18	9.05	-40.53
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300002518343	1	44	0.0	-53.22	351.82	9.09	-44.13
O=C([O-])C1(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300002518382	0	40	0.0	-63.38	332.32	7.04	-56.34
C[NH+](C)CCN1N=CC(C(=O)NCC2(C(=O)[O-])CC2)=C1C1=CC=CC=C1	REAL300002518387	0	50	0.0	-75.77	402.92	8.87	-66.90
O=C([O-])C1(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300002518410	0	48	0.0	-62.69	354.80	6.70	-55.99
CC[N@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CC2)C=C1)C(C)C	REAL300002518425	0	49	0.0	-63.61	366.22	9.36	-54.25
CC[N@@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CC2)C=C1)C(C)C	REAL300002518425	1	49	0.0	-63.42	360.22	8.98	-54.44
O=C([O-])C1(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300002518444	0	44	0.0	-55.53	348.07	8.87	-46.66
O=C([O-])C1(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300002518444	1	44	0.0	-55.61	346.21	8.83	-46.78
O=C([O-])C1(CNC(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300002518445	0	45	0.0	-62.55	346.89	8.32	-54.23
C[NH+]1CCN(C(C(=O)NCC2(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300002518464	1	49	0.0	-61.90	379.61	7.58	-54.32
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC1(C(=O)[O-])CC1	REAL300002518465	0	48	0.0	-55.54	340.48	6.32	-49.22
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300002518473	0	50	0.0	-53.99	380.48	10.68	-43.31
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300002518473	1	50	0.0	-58.80	386.73	10.48	-48.32
O=C([O-])C1(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CC1	REAL300002518510	1	48	0.0	-47.10	370.99	6.37	-40.73
CC[NH+](CC)C(C(=O)NCC1(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300002518515	0	46	0.0	-45.99	342.93	8.49	-37.50
C[NH+](C)C(C(=O)NCC1(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300002518516	1	40	0.0	-50.22	334.11	8.33	-41.89
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300002518528	0	44	0.0	-66.92	346.05	9.07	-57.85
O=C([O-])C1(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300002518533	0	47	0.0	-66.49	362.80	9.76	-56.73
CCN1CCC([NH+]2CCC(C(=O)NCC3(C(=O)[O-])CC3)CC2)CC1	REAL300002518538	0	55	0.0	-56.10	396.84	7.25	-48.85
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300002518540	0	57	0.0	-61.30	449.48	12.87	-48.43
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300002518540	1	57	0.0	-53.57	443.68	13.05	-40.52
CC1C[NH+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CC3)C=C2)CC(C)O1	REAL300002518544	1	51	0.0	-69.93	396.11	8.80	-61.13
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NCC1(C(=O)[O-])CC1	REAL300002518554	1	48	0.0	-65.17	377.37	8.98	-56.19
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NCC1(C(=O)[O-])CC1	REAL300002518554	1	48	0.0	-63.81	370.71	8.91	-54.90
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300002518569	0	47	0.0	-47.69	352.35	9.41	-38.28
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300002518569	1	47	0.0	-46.36	361.70	9.57	-36.79
CC1=C(C(=O)NCC2(C(=O)[O-])CC2)C=NN1C1=CC=[NH+]C=C1	REAL300002518570	1	38	0.0	-71.52	318.84	6.31	-65.21
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300002518577	0	47	0.0	-67.29	362.79	9.76	-57.53
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC1(C(=O)[O-])CC1	REAL300002518587	0	57	0.0	-63.18	437.99	12.50	-50.68
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC1(C(=O)[O-])CC1	REAL300002518587	1	57	0.0	-63.26	437.35	12.57	-50.69
O=C([O-])C1(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300002518592	1	45	0.0	-53.97	350.10	8.29	-45.68
O=C([O-])C1(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300002518592	1	45	0.0	-44.96	350.11	8.30	-36.66
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC1	REAL300002518596	0	54	0.0	-61.65	407.27	11.25	-50.40
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC1	REAL300002518596	1	54	0.0	-59.98	400.10	10.97	-49.01
CC(C(=O)NCC1(C(=O)[O-])CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002518604	0	53	0.0	-49.59	401.34	10.90	-38.69
COCCOCC[N@H+](C)CCC(=O)NCC1(C(=O)[O-])CC1	REAL300002518625	0	47	0.0	-55.40	371.25	5.04	-50.36
COCCOCC[N@@H+](C)CCC(=O)NCC1(C(=O)[O-])CC1	REAL300002518625	1	47	0.0	-55.59	371.27	5.06	-50.53
O=C([O-])C1(CNC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300002518634	0	52	0.0	-62.09	397.38	8.57	-53.52
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC1	REAL300002518635	1	46	0.0	-51.65	347.22	7.67	-43.98
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC1	REAL300002518635	1	46	0.0	-48.85	347.32	7.68	-41.17
CC(C)[NH+]1CCN(CCCC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300002518654	0	51	0.0	-60.51	379.93	6.41	-54.10
CC(C)N1CC[NH+](CCCC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300002518654	1	51	0.0	-58.11	376.25	6.20	-51.91
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC3(C(=O)[O-])CC3)CC2)=C1	REAL300002518658	0	52	0.0	-57.08	396.93	8.33	-48.75
O=C([O-])C1(CNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300002518659	0	49	0.0	-57.11	375.52	7.66	-49.45
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300002518662	0	46	0.0	-64.57	362.83	7.60	-56.97
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300002518662	1	46	0.0	-56.19	352.81	7.96	-48.23
CC(C(=O)NCC1(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002518665	1	44	0.0	-48.07	341.44	8.79	-39.28
CC(C(=O)NCC1(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002518665	1	44	0.0	-45.99	341.46	8.80	-37.19
O=C([O-])C1(CNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300002518688	0	47	0.0	-60.77	368.24	9.64	-51.13
O=C([O-])C1(CNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300002518688	1	47	0.0	-66.74	372.57	9.26	-57.48
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300002518702	0	47	0.0	-58.46	364.41	9.88	-48.58
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300002518702	1	47	0.0	-55.42	364.34	9.88	-45.54
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC1	REAL300002518703	1	43	0.0	-43.56	343.93	7.49	-36.07
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC1	REAL300002518703	1	43	0.0	-51.56	343.93	7.31	-44.25
O=C([O-])C1(CNC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC1	REAL300002518705	0	48	0.0	-56.37	373.28	7.08	-49.29
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300002518724	1	47	0.0	-64.23	364.93	8.00	-56.23
O=C([O-])C1(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)CC1	REAL300002518737	0	52	0.0	-63.83	396.11	8.43	-55.40
O=C([O-])C1(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)CC1	REAL300002518737	1	52	0.0	-62.71	398.76	8.75	-53.96
CC(C)[N@@H+]1CCC(C(=O)NCC2(C(=O)[O-])CC2)C(C2=CN(C)N=C2)C1	REAL300002518739	0	53	0.0	-57.87	383.95	7.60	-50.27
CC(C)[N@H+]1CCC(C(=O)NCC2(C(=O)[O-])CC2)C(C2=CN(C)N=C2)C1	REAL300002518739	1	53	0.0	-62.02	401.47	8.43	-53.59
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC2(C(=O)[O-])CC2)C=N1	REAL300002518740	0	47	0.0	-67.18	359.45	6.80	-60.38
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC2(C(=O)[O-])CC2)C=N1	REAL300002518740	1	47	0.0	-62.90	359.44	6.81	-56.09
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC3(C(=O)[O-])CC3)=C2)CC1	REAL300002518743	0	49	0.0	-65.75	379.86	7.33	-58.42
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3(C(=O)[O-])CC3)C=C2)CC1	REAL300002518744	0	49	0.0	-68.57	379.84	7.34	-61.23
CN1CC[NH+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CC3)C=C2)CC1	REAL300002518744	1	49	0.0	-67.88	379.32	7.22	-60.66
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300002518745	0	50	0.0	-68.42	386.23	9.03	-59.39
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CC1	REAL300002518779	0	51	0.0	-70.73	394.48	7.08	-63.65
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300002518781	0	47	0.0	-53.35	358.00	9.81	-43.54
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300002518781	1	47	0.0	-55.30	364.16	9.61	-45.69
O=C([O-])C1(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300002518824	0	45	0.0	-53.35	356.10	5.84	-47.51
O=C([O-])C1(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300002518824	1	45	0.0	-52.24	356.40	5.88	-46.36
C[NH+](C)CC1=C(C(=O)NCC2(C(=O)[O-])CC2)OC2=CC=CC=C21	REAL300002518827	0	43	0.0	-59.90	348.42	8.27	-51.63
CC[NH+](CC)C(C(=O)NCC1(C(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300002518829	0	49	0.0	-51.86	383.49	9.70	-42.16
CC(C)C(C(=O)NCC1(C(=O)[O-])CC1)[NH+]1CC(C)OC(C)C1	REAL300002518852	1	50	0.0	-42.25	358.57	6.70	-35.55
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3(C(=O)[O-])CC3)=CC=C1N2	REAL300002518870	1	45	0.0	-74.59	356.04	8.36	-66.23
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3(C(=O)[O-])CC3)=CC=C1N2	REAL300002518870	1	45	0.0	-74.36	356.25	8.32	-66.04
CC1=CC=C(N2CCC(C(=O)NCC3(C(=O)[O-])CC3)CC2)[NH+]=C1	REAL300002518910	1	46	0.0	-56.69	357.12	7.51	-49.18
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3(C(=O)[O-])CC3)C=C2)CC1	REAL300002518913	0	52	0.0	-68.82	389.26	8.27	-60.55
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1(C(=O)[O-])CC1	REAL300002518941	0	47	0.0	-58.01	364.23	9.42	-48.59
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1(C(=O)[O-])CC1	REAL300002518941	1	47	0.0	-57.59	364.48	9.38	-48.21
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300002518954	0	48	0.0	-68.85	385.20	8.78	-60.07
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300002518966	0	44	0.0	-61.25	349.23	8.11	-53.14
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2(C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300002518984	0	46	0.0	-54.50	357.00	7.59	-46.91
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2(C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300002518984	1	46	0.0	-52.47	356.30	7.70	-44.77
O=C([O-])C1(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300002519128	0	48	0.0	-56.01	372.06	9.90	-46.11
O=C([O-])C1(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300002519128	1	48	0.0	-57.36	373.22	9.90	-47.46
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300002519154	1	47	0.0	-51.99	358.81	9.49	-42.50
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300002519154	1	47	0.0	-47.03	358.66	9.48	-37.55
C[NH+](C)CCOC1=CC=C(C(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300002519470	0	44	0.0	-69.84	351.02	7.69	-62.15
O=C([O-])C1(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300002519514	0	50	0.0	-61.75	382.83	10.36	-51.39
CC1C[N@H+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CC3)C=C2)CCO1	REAL300002519516	1	48	0.0	-69.09	368.60	8.08	-61.01
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CC3)C=C2)CCO1	REAL300002519516	1	48	0.0	-69.22	368.65	8.08	-61.14
CC(C)(C)[N@@H+]1CC[C@H](C(=O)NCC2(C(=O)[O-])CC2)[C@@H](C2=CC=C(F)C=C2F)C1	REAL300002519554	0	56	0.0	-59.31	418.94	10.88	-48.43
CC(C)(C)[N@H+]1CC[C@H](C(=O)NCC2(C(=O)[O-])CC2)[C@@H](C2=CC=C(F)C=C2F)C1	REAL300002519554	1	56	0.0	-59.31	418.94	10.88	-48.43
CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300002520708	0	49	0.0	-67.89	370.20	9.48	-58.41
CC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002521420	0	46	0.0	-64.39	350.91	8.68	-55.71
CC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002521420	1	46	0.0	-65.15	352.65	8.69	-56.46
CC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C(C)C(=O)[O-]	REAL300002522024	1	46	0.0	-67.80	367.64	9.19	-58.61
CC(NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C(C)C(=O)[O-]	REAL300002522024	1	46	0.0	-65.43	361.02	8.60	-56.83
CC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002522077	0	49	0.0	-63.92	370.12	9.13	-54.79
CC1=NC(C[NH+]2CCC(C(=O)NC(C)C(C)C(=O)[O-])CC2)=CS1	REAL300002522120	1	48	0.0	-76.21	374.14	6.96	-69.25
CC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300002522163	0	52	0.0	-72.12	402.82	8.99	-63.13
CC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(C)C(=O)[O-]	REAL300002522171	0	52	0.0	-78.05	408.76	11.38	-66.67
CC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(C)C(=O)[O-]	REAL300002522171	1	52	0.0	-75.78	405.87	11.32	-64.46
CC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300002522172	0	52	0.0	-64.69	384.75	9.88	-54.81
CC(NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300002522207	0	49	0.0	-63.64	384.55	9.55	-54.09
CC(NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300002522207	1	49	0.0	-64.84	385.25	9.76	-55.08
CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(C)C(=O)[O-]	REAL300002522243	1	49	0.0	-66.37	362.03	9.01	-57.36
CC(NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(C)C(=O)[O-]	REAL300002522243	1	49	0.0	-65.95	376.03	9.45	-56.50
CC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(C)C(=O)[O-]	REAL300002522244	1	46	0.0	-69.80	358.27	8.76	-61.04
CC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(C)C(=O)[O-]	REAL300002522244	1	46	0.0	-67.68	353.06	8.23	-59.45
CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(C)C(=O)[O-]	REAL300002522284	0	42	0.0	-74.63	340.15	6.88	-67.75
CC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(C)C(=O)[O-]	REAL300002522289	0	52	0.0	-77.54	404.28	9.00	-68.54
CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(C)C(=O)[O-]	REAL300002522312	0	50	0.0	-66.25	351.75	6.12	-60.13
CC[N@H+](CC1=CC=C(C(=O)NC(C)C(C)C(=O)[O-])C=C1)C(C)C	REAL300002522327	0	51	0.0	-72.40	367.67	9.05	-63.35
CC[N@@H+](CC1=CC=C(C(=O)NC(C)C(C)C(=O)[O-])C=C1)C(C)C	REAL300002522327	1	51	0.0	-76.09	364.05	8.67	-67.42
CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300002522347	0	46	0.0	-69.19	354.19	8.62	-60.57
CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300002522347	1	46	0.0	-69.62	356.00	8.73	-60.89
CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(C)C(=O)[O-]	REAL300002522348	0	47	0.0	-65.96	358.08	8.09	-57.87
CC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(C)C(=O)[O-]	REAL300002522366	1	51	0.0	-67.89	379.78	7.26	-60.63
CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(C)C(=O)[O-]	REAL300002522367	0	50	0.0	-60.74	350.95	6.00	-54.74
CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300002522375	0	52	0.0	-74.03	397.54	10.36	-63.67
CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300002522375	1	52	0.0	-64.03	383.78	10.22	-53.81
CC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(C)C(=O)[O-]	REAL300002522412	1	50	0.0	-62.11	374.29	5.89	-56.22
CC[NH+](CC)C(C(=O)NC(C)C(C)C(=O)[O-])C1=CC=CC=C1	REAL300002522417	0	48	0.0	-62.03	344.31	8.30	-53.73
CC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(C)C(=O)[O-]	REAL300002522418	1	42	0.0	-66.98	345.30	8.32	-58.66
CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(C)C(=O)[O-]	REAL300002522430	0	46	0.0	-78.20	347.69	8.55	-69.65
CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(C)C(=O)[O-]	REAL300002522435	0	49	0.0	-71.46	370.72	9.58	-61.88
CCN1CCC([NH+]2CCC(C(=O)NC(C)C(C)C(=O)[O-])CC2)CC1	REAL300002522441	0	57	0.0	-65.97	400.05	6.96	-59.01
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300002522443	0	59	0.0	-73.52	451.94	12.99	-60.53
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300002522443	1	59	0.0	-76.60	454.79	12.94	-63.66
CC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300002522447	1	53	0.0	-81.06	403.98	8.61	-72.45
CC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300002522457	1	50	0.0	-70.33	381.81	8.68	-61.65
CC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300002522457	1	50	0.0	-77.73	379.94	8.49	-69.24
CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002522472	0	49	0.0	-63.83	372.58	9.47	-54.36
CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002522472	1	49	0.0	-61.97	365.00	9.10	-52.87
CC1=C(C(=O)NC(C)C(C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002522473	1	40	0.0	-75.05	323.39	6.07	-68.98
CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(C)C(=O)[O-]	REAL300002522480	0	49	0.0	-78.80	365.02	9.28	-69.52
CC(NC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002522490	0	59	0.0	-70.81	444.11	12.48	-58.33
CC(NC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002522490	1	59	0.0	-64.24	444.05	12.28	-51.96
CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300002522495	1	47	0.0	-47.88	361.23	8.07	-39.81
CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(C)C(=O)[O-]	REAL300002522495	1	47	0.0	-71.81	358.05	8.10	-63.71
CC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300002522499	0	56	0.0	-60.70	402.61	10.51	-50.19
CC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(C)C(=O)[O-]	REAL300002522499	1	56	0.0	-63.61	410.75	10.80	-52.81
CC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300002522507	0	55	0.0	-63.79	399.23	10.30	-53.49
COCCOCC[N@H+](C)CCC(=O)NC(C)C(C)C(=O)[O-]	REAL300002522528	0	49	0.0	-69.32	379.13	4.85	-64.47
COCCOCC[N@@H+](C)CCC(=O)NC(C)C(C)C(=O)[O-]	REAL300002522528	1	49	0.0	-70.53	373.78	4.59	-65.94
CC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300002522537	0	54	0.0	-75.97	400.85	8.13	-67.84
CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(C)C(=O)[O-]	REAL300002522538	1	48	0.0	-68.87	358.17	7.56	-61.31
CC(NC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(C)C(=O)[O-]	REAL300002522538	1	48	0.0	-68.43	358.11	7.56	-60.87
CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C(C)C(=O)[O-]	REAL300002522539	1	48	0.0	-68.36	352.88	7.17	-61.19
CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C(C)C(=O)[O-]	REAL300002522539	1	48	0.0	-57.66	357.83	7.33	-50.33
CC(C)[NH+]1CCN(CCCC(=O)NC(C)C(C)C(=O)[O-])CC1	REAL300002522557	0	53	0.0	-69.97	390.75	6.28	-63.69
CC(C)N1CC[NH+](CCCC(=O)NC(C)C(C)C(=O)[O-])CC1	REAL300002522557	1	53	0.0	-71.74	379.71	5.75	-65.99
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C)C(C)C(=O)[O-])CC2)=C1	REAL300002522561	0	54	0.0	-62.86	408.41	8.16	-54.70
CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300002522562	0	51	0.0	-63.03	387.01	7.49	-55.54
CC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(C)C(=O)[O-]	REAL300002522565	0	48	0.0	-70.23	355.43	7.59	-62.64
CC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(C)C(=O)[O-]	REAL300002522565	1	48	0.0	-71.19	366.98	7.57	-63.62
CC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300002522568	1	46	0.0	-65.30	346.02	8.80	-56.50
CC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300002522568	1	46	0.0	-53.90	347.28	8.67	-45.23
CC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300002522591	0	49	0.0	-75.30	371.41	9.17	-66.13
CC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300002522591	1	49	0.0	-75.74	379.35	9.60	-66.14
CC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(C)C(=O)[O-]	REAL300002522607	0	49	0.0	-63.89	381.75	9.41	-54.48
CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(C)C(=O)[O-]	REAL300002522607	1	49	0.0	-71.17	378.52	9.49	-61.68
CC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(C)C(=O)[O-]	REAL300002522608	1	45	0.0	-63.59	348.44	6.88	-56.71
CC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(C)C(=O)[O-]	REAL300002522608	1	45	0.0	-69.37	353.27	7.11	-62.26
CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(C)C(=O)[O-]	REAL300002522610	0	50	0.0	-63.21	384.74	6.91	-56.30
CC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(C)C(=O)[O-]	REAL300002522630	1	49	0.0	-80.55	363.15	7.40	-73.15
CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(C)C(=O)[O-]	REAL300002522643	0	54	0.0	-71.04	406.12	8.43	-62.61
CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(C)C(=O)[O-]	REAL300002522643	1	54	0.0	-75.89	404.13	8.15	-67.74
CC(C)[N@@H+]1CCC(C(=O)NC(C)C(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002522645	0	55	0.0	-71.49	396.28	7.68	-63.81
CC(C)[N@H+]1CCC(C(=O)NC(C)C(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002522645	1	55	0.0	-71.33	400.22	7.99	-63.34
CC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(C)C(=O)[O-]	REAL300002522646	0	49	0.0	-81.58	370.59	6.81	-74.77
CC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(C)C(=O)[O-]	REAL300002522646	1	49	0.0	-73.37	347.87	5.91	-67.46
CC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(C)C(=O)[O-]	REAL300002522649	0	51	0.0	-70.46	383.22	6.87	-63.59
CC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(C)C(=O)[O-]	REAL300002522650	0	51	0.0	-77.27	389.79	7.04	-70.23
CC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(C)C(=O)[O-]	REAL300002522650	1	51	0.0	-79.09	387.23	7.03	-72.06
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300002522651	0	52	0.0	-76.15	385.71	8.31	-67.84
CC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(C)C(=O)[O-]	REAL300002522687	0	53	0.0	-82.36	405.29	6.96	-75.40
CC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300002522689	0	49	0.0	-66.12	368.76	9.70	-56.42
CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300002522689	1	49	0.0	-65.36	361.63	9.42	-55.94
CC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300002522734	0	47	0.0	-57.08	362.07	5.64	-51.44
CC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(C)C(=O)[O-]	REAL300002522734	1	47	0.0	-68.78	362.11	5.51	-63.27
CC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(C)C(=O)[O-]	REAL300002522737	0	45	0.0	-58.88	350.26	8.07	-50.81
CC[NH+](CC)C(C(=O)NC(C)C(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300002522739	0	51	0.0	-66.79	392.81	9.53	-57.26
CC(C)C(C(=O)NC(C)C(C)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300002522762	1	52	0.0	-61.48	370.16	7.21	-54.27
CC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(C)C(=O)[O-]	REAL300002522780	1	47	0.0	-78.67	359.33	7.88	-70.79
CC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(C)C(=O)[O-]	REAL300002522780	1	47	0.0	-77.53	367.36	8.07	-69.46
CC1=CC=C(N2CCC(C(=O)NC(C)C(C)C(=O)[O-])CC2)[NH+]=C1	REAL300002522824	1	48	0.0	-68.81	365.03	7.31	-61.50
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C)C(C)C(=O)[O-])C=C2)CC1	REAL300002522827	0	54	0.0	-73.60	400.43	8.08	-65.52
CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300002522855	0	49	0.0	-71.87	367.96	8.97	-62.90
CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(C)C(=O)[O-]	REAL300002522855	1	49	0.0	-71.69	368.07	9.01	-62.68
CC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300002522869	0	50	0.0	-79.16	388.87	8.41	-70.75
CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(C)C(=O)[O-]	REAL300002522881	0	46	0.0	-73.95	356.08	7.83	-66.12
CC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(C)C(=O)[O-]	REAL300002522900	0	48	0.0	-73.04	367.85	7.52	-65.52
CC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(C)C(=O)[O-]	REAL300002522900	1	48	0.0	-46.81	361.68	7.49	-39.32
CC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(C)C(=O)[O-]	REAL300002523052	0	50	0.0	-73.24	374.43	9.48	-63.76
CC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(C)C(=O)[O-]	REAL300002523052	1	50	0.0	-72.79	376.02	9.50	-63.29
CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(C)C(=O)[O-]	REAL300002523079	1	49	0.0	-63.50	361.98	9.01	-54.49
CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(C)C(=O)[O-]	REAL300002523079	1	49	0.0	-65.20	369.52	9.36	-55.84
CC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(C)C(=O)[O-]	REAL300002523409	0	46	0.0	-73.87	362.25	7.52	-66.35
CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300002523458	0	52	0.0	-70.01	393.61	10.25	-59.76
CC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300002523460	1	50	0.0	-81.67	372.08	7.66	-74.01
CC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(C)C(=O)[O-]	REAL300002523460	1	50	0.0	-81.05	371.16	7.64	-73.41
CC(NC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(C)C(=O)[O-]	REAL300002523498	0	58	0.0	-65.09	430.17	10.67	-54.42
CC(NC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(C)C(=O)[O-]	REAL300002523498	1	58	0.0	-65.09	430.17	10.67	-54.42
CC1(C(=O)[O-])CCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002524520	0	50	0.0	-81.52	369.73	11.25	-70.27
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC3(C)C(=O)[O-])CC2)=CS1	REAL300002525750	1	49	0.0	-77.63	376.71	9.28	-68.35
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300002525795	0	53	0.0	-84.99	407.06	11.09	-73.90
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300002525800	0	53	0.0	-92.18	404.41	12.81	-79.37
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300002525800	1	53	0.0	-81.74	403.16	12.81	-68.93
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002525911	0	43	0.0	-83.71	337.45	8.32	-75.39
CC1(C(=O)[O-])CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002525929	0	51	0.0	-83.08	360.35	8.27	-74.81
CC[N@H+](CC1=CC=C(C(=O)N2CCCC2(C)C(=O)[O-])C=C1)C(C)C	REAL300002525947	0	52	0.0	-84.54	371.76	10.95	-73.59
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC2(C)C(=O)[O-])C=C1)C(C)C	REAL300002525947	1	52	0.0	-83.58	365.94	10.41	-73.17
CC1(C(=O)[O-])CCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002525962	0	47	0.0	-71.20	354.02	10.63	-60.57
CC1(C(=O)[O-])CCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002525962	1	47	0.0	-70.96	353.80	10.61	-60.35
CC1(C(=O)[O-])CCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002525963	0	48	0.0	-78.96	348.40	9.65	-69.31
CC1(C(=O)[O-])CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002525984	0	51	0.0	-71.97	349.69	8.03	-63.94
CC(C(=O)N1CCCC1(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002525987	0	46	0.0	-63.71	346.98	10.33	-53.38
CC(C(=O)N1CCCC1(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002525987	1	46	0.0	-67.16	346.46	10.26	-56.90
CC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002525993	0	53	0.0	-63.56	386.97	12.41	-51.15
CC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002525993	1	53	0.0	-76.36	392.25	12.08	-64.28
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002526028	0	47	0.0	-89.97	352.12	10.67	-79.30
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002526032	0	50	0.0	-78.14	369.29	11.07	-67.07
CCN1CCC([NH+]2CCC(C(=O)N3CCCC3(C)C(=O)[O-])CC2)CC1	REAL300002526038	0	58	0.0	-77.11	402.34	8.83	-68.28
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC3(C)C(=O)[O-])C=C2)CC(C)O1	REAL300002526044	1	54	0.0	-92.71	402.19	10.40	-82.31
CC1(C(=O)[O-])CCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002526054	1	51	0.0	-83.84	380.64	10.63	-73.21
CC1(C(=O)[O-])CCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002526054	1	51	0.0	-80.38	387.29	10.68	-69.70
CC1=C(C(=O)N2CCCC2(C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002526068	1	41	0.0	-83.85	323.92	7.59	-76.26
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002526071	0	50	0.0	-88.19	368.81	11.38	-76.81
CC1(C(=O)[O-])CCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002526081	1	43	0.0	-82.10	333.47	8.67	-73.43
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300002526082	0	46	0.0	-93.47	349.80	10.37	-83.10
CC(C(=O)N1CCCC1(C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002526093	0	56	0.0	-65.78	409.75	12.71	-53.07
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1(C)C(=O)[O-]	REAL300002526119	0	46	0.0	-65.47	352.14	10.67	-54.80
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1(C)C(=O)[O-]	REAL300002526119	1	46	0.0	-65.48	352.05	10.66	-54.82
COCCOCC[N@H+](C)CCC(=O)N1CCCC1(C)C(=O)[O-]	REAL300002526120	0	50	0.0	-71.22	381.09	6.95	-64.27
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1(C)C(=O)[O-]	REAL300002526120	1	50	0.0	-71.05	381.21	6.95	-64.10
CC1(C(=O)[O-])CCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002526126	0	55	0.0	-77.73	407.23	10.47	-67.26
CC(C)[NH+]1CCN(CCC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300002526150	0	51	0.0	-78.69	363.17	7.12	-71.57
CC(C)N1CC[NH+](CCC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300002526150	1	51	0.0	-70.28	364.59	7.30	-62.98
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300002526151	0	54	0.0	-76.19	389.78	8.31	-67.88
CC(C)N1CC[NH+](CCCC(=O)N2CCCC2(C)C(=O)[O-])CC1	REAL300002526151	1	54	0.0	-73.64	386.09	8.09	-65.55
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC3(C)C(=O)[O-])CC2)=C1	REAL300002526155	0	55	0.0	-73.56	407.20	10.35	-63.21
CC1(C(=O)[O-])CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002526156	0	52	0.0	-73.71	385.72	9.67	-64.04
CC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002526159	0	49	0.0	-64.07	356.77	9.40	-54.67
CC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002526159	1	49	0.0	-65.25	359.29	9.69	-55.56
CC(C(=O)N1CCCC1(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002526163	1	47	0.0	-64.83	349.89	10.61	-54.22
CC(C(=O)N1CCCC1(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002526163	1	47	0.0	-63.79	343.76	10.46	-53.33
CC1(C(=O)[O-])CCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002526179	0	50	0.0	-77.69	378.48	11.50	-66.19
CC1(C(=O)[O-])CCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002526179	1	50	0.0	-79.05	378.70	11.51	-67.54
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC2(C)C(=O)[O-])=NN1	REAL300002526189	1	44	0.0	-84.41	335.80	7.64	-76.77
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC2(C)C(=O)[O-])=NN1	REAL300002526189	1	44	0.0	-79.86	331.15	7.15	-72.71
CC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002526196	0	50	0.0	-69.28	380.79	11.28	-58.00
CC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002526196	1	50	0.0	-64.16	370.82	11.62	-52.54
CC1(C(=O)[O-])CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002526198	0	51	0.0	-73.20	383.46	9.08	-64.12
CC1(C(=O)[O-])CCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002526219	0	50	0.0	-70.93	353.95	10.05	-60.88
CC1(C(=O)[O-])CCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002526219	1	50	0.0	-72.56	355.98	10.05	-62.51
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC3(C)C(=O)[O-])=C2)CC1	REAL300002526235	0	52	0.0	-76.36	386.41	8.64	-67.72
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC3(C)C(=O)[O-])C=C2)CC1	REAL300002526236	0	52	0.0	-84.19	385.13	8.63	-75.56
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC3(C)C(=O)[O-])C=C2)CC1	REAL300002526236	1	52	0.0	-90.90	385.39	8.82	-82.08
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300002526237	0	53	0.0	-89.47	391.63	10.61	-78.86
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002526287	0	54	0.0	-92.57	400.55	8.68	-83.89
CC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002526289	0	50	0.0	-68.19	373.22	11.45	-56.74
CC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002526289	1	50	0.0	-69.90	369.69	11.22	-58.68
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3(C)C(=O)[O-])=CC=C1N2	REAL300002526367	1	48	0.0	-93.12	363.09	9.92	-83.20
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3(C)C(=O)[O-])=CC=C1N2	REAL300002526367	1	48	0.0	-87.30	362.00	9.65	-77.65
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2(C)C(=O)[O-])O1	REAL300002526405	0	46	0.0	-84.13	349.90	9.60	-74.53
CC1=CC=C(N2CCC(C(=O)N3CCCC3(C)C(=O)[O-])CC2)[NH+]=C1	REAL300002526407	1	49	0.0	-78.03	366.09	9.34	-68.69
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC3(C)C(=O)[O-])C=C2)CC1	REAL300002526410	0	55	0.0	-88.39	395.80	9.61	-78.78
CC1(C(=O)[O-])CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300002526417	1	38	0.0	-83.50	306.93	7.45	-76.05
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1(C)C(=O)[O-]	REAL300002526441	0	50	0.0	-70.16	368.41	11.22	-58.94
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1(C)C(=O)[O-]	REAL300002526441	1	50	0.0	-71.42	368.27	11.15	-60.27
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300002526456	0	51	0.0	-89.11	394.50	10.80	-78.31
CC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002526468	0	47	0.0	-85.66	356.17	10.09	-75.57
C[N@@H+]1CC(C(=O)N2CCCC2(C)C(=O)[O-])C(C(F)(F)F)C1	REAL300002526702	0	40	0.0	-81.25	312.13	7.85	-73.40
C[N@H+]1CC(C(=O)N2CCCC2(C)C(=O)[O-])C(C(F)(F)F)C1	REAL300002526702	1	40	0.0	-78.02	302.48	7.52	-70.50
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300002526978	0	46	0.0	-86.72	350.18	10.06	-76.66
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300002526981	0	47	0.0	-90.61	356.30	9.31	-81.30
CC1(C(=O)[O-])CCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002527039	0	53	0.0	-75.12	392.68	12.21	-62.91
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC3(C)C(=O)[O-])C=C2)CCO1	REAL300002527041	1	51	0.0	-92.12	374.63	9.69	-82.43
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC3(C)C(=O)[O-])C=C2)CCO1	REAL300002527041	1	51	0.0	-90.17	374.68	9.69	-80.48
O=C([O-])CC1=CC=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300002528419	0	50	0.0	-75.81	392.94	11.48	-64.33
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300002529192	0	47	0.0	-67.91	376.88	10.97	-56.94
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300002529192	1	47	0.0	-64.38	369.23	10.38	-54.00
O=C([O-])CC1=CC=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300002530100	0	44	0.0	-69.92	345.16	9.32	-60.60
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)CN21	REAL300002530125	1	42	0.0	-63.45	338.70	8.98	-54.47
O=C([O-])CC1=CC=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=C1	REAL300002530126	0	50	0.0	-67.12	394.59	11.35	-55.77
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)CC2)=CS1	REAL300002530198	1	49	0.0	-74.29	399.19	9.19	-65.10
CC(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300002530199	1	45	0.0	-69.84	342.27	6.05	-63.79
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300002530282	0	53	0.0	-74.14	425.61	11.00	-63.14
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300002530296	0	53	0.0	-77.77	426.41	13.32	-64.45
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300002530296	1	53	0.0	-77.29	426.42	13.33	-63.96
CC1(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002530297	0	53	0.0	-67.21	405.38	11.88	-55.33
C[NH+](C)CC1(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)CCCCC1	REAL300002530381	0	49	0.0	-69.51	353.56	9.70	-59.81
C[N@H+](CCC(=O)NC1=CC=CC(CC(=O)[O-])=C1)C1CCCCC1	REAL300002530384	0	49	0.0	-71.26	369.96	9.86	-61.40
C[N@@H+](CCC(=O)NC1=CC=CC(CC(=O)[O-])=C1)C1CCCCC1	REAL300002530384	1	49	0.0	-71.20	369.95	9.85	-61.35
O=C([O-])CC1=CC=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)=C1	REAL300002530409	1	50	0.0	-74.23	396.58	11.47	-62.76
O=C([O-])CC1=CC=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)=C1	REAL300002530409	1	50	0.0	-72.80	387.14	11.31	-61.49
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)=C1	REAL300002530410	1	47	0.0	-68.71	375.12	10.44	-58.27
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=C1	REAL300002530410	1	47	0.0	-71.05	381.41	10.96	-60.09
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C1	REAL300002530471	0	43	0.0	-73.31	359.95	8.88	-64.43
C[NH+](C)CCN1N=CC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)=C1C1=CC=CC=C1	REAL300002530476	0	53	0.0	-77.70	424.55	11.02	-66.68
O=C([O-])CC1=CC=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=C1	REAL300002530501	0	50	0.0	-63.73	363.97	10.17	-53.56
O=C([O-])CC1=CC=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=C1	REAL300002530501	1	50	0.0	-62.09	368.44	10.04	-52.05
O=C([O-])CC1=CC=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=C1	REAL300002530502	0	51	0.0	-67.07	376.29	8.39	-58.68
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300002530532	1	41	0.0	-67.68	342.52	9.16	-58.52
O=C([O-])CC1=CC=CC(NC(=O)CCCC[NH+]2CCOCC2)=C1	REAL300002530533	1	47	0.0	-74.31	369.81	7.84	-66.47
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1)C(C)C	REAL300002530535	0	52	0.0	-72.85	394.90	11.23	-61.62
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1)C(C)C	REAL300002530535	1	52	0.0	-73.13	389.44	10.93	-62.20
O=C([O-])CC1=CC=CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300002530560	0	47	0.0	-72.06	374.64	10.63	-61.43
O=C([O-])CC1=CC=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300002530560	1	47	0.0	-70.82	376.36	10.73	-60.09
O=C([O-])CC1=CC=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=C1	REAL300002530561	0	48	0.0	-77.69	369.97	9.81	-67.88
C[NH+]1CCN(C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C2=CC=CC=C2)CC1	REAL300002530589	1	52	0.0	-68.41	405.35	9.57	-58.84
O=C([O-])CC1=CC=CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=C1	REAL300002530590	0	51	0.0	-71.78	364.46	7.92	-63.86
CC(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002530593	0	46	0.0	-68.56	365.96	10.25	-58.31
CC(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002530593	1	46	0.0	-72.86	365.36	10.30	-62.56
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=C1	REAL300002530604	0	53	0.0	-73.72	414.74	12.31	-61.41
O=C([O-])CC1=CC=CC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=C1	REAL300002530604	1	53	0.0	-66.43	408.71	12.49	-53.94
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=N1	REAL300002530634	0	42	0.0	-74.40	345.47	7.88	-66.52
CCC[NH+](CCC)CCCC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300002530645	0	51	0.0	-71.05	389.13	10.19	-60.86
O=C([O-])CC1=CC=CC(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)=C1	REAL300002530646	1	51	0.0	-65.27	399.76	8.20	-57.07
CC[N@H+](C)C(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)C1=CC=CC=C1	REAL300002530647	1	46	0.0	-63.65	364.00	10.38	-53.27
CC[N@@H+](C)C(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)C1=CC=CC=C1	REAL300002530647	1	46	0.0	-71.22	359.68	10.18	-61.04
CC[NH+](CC)C(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)C1=CC=CC=C1	REAL300002530652	0	49	0.0	-71.83	370.17	10.51	-61.32
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300002530658	1	41	0.0	-67.17	336.94	9.00	-58.17
C[NH+](C)C(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)C1=CC=C(Cl)C=C1	REAL300002530660	1	43	0.0	-73.77	362.71	10.27	-63.50
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=C1	REAL300002530674	0	47	0.0	-85.37	374.22	10.91	-74.46
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=C1	REAL300002530681	0	50	0.0	-76.29	390.97	11.60	-64.69
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)CC2)CC1	REAL300002530688	0	58	0.0	-72.68	425.61	9.06	-63.62
CC1C[NH+](CC2=CC=C(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)C=C2)CC(C)O1	REAL300002530695	1	54	0.0	-79.24	424.54	10.62	-68.62
O=C([O-])CC1=CC=CC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300002530705	1	51	0.0	-79.60	399.10	10.68	-68.92
O=C([O-])CC1=CC=CC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300002530705	1	51	0.0	-77.66	405.59	10.72	-66.94
O=C([O-])CC1=CC=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300002530719	0	50	0.0	-65.40	380.45	11.23	-54.17
O=C([O-])CC1=CC=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300002530719	1	50	0.0	-63.13	389.64	11.42	-51.71
CC1=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002530721	1	41	0.0	-78.22	347.09	8.16	-70.06
O=C([O-])CC1=CC=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=C1	REAL300002530729	0	50	0.0	-76.36	391.26	11.59	-64.77
O=C([O-])CC1=CC=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=C1	REAL300002530741	1	43	0.0	-81.75	356.03	8.44	-73.31
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300002530742	0	46	0.0	-78.60	372.19	10.57	-68.03
O=C([O-])CC1=CC=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300002530753	1	48	0.0	-75.20	385.94	10.19	-65.01
O=C([O-])CC1=CC=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300002530753	1	48	0.0	-75.91	385.34	10.20	-65.71
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300002530760	0	57	0.0	-66.20	435.74	12.99	-53.21
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300002530760	1	57	0.0	-65.66	428.30	12.71	-52.95
CC(C(=O)NC1=CC=CC(CC(=O)[O-])=C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002530767	0	56	0.0	-67.84	429.70	12.75	-55.09
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300002530810	0	46	0.0	-72.59	370.69	10.68	-61.91
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300002530810	1	46	0.0	-74.69	370.40	10.70	-63.99
COCCOCC[N@H+](C)CCC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300002530811	0	50	0.0	-71.26	399.45	6.87	-64.39
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=CC(CC(=O)[O-])=C1	REAL300002530811	1	50	0.0	-72.34	399.73	6.88	-65.46
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O=C([O-])CC1=CC=CC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300002532456	0	53	0.0	-72.96	411.25	12.19	-60.77
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)C=C2)CCO1	REAL300002532458	1	51	0.0	-78.64	396.77	9.92	-68.72
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=CC(CC(=O)[O-])=C3)C=C2)CCO1	REAL300002532458	1	51	0.0	-78.79	396.82	9.92	-68.87
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300002532496	0	46	0.0	-60.96	344.10	8.94	-52.02
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C1	REAL300002532558	0	49	0.0	-64.13	363.54	10.15	-53.98
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C1	REAL300002532558	1	49	0.0	-64.13	363.54	10.15	-53.98
CN(C)CC1=CC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)O1	REAL300002532563	0	40	0.0	-74.24	336.12	8.07	-66.17
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(CC(=O)[O-])=C2)O1	REAL300002532563	1	40	0.0	-74.24	336.12	8.07	-66.17
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C1	REAL300002532568	0	49	0.0	-80.29	361.29	9.39	-70.90
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(CC(=O)[O-])=C2)C1	REAL300002532568	1	49	0.0	-80.29	361.29	9.39	-70.90
O=C([O-])CC1=CC=CC(NC(=O)C23CC(C2)CN3C2CC2)=C1	REAL300002532571	0	42	0.0	-66.60	328.32	8.89	-57.71
O=C([O-])CC1=CC=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300002532571	1	42	0.0	-68.28	328.56	9.39	-58.89
O=C([O-])CC1=CC=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=C1	REAL300002532571	1	42	0.0	-68.28	328.56	9.39	-58.89
COCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002533729	0	47	0.0	-74.78	368.96	7.35	-67.43
COCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002534450	0	44	0.0	-59.69	346.04	6.25	-53.44
COCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002534450	1	44	0.0	-59.62	346.09	6.24	-53.38
COCC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300002535124	0	47	0.0	-65.65	372.03	7.29	-58.36
COCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300002535170	1	46	0.0	-74.41	376.69	5.16	-69.25
COCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002535214	0	50	0.0	-79.14	402.21	6.92	-72.22
COCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002535222	0	50	0.0	-80.46	402.66	9.22	-71.24
COCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002535222	1	50	0.0	-79.35	403.15	9.22	-70.13
COCC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002535223	0	50	0.0	-56.83	382.03	7.77	-49.06
COCC(NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002535259	0	47	0.0	-58.13	383.59	7.44	-50.69
COCC(NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002535259	1	47	0.0	-57.89	384.88	7.69	-50.20
COCC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002535296	1	44	0.0	-62.60	359.97	6.90	-55.70
COCC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002535296	1	44	0.0	-63.99	357.43	6.74	-57.25
COCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002535336	0	40	0.0	-80.35	337.44	4.77	-75.58
COCC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300002535341	0	50	0.0	-82.60	401.43	6.92	-75.68
COCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002535364	0	48	0.0	-78.32	360.00	4.40	-73.92
CC[N@H+](CC1=CC=C(C(=O)NC(COC)C(=O)[O-])C=C1)C(C)C	REAL300002535379	0	49	0.0	-78.63	374.97	7.23	-71.40
CC[N@@H+](CC1=CC=C(C(=O)NC(COC)C(=O)[O-])C=C1)C(C)C	REAL300002535379	1	49	0.0	-78.27	365.29	6.82	-71.45
COCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002535399	0	44	0.0	-67.32	351.71	6.57	-60.75
COCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002535399	1	44	0.0	-66.43	351.30	6.55	-59.88
COCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002535400	0	45	0.0	-73.77	348.10	5.76	-68.01
COCC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300002535418	1	49	0.0	-66.04	381.68	5.43	-60.61
COCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002535419	0	48	0.0	-68.80	345.46	4.07	-64.73
COCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002535428	0	50	0.0	-71.79	391.79	8.22	-63.57
COCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002535428	1	50	0.0	-57.15	383.76	8.36	-48.79
COCC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300002535465	1	48	0.0	-60.49	376.19	4.07	-56.42
CC[NH+](CC)C(C(=O)NC(COC)C(=O)[O-])C1=CC=CC=C1	REAL300002535470	0	46	0.0	-61.89	346.99	6.46	-55.43
COCC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300002535471	1	40	0.0	-62.37	339.54	6.18	-56.19
COCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002535484	0	44	0.0	-81.14	349.88	6.72	-74.42
COCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002535489	0	47	0.0	-74.92	368.00	7.47	-67.45
CCN1CCC([NH+]2CCC(C(=O)NC(COC)C(=O)[O-])CC2)CC1	REAL300002535495	0	55	0.0	-71.20	403.15	5.07	-66.13
COCC(NC(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300002535497	0	57	0.0	-78.64	450.34	10.62	-68.02
COCC(NC(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300002535497	1	57	0.0	-67.05	451.99	10.87	-56.18
COCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300002535501	1	51	0.0	-85.85	401.27	6.51	-79.34
COCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002535512	1	48	0.0	-79.17	375.69	6.65	-72.52
COCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002535512	1	48	0.0	-75.49	382.13	6.66	-68.83
COCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002535527	0	47	0.0	-54.59	366.96	7.28	-47.31
COCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002535527	1	47	0.0	-54.95	357.34	7.15	-47.80
COCC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002535528	1	38	0.0	-80.84	324.04	4.01	-76.83
COCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002535535	0	47	0.0	-81.97	367.20	7.45	-74.52
COCC(NC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300002535545	0	57	0.0	-68.66	437.77	10.14	-58.52
COCC(NC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300002535545	1	57	0.0	-70.47	443.17	10.17	-60.30
COCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002535551	1	45	0.0	-73.03	354.75	6.00	-67.03
COCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002535551	1	45	0.0	-73.16	355.21	6.03	-67.13
COCC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300002535555	0	54	0.0	-64.54	405.15	8.72	-55.82
COCC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300002535555	1	54	0.0	-67.10	412.33	8.99	-58.11
COCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002535563	0	53	0.0	-57.12	401.00	8.52	-48.60
COCCOCC[N@H+](C)CCC(=O)NC(COC)C(=O)[O-]	REAL300002535587	0	47	0.0	-66.33	376.42	2.73	-63.60
COCCOCC[N@@H+](C)CCC(=O)NC(COC)C(=O)[O-]	REAL300002535587	1	47	0.0	-66.49	375.98	2.76	-63.73
COCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002535596	0	52	0.0	-73.41	402.10	6.27	-67.14
COCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002535616	0	48	0.0	-72.10	363.50	3.34	-68.76
COCC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002535616	1	48	0.0	-65.60	359.46	3.10	-62.50
COCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002535617	0	51	0.0	-71.70	384.64	4.11	-67.59
COCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002535617	1	51	0.0	-69.98	381.45	3.89	-66.09
COCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300002535621	0	52	0.0	-69.35	402.00	6.14	-63.21
COCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002535622	0	49	0.0	-68.93	380.60	5.47	-63.46
COCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002535625	0	46	0.0	-69.48	364.34	5.55	-63.93
COCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002535625	1	46	0.0	-70.45	364.26	5.46	-64.99
COCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002535628	1	44	0.0	-60.59	343.32	6.69	-53.90
COCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002535628	1	44	0.0	-60.61	343.32	6.68	-53.93
COCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002535651	0	47	0.0	-73.11	370.13	7.30	-65.81
COCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002535651	1	47	0.0	-73.78	371.23	7.29	-66.49
COCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002535669	0	47	0.0	-66.97	368.77	7.61	-59.36
COCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002535669	1	47	0.0	-70.58	375.80	7.38	-63.20
COCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002535672	0	48	0.0	-69.34	378.81	4.87	-64.47
COCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002535692	1	47	0.0	-80.49	365.82	5.56	-74.93
COCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002535706	0	52	0.0	-73.92	402.43	6.16	-67.76
COCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002535706	1	52	0.0	-72.20	402.24	6.17	-66.03
COCC(NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002535709	0	53	0.0	-73.83	397.69	5.89	-67.94
COCC(NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002535709	1	53	0.0	-60.70	390.53	5.40	-55.30
COCC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002535710	0	47	0.0	-83.35	372.29	4.95	-78.40
COCC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002535710	1	47	0.0	-76.55	349.71	4.06	-72.49
COCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300002535713	0	49	0.0	-77.02	385.12	5.05	-71.97
COCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002535714	0	49	0.0	-79.40	383.69	4.88	-74.52
COCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300002535714	1	49	0.0	-82.57	384.03	4.94	-77.63
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(COC)C(=O)[O-])C=C1	REAL300002535715	0	50	0.0	-81.00	390.94	6.77	-74.23
COCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002535752	0	51	0.0	-85.85	399.67	4.79	-81.06
COCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002535754	0	47	0.0	-64.76	369.29	7.35	-57.41
COCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002535754	1	47	0.0	-65.23	369.35	7.31	-57.92
COCC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002535800	0	45	0.0	-62.70	362.15	3.58	-59.12
COCC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002535800	1	45	0.0	-62.75	361.12	3.62	-59.13
COCC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300002535803	0	43	0.0	-57.56	353.61	5.97	-51.59
CC[NH+](CC)C(C(=O)NC(COC)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300002535805	0	49	0.0	-62.96	388.69	7.39	-55.57
COCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002535847	1	45	0.0	-82.95	360.74	6.07	-76.88
COCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002535847	1	45	0.0	-82.88	361.30	6.08	-76.80
COCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300002535892	1	46	0.0	-72.02	362.32	5.20	-66.82
COCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300002535895	0	52	0.0	-82.33	394.31	6.04	-76.29
COCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002535923	0	47	0.0	-69.26	367.07	7.04	-62.22
COCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002535923	1	47	0.0	-75.64	372.87	7.15	-68.49
COCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002535937	0	48	0.0	-83.46	390.63	6.63	-76.83
COCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002535950	0	44	0.0	-76.16	352.87	5.73	-70.43
COCC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002535971	0	46	0.0	-72.17	361.80	5.32	-66.85
COCC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002535971	1	46	0.0	-54.21	361.41	5.40	-48.81
COCC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002536127	0	48	0.0	-75.90	376.70	7.63	-68.27
COCC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002536127	1	48	0.0	-77.38	378.04	7.66	-69.72
COCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002536495	0	44	0.0	-82.75	356.23	5.42	-77.33
COCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002536545	0	50	0.0	-67.37	387.50	8.08	-59.29
COCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002536547	1	48	0.0	-85.08	373.66	5.84	-79.24
COCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002536547	1	48	0.0	-83.85	373.36	5.81	-78.04
COCC(NC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300002536586	0	56	0.0	-76.67	424.21	8.59	-68.08
COCC(NC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300002536586	1	56	0.0	-76.67	424.21	8.59	-68.08
O=C([O-])C(CC1CCCCC1)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002537848	0	59	0.0	-75.16	437.84	12.31	-62.85
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300002538549	0	56	0.0	-53.26	414.48	11.24	-42.02
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300002538549	1	56	0.0	-59.91	420.45	11.81	-48.10
O=C([O-])C(CC1CCCCC1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300002539481	0	53	0.0	-70.90	389.77	10.20	-60.70
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300002539511	0	50	0.0	-64.16	364.62	8.88	-55.28
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300002539511	1	50	0.0	-62.70	363.91	8.89	-53.81
CC1=[NH+]C=C2CCC(C(=O)NC(CC3CCCCC3)C(=O)[O-])CN21	REAL300002539517	1	51	0.0	-62.29	384.38	9.80	-52.49
O=C([O-])C(CC1CCCCC1)NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300002539518	0	59	0.0	-64.36	438.13	12.38	-51.98
CC1=NC(C[NH+]2CCC(C(=O)NC(CC3CCCCC3)C(=O)[O-])CC2)=CS1	REAL300002539596	1	58	0.0	-74.94	445.26	10.07	-64.87
CC(C(=O)NC(CC1CCCCC1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300002539597	1	54	0.0	-70.41	387.70	6.90	-63.51
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300002539683	0	62	0.0	-77.93	470.52	11.93	-66.00
CC1(C(=O)NC(CC2CCCCC2)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300002539696	0	62	0.0	-72.62	450.55	12.74	-59.88
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002539753	0	44	0.0	-69.37	346.72	10.68	-58.69
C[NH+](C)CC1(C(=O)NC(CC2CCCCC2)C(=O)[O-])CCCCC1	REAL300002539785	0	58	0.0	-65.89	388.21	11.40	-54.49
C[N@H+](CCC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CCCCC1	REAL300002539790	0	58	0.0	-66.13	415.22	10.69	-55.44
C[N@@H+](CCC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CCCCC1	REAL300002539790	1	58	0.0	-65.53	414.93	10.74	-54.79
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002539811	1	59	0.0	-54.92	440.94	12.36	-42.56
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002539811	1	59	0.0	-63.47	440.98	12.34	-51.13
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002539812	1	56	0.0	-65.47	428.23	11.94	-53.53
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002539812	1	56	0.0	-53.58	420.15	11.34	-42.24
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002539866	0	52	0.0	-79.98	405.98	9.73	-70.25
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300002539891	0	59	0.0	-56.81	407.23	10.99	-45.82
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300002539891	1	59	0.0	-56.62	409.18	11.06	-45.56
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002539892	0	60	0.0	-70.73	421.70	9.27	-61.46
CC1=[NH+]C=CN1CCCC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002539923	1	50	0.0	-67.54	387.72	9.98	-57.56
O=C(CCCC[NH+]1CCOCC1)NC(CC1CCCCC1)C(=O)[O-]	REAL300002539924	1	56	0.0	-74.66	415.07	8.68	-65.98
CC[N@H+](CC1=CC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1)C(C)C	REAL300002539926	0	61	0.0	-80.74	435.40	11.81	-68.93
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1)C(C)C	REAL300002539926	1	61	0.0	-78.86	433.38	11.80	-67.06
O=C([O-])C(CC1CCCCC1)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002539954	0	56	0.0	-65.02	419.12	11.50	-53.52
O=C([O-])C(CC1CCCCC1)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002539954	1	56	0.0	-67.55	420.39	11.50	-56.05
O=C([O-])C(CC1CCCCC1)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002539955	0	57	0.0	-78.63	416.53	10.71	-67.92
C[NH+]1CCN(C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002539983	1	61	0.0	-64.16	449.96	10.45	-53.71
O=C(CC1([NH+]2CCOCC2)CCCC1)NC(CC1CCCCC1)C(=O)[O-]	REAL300002539984	0	60	0.0	-67.89	413.54	8.93	-58.96
CCC(C(=O)NC(CC1CCCCC1)C(=O)[O-])[NH+](CC)CC	REAL300002539988	0	54	0.0	-55.04	378.44	9.27	-45.77
CC(C(=O)NC(CC1CCCCC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002539990	0	55	0.0	-61.94	410.83	11.12	-50.82
CC(C(=O)NC(CC1CCCCC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002539990	1	55	0.0	-58.53	411.71	11.04	-47.49
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002540000	0	62	0.0	-62.07	454.15	13.35	-48.72
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002540000	1	62	0.0	-57.65	454.16	13.34	-44.31
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C=N1	REAL300002540026	0	51	0.0	-76.18	390.50	8.78	-67.40
CCC[NH+](CCC)CCCC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540036	0	60	0.0	-69.59	434.98	11.02	-58.57
O=C([O-])C(CC1CCCCC1)NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300002540037	1	60	0.0	-52.74	444.64	9.05	-43.69
CC[N@H+](C)C(C(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300002540038	0	55	0.0	-52.39	398.79	10.87	-41.52
CC[N@@H+](C)C(C(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300002540038	1	55	0.0	-51.46	409.21	11.22	-40.24
CC[NH+](CC)C(C(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300002540043	0	58	0.0	-52.51	411.03	11.24	-41.27
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540051	1	50	0.0	-58.02	382.40	9.81	-48.21
C[NH+](C)C(C(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002540055	1	52	0.0	-54.49	407.97	11.15	-43.34
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002540068	0	56	0.0	-82.26	419.47	11.78	-70.48
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002540075	0	59	0.0	-73.52	436.52	12.42	-61.10
CCN1CCC([NH+]2CCC(C(=O)NC(CC3CCCCC3)C(=O)[O-])CC2)CC1	REAL300002540081	0	67	0.0	-69.68	467.68	9.80	-59.88
O=C([O-])C(CC1CCCCC1)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002540101	1	60	0.0	-79.50	444.34	11.56	-67.94
O=C([O-])C(CC1CCCCC1)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002540101	1	60	0.0	-78.46	450.89	11.67	-66.79
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300002540115	0	59	0.0	-53.27	435.18	12.29	-40.98
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300002540115	1	59	0.0	-54.14	425.14	12.10	-42.04
CC1=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002540117	1	50	0.0	-79.99	392.51	8.97	-71.02
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002540125	0	59	0.0	-81.18	435.33	12.42	-68.76
O=C([O-])C(CC1CCCCC1)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002540138	1	52	0.0	-77.53	399.96	9.25	-68.28
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300002540139	0	55	0.0	-86.47	417.39	11.40	-75.07
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540151	1	48	0.0	-57.58	365.23	8.20	-49.38
O=C([O-])C(CC1CCCCC1)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002540152	1	57	0.0	-74.54	418.67	10.78	-63.76
O=C([O-])C(CC1CCCCC1)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002540152	1	57	0.0	-78.54	430.06	11.14	-67.40
C[N@H+](CC(=O)NC(CC1CCCCC1)C(=O)[O-])CC(C)(C)C	REAL300002540214	0	54	0.0	-57.70	385.55	9.61	-48.09
C[N@@H+](CC(=O)NC(CC1CCCCC1)C(=O)[O-])CC(C)(C)C	REAL300002540214	1	54	0.0	-58.38	386.06	9.69	-48.69
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540216	0	55	0.0	-62.43	415.89	11.53	-50.90
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540216	1	55	0.0	-61.41	415.05	11.57	-49.84
COCCOCC[N@H+](C)CCC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540217	0	59	0.0	-66.41	444.68	7.75	-58.66
COCCOCC[N@@H+](C)CCC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540217	1	59	0.0	-66.72	444.94	7.70	-59.02
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300002540221	0	53	0.0	-67.24	384.01	7.58	-59.66
C[N@H+]1CCCC(O)(CC(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300002540221	1	53	0.0	-64.06	386.82	7.49	-56.57
CCCCCC[N@H+](C)CC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540241	0	57	0.0	-60.75	420.47	10.84	-49.91
CCCCCC[N@@H+](C)CC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540241	1	57	0.0	-59.65	419.64	10.88	-48.77
O=C([O-])C(CC1CCCCC1)NC(=O)C12CCC[NH+]1CCC2	REAL300002540251	0	50	0.0	-66.37	359.18	8.73	-57.64
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300002540259	1	44	0.0	-77.05	347.24	10.61	-66.44
C[N@H+](CC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CCSC1	REAL300002540276	0	50	0.0	-63.07	376.15	9.34	-53.73
C[N@@H+](CC(=O)NC(CC1CCCCC1)C(=O)[O-])C1CCSC1	REAL300002540276	1	50	0.0	-62.11	375.85	9.37	-52.74
CC(C)[NH+]1CCN(CCC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300002540291	0	60	0.0	-71.80	432.10	8.24	-63.56
CC(C)N1CC[NH+](CCC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300002540291	1	60	0.0	-65.35	428.47	8.05	-57.30
CC(C)[NH+]1CCN(CCCC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300002540292	0	63	0.0	-70.84	453.36	9.11	-61.73
CC(C)N1CC[NH+](CCCC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300002540292	1	63	0.0	-69.77	449.96	8.85	-60.92
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300002540293	0	53	0.0	-52.43	380.26	9.95	-42.48
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300002540293	1	53	0.0	-52.76	381.24	9.99	-42.77
C[NH+](C)CCN1C=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C=N1	REAL300002540295	0	52	0.0	-78.75	400.87	8.64	-70.11
O=C([O-])C(CC1CCCCC1)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002540304	0	61	0.0	-68.69	449.31	10.47	-58.22
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002540307	0	58	0.0	-69.54	432.75	10.40	-59.14
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002540307	1	58	0.0	-69.59	432.75	10.42	-59.17
CC(C(=O)NC(CC1CCCCC1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002540312	1	56	0.0	-57.79	411.37	11.63	-46.16
CC(C(=O)NC(CC1CCCCC1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002540312	1	56	0.0	-58.72	412.26	11.60	-47.12
O=C([O-])C(CC1CCCCC1)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002540336	0	59	0.0	-73.86	441.84	12.32	-61.54
O=C([O-])C(CC1CCCCC1)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002540336	1	59	0.0	-73.32	441.98	12.39	-60.93
C[NH+](C)CCN1C=CC(C(=O)NC(CC2CCCCC2)C(=O)[O-])=N1	REAL300002540351	0	52	0.0	-84.96	400.61	8.63	-76.33
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540352	0	52	0.0	-57.60	396.60	8.55	-49.05
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540358	1	53	0.0	-60.83	402.47	10.35	-50.48
CC[C@@H]1[C@@H](C(=O)NC(CC2CCCCC2)C(=O)[O-])CC[N@@H+]1C	REAL300002540361	0	52	0.0	-66.63	373.60	8.78	-57.85
CC[C@@H]1[C@@H](C(=O)NC(CC2CCCCC2)C(=O)[O-])CC[N@H+]1C	REAL300002540361	1	52	0.0	-67.94	377.76	9.30	-58.64
C#CC[N@H+]1CCC[C@H]1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540365	1	48	0.0	-54.38	363.35	8.90	-45.48
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540365	1	48	0.0	-56.72	369.18	9.38	-47.34
CC1C[N@H+](C)CC(C(=O)NC(CC2CCCCC2)C(=O)[O-])O1	REAL300002540373	1	50	0.0	-70.64	368.35	8.31	-62.33
CC1C[N@@H+](C)CC(C(=O)NC(CC2CCCCC2)C(=O)[O-])O1	REAL300002540373	1	50	0.0	-79.47	368.40	8.32	-71.15
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002540379	0	59	0.0	-67.07	438.09	12.55	-54.52
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002540379	1	59	0.0	-69.85	444.32	12.35	-57.50
CC(C[NH+]1CCOCC1)C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540385	0	53	0.0	-67.26	388.06	7.80	-59.46
O=C([O-])C(CC1CCCCC1)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002540386	0	60	0.0	-69.22	447.07	9.89	-59.33
CC1CC[NH+](CC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300002540396	0	52	0.0	-60.00	379.74	9.58	-50.42
CC[N@@H+]1CCOC(C(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300002540411	1	50	0.0	-69.87	371.95	8.18	-61.69
CC[N@H+]1CCOC(C(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300002540411	1	50	0.0	-69.97	371.92	8.18	-61.79
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300002540450	1	59	0.0	-75.93	438.32	10.70	-65.23
O=C([O-])C(CC1CCCCC1)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002540451	0	59	0.0	-65.46	421.98	11.06	-54.40
O=C([O-])C(CC1CCCCC1)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002540451	1	59	0.0	-66.95	421.89	11.02	-55.93
C[N@@H+]1CCCC1CCC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540458	0	52	0.0	-67.31	380.13	9.49	-57.82
C[N@H+]1CCCC1CCC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540458	1	52	0.0	-66.81	378.07	9.18	-57.63
O=C([O-])C(CC1CCCCC1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300002540471	0	53	0.0	-69.21	373.32	9.32	-59.89
C[N@@H+]1CC(O)CC1(C)C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540475	1	50	0.0	-59.60	365.19	5.26	-54.34
C[N@H+]1CC(O)CC1(C)C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540475	1	50	0.0	-71.78	361.16	4.93	-66.85
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300002540476	0	53	0.0	-56.87	384.62	10.04	-46.83
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300002540476	1	53	0.0	-56.12	383.68	10.04	-46.08
CC(C)(C[NH+]1CCOCC1)C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540484	0	56	0.0	-66.15	397.57	8.17	-57.98
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC(CC2CCCCC2)C(=O)[O-])C=N1	REAL300002540489	0	59	0.0	-75.77	432.93	9.53	-66.24
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC(CC2CCCCC2)C(=O)[O-])C=N1	REAL300002540489	1	59	0.0	-83.16	440.51	9.97	-73.19
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC3CCCCC3)C(=O)[O-])=C2)CC1	REAL300002540494	0	61	0.0	-71.62	453.39	10.06	-61.56
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC3CCCCC3)C(=O)[O-])C=C2)CC1	REAL300002540495	0	61	0.0	-78.76	451.81	9.86	-68.90
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC3CCCCC3)C(=O)[O-])C=C2)CC1	REAL300002540495	1	61	0.0	-83.63	452.98	9.87	-73.76
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300002540496	0	62	0.0	-81.29	456.08	11.43	-69.86
CC(C)[NH+]1CCC(C(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300002540504	0	55	0.0	-71.38	391.75	9.75	-61.63
O=C([O-])C(CC1CCCCC1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300002540591	0	50	0.0	-77.89	357.61	8.42	-69.47
O=C([O-])C(CC1CCCCC1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300002540591	1	50	0.0	-72.63	357.63	8.44	-64.19
CC1CCC(C)[NH+]1CC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540644	0	52	0.0	-56.79	373.90	9.10	-47.69
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300002540645	0	52	0.0	-74.24	394.71	10.64	-63.60
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002540646	0	59	0.0	-61.60	431.39	12.54	-49.06
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002540646	1	59	0.0	-63.74	437.02	12.31	-51.43
C#CC[NH+]1CCC(C(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300002540716	0	51	0.0	-72.13	385.21	9.94	-62.19
CCC[N@@H+]1CCCCC1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540718	0	55	0.0	-56.06	387.78	9.94	-46.12
CCC[N@H+]1CCCCC1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540718	1	55	0.0	-58.93	385.15	9.86	-49.07
C[NH+](C)CC1=CC=CC=C1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540719	0	52	0.0	-55.56	387.63	10.82	-44.74
CC[NH+]1CCN(CCC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300002540721	0	57	0.0	-71.51	414.86	7.70	-63.81
CCN1CC[NH+](CCC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300002540721	1	57	0.0	-65.53	415.36	7.72	-57.81
CC(C)C(C(=O)NC(CC1CCCCC1)C(=O)[O-])[NH+]1CCCCC1	REAL300002540723	0	58	0.0	-53.67	396.85	10.00	-43.67
C[NH+](C)C(C(=O)NC(CC1CCCCC1)C(=O)[O-])C1=CC=CC=C1	REAL300002540724	1	52	0.0	-60.09	391.49	10.58	-49.51
O=C([O-])C(CC1CCCCC1)NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300002540728	0	57	0.0	-61.75	430.67	8.53	-53.22
O=C([O-])C(CC1CCCCC1)NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002540728	1	57	0.0	-64.44	429.89	8.63	-55.81
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540734	1	53	0.0	-61.19	402.17	10.22	-50.97
C[NH+](C)CC1=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])OC2=CC=CC=C21	REAL300002540735	0	55	0.0	-54.95	422.09	10.93	-44.02
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300002540741	0	56	0.0	-54.49	389.07	10.31	-44.18
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300002540741	1	56	0.0	-58.36	402.06	10.52	-47.84
CC(C)C(C(=O)NC(CC1CCCCC1)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300002540771	1	62	0.0	-60.02	440.45	10.22	-49.80
CC(C(=O)NC(CC1CCCCC1)C(=O)[O-])[NH+]1CCCCCC1	REAL300002540772	0	55	0.0	-57.22	386.83	9.49	-47.73
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CCCCC3)C(=O)[O-])=CC=C1N2	REAL300002540810	1	57	0.0	-82.01	429.50	11.08	-70.93
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CCCCC3)C(=O)[O-])=CC=C1N2	REAL300002540810	1	57	0.0	-81.52	429.08	11.03	-70.49
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])O1	REAL300002540865	0	55	0.0	-74.15	417.10	10.25	-63.90
O=C([O-])C(CC1CCCCC1)NC(=O)CCCC[NH+]1CCCC1	REAL300002540866	0	55	0.0	-71.64	408.13	10.41	-61.23
CC1=CC=C(N2CCC(C(=O)NC(CC3CCCCC3)C(=O)[O-])CC2)[NH+]=C1	REAL300002540868	1	58	0.0	-70.46	430.57	10.23	-60.23
C[N@H+](CC(=O)NC(CC1CCCCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300002540869	1	52	0.0	-61.73	392.57	10.72	-51.01
C[N@@H+](CC(=O)NC(CC1CCCCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300002540869	1	52	0.0	-63.20	393.41	10.68	-52.52
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300002540891	1	47	0.0	-77.49	375.81	8.58	-68.91
C[NH+](C)CC1=CC(C(=O)NC(CC2CCCCC2)C(=O)[O-])=NO1	REAL300002540922	1	48	0.0	-79.50	374.66	8.12	-71.38
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540926	0	59	0.0	-75.49	442.14	12.09	-63.40
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540926	1	59	0.0	-69.20	432.32	12.76	-56.44
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540943	0	52	0.0	-57.72	375.44	9.29	-48.43
CC(C)[N@H+]1CCCC1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002540943	1	52	0.0	-62.29	362.32	8.98	-53.31
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300002540950	0	60	0.0	-82.39	459.30	11.55	-70.84
C[NH+]1CCC(OCC(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300002540970	0	53	0.0	-77.00	396.51	9.24	-67.76
O=C([O-])C(CC1CCCCC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002540975	0	56	0.0	-76.38	422.90	10.78	-65.60
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC(CC2CCCCC2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300002541020	0	58	0.0	-73.60	430.76	10.25	-63.35
CC(C)(C)[N@H+]1C[C@H](C(=O)NC(CC2CCCCC2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300002541020	1	58	0.0	-52.91	429.00	10.49	-42.42
CCC[N@@H+]1CCCC(C(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300002541173	0	55	0.0	-66.64	400.52	10.11	-56.53
CCC[N@H+]1CCCC(C(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300002541173	1	55	0.0	-58.92	394.24	10.32	-48.60
CC(C)C[N@@H+]1CCCC1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002541206	0	55	0.0	-58.69	401.55	10.25	-48.44
CC(C)C[N@H+]1CCCC1C(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300002541206	1	55	0.0	-58.30	400.11	10.33	-47.97
O=C([O-])C(CC1CCCCC1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300002541207	1	53	0.0	-59.84	390.34	6.34	-53.50
O=C([O-])C(CC1CCCCC1)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300002541309	0	60	0.0	-64.41	445.71	12.57	-51.84
O=C([O-])C(CC1CCCCC1)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300002541309	1	60	0.0	-78.69	446.13	12.67	-66.02
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300002541350	1	59	0.0	-59.32	441.77	12.30	-47.02
O=C([O-])C(CC1CCCCC1)NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300002541350	1	59	0.0	-54.37	431.50	12.17	-42.20
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300002541445	0	55	0.0	-63.74	395.64	9.87	-53.87
CC(C)[N@H+]1CCCC(C(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300002541445	1	55	0.0	-58.75	389.40	10.08	-48.67
C[N@@H+]1CC(C(=O)NC(CC2CCCCC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300002541446	0	49	0.0	-72.87	360.85	9.01	-63.86
C[N@H+]1CC(C(=O)NC(CC2CCCCC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300002541446	1	49	0.0	-79.74	379.88	8.85	-70.89
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2CCCCC2)C(=O)[O-])N1	REAL300002541470	1	50	0.0	-60.88	386.74	8.42	-52.46
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300002541970	0	55	0.0	-76.91	417.20	11.47	-65.44
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300002541978	0	56	0.0	-83.05	424.45	10.42	-72.63
O=C([O-])C(CC1CCCCC1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002542080	0	62	0.0	-69.78	456.51	13.03	-56.75
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC3CCCCC3)C(=O)[O-])C=C2)CCO1	REAL300002542082	1	60	0.0	-83.28	442.06	10.81	-72.47
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC3CCCCC3)C(=O)[O-])C=C2)CCO1	REAL300002542082	1	60	0.0	-83.29	442.03	10.80	-72.49
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300002542129	0	55	0.0	-71.22	389.05	9.78	-61.44
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300002542196	0	58	0.0	-55.10	407.98	11.04	-44.06
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300002542196	1	58	0.0	-55.10	407.98	11.04	-44.06
CC[N@@H+]1CCCC(C(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300002542197	0	52	0.0	-65.43	378.15	9.40	-56.03
CC[N@H+]1CCCC(C(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300002542197	1	52	0.0	-65.43	378.15	9.40	-56.03
CN(C)CC1=CC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])O1	REAL300002542203	0	49	0.0	-77.02	380.24	8.81	-68.21
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CCCCC2)C(=O)[O-])O1	REAL300002542203	1	49	0.0	-77.02	380.24	8.81	-68.21
C[N@@H+]1CCCC(C(C)(C)C(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300002542209	0	58	0.0	-75.32	399.13	9.77	-65.55
C[N@H+]1CCCC(C(C)(C)C(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300002542209	1	58	0.0	-75.32	399.13	9.77	-65.55
O=C([O-])C(CC1CCCCC1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002542212	0	51	0.0	-54.34	368.82	10.08	-44.26
O=C([O-])C(CC(F)(F)F)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002543534	0	46	0.0	-67.29	372.92	9.82	-57.47
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300002544290	0	43	0.0	-51.63	356.03	9.20	-42.43
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300002544290	1	43	0.0	-51.77	350.12	8.67	-43.10
O=C([O-])C(CC(F)(F)F)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300002545224	0	40	0.0	-63.32	320.97	7.48	-55.84
CC1=[NH+]C=C2CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])CN12	REAL300002545254	1	38	0.0	-55.41	320.46	7.39	-48.02
O=C([O-])C(CC(F)(F)F)NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300002545255	0	46	0.0	-57.68	376.10	9.73	-47.95
CC1=NC(C[NH+]2CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])CC2)=CS1	REAL300002545329	1	45	0.0	-67.16	380.65	7.63	-59.53
CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])N1CC[NH+](C)CC1	REAL300002545330	1	41	0.0	-62.02	323.30	4.39	-57.63
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300002545416	0	49	0.0	-71.77	406.19	9.38	-62.39
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300002545428	0	49	0.0	-72.80	406.38	11.69	-61.11
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300002545428	1	49	0.0	-71.62	406.98	11.73	-59.89
CC1(C(=O)NC(CC(F)(F)F)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300002545430	0	49	0.0	-49.59	384.01	10.22	-39.37
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002545489	0	31	0.0	-64.08	282.52	8.08	-56.00
C[NH+](C)CC1(C(=O)NC(CC(F)(F)F)C(=O)[O-])CCCCC1	REAL300002545519	0	45	0.0	-66.13	337.50	7.68	-58.45
C[N@H+](CCC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CCCCC1	REAL300002545523	0	45	0.0	-60.03	350.77	8.14	-51.89
C[N@@H+](CCC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CCCCC1	REAL300002545523	1	45	0.0	-59.55	350.77	8.17	-51.38
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002545546	1	46	0.0	-50.83	377.38	9.80	-41.03
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002545546	1	46	0.0	-55.92	377.40	9.77	-46.15
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002545547	1	43	0.0	-49.19	356.60	8.76	-40.43
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002545547	1	43	0.0	-58.87	364.10	9.33	-49.54
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002545603	0	39	0.0	-72.96	341.51	7.22	-65.74
C[NH+](C)CCN1N=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=C1C1=CC=CC=C1	REAL300002545608	0	49	0.0	-75.06	405.38	9.39	-65.67
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300002545632	0	46	0.0	-50.97	345.01	8.51	-42.46
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300002545632	1	46	0.0	-48.57	349.69	8.46	-40.11
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002545633	0	47	0.0	-70.19	363.83	6.91	-63.28
CC1=[NH+]C=CN1CCCC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002545665	1	37	0.0	-60.20	323.08	7.54	-52.66
O=C([O-])C(CC(F)(F)F)NC(=O)CCCC[NH+]1CCOCC1	REAL300002545666	1	43	0.0	-67.17	349.79	6.21	-60.96
CC[N@H+](CC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1)C(C)C	REAL300002545668	0	48	0.0	-71.01	378.21	9.72	-61.29
CC[N@@H+](CC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1)C(C)C	REAL300002545668	1	48	0.0	-71.05	369.02	9.29	-61.76
O=C([O-])C(CC(F)(F)F)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002545692	0	43	0.0	-60.69	355.92	8.96	-51.73
O=C([O-])C(CC(F)(F)F)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002545692	1	43	0.0	-59.70	355.51	8.96	-50.74
O=C([O-])C(CC(F)(F)F)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002545693	0	44	0.0	-66.61	351.93	8.28	-58.33
C[NH+]1CCN(C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002545721	1	48	0.0	-62.45	385.53	7.94	-54.51
O=C([O-])C(CC(F)(F)F)NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002545722	0	47	0.0	-61.23	349.67	6.46	-54.77
CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002545727	0	42	0.0	-51.67	347.11	8.61	-43.06
CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002545727	1	42	0.0	-52.45	347.14	8.56	-43.89
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002545738	0	49	0.0	-50.82	388.85	10.88	-39.94
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002545738	1	49	0.0	-64.57	396.02	10.62	-53.95
C[NH+](C)CC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300002545766	0	38	0.0	-72.43	326.29	6.59	-65.84
CCC[NH+](CCC)CCCC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002545777	0	47	0.0	-62.07	369.62	8.54	-53.53
O=C([O-])C(CC(F)(F)F)NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300002545778	1	47	0.0	-51.92	379.43	6.55	-45.37
CC[N@H+](C)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300002545779	0	42	0.0	-47.31	334.32	8.36	-38.95
CC[N@@H+](C)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300002545779	1	42	0.0	-47.48	344.87	8.71	-38.77
CC[NH+](CC)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300002545784	0	45	0.0	-53.46	348.86	8.91	-44.55
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002545790	1	37	0.0	-50.49	317.17	7.36	-43.13
C[NH+](C)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002545792	1	39	0.0	-54.62	343.51	8.65	-45.97
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002545806	0	43	0.0	-74.61	354.44	9.14	-65.47
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002545813	0	46	0.0	-67.75	372.07	9.90	-57.85
CCN1CCC([NH+]2CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])CC2)CC1	REAL300002545820	0	54	0.0	-64.32	407.22	7.50	-56.82
CC1C[NH+](CC2=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C2)CC(C)O1	REAL300002545827	1	50	0.0	-77.84	404.52	8.99	-68.85
O=C([O-])C(CC(F)(F)F)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002545838	1	47	0.0	-72.42	379.90	9.04	-63.38
O=C([O-])C(CC(F)(F)F)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002545838	1	47	0.0	-71.31	386.45	9.16	-62.15
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300002545854	0	46	0.0	-51.38	358.19	9.53	-41.85
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300002545854	1	46	0.0	-49.52	361.58	9.55	-39.97
CC1=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002545856	1	37	0.0	-73.78	328.11	6.45	-67.33
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002545864	0	46	0.0	-75.32	371.76	9.86	-65.46
O=C([O-])C(CC(F)(F)F)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002545876	1	39	0.0	-71.56	335.52	6.73	-64.83
C[NH+](C)CCC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300002545877	0	42	0.0	-79.52	353.00	8.90	-70.62
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002545888	1	35	0.0	-51.65	300.81	5.70	-45.95
O=C([O-])C(CC(F)(F)F)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002545889	1	44	0.0	-53.20	359.32	8.43	-44.77
O=C([O-])C(CC(F)(F)F)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002545889	1	44	0.0	-62.40	366.28	8.65	-53.75
CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002545903	0	52	0.0	-51.07	405.22	10.92	-40.15
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002545950	0	42	0.0	-54.90	350.66	9.06	-45.84
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002545950	1	42	0.0	-56.02	351.49	9.01	-47.01
COCCOCC[N@H+](C)CCC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002545951	0	46	0.0	-59.46	380.49	5.18	-54.28
COCCOCC[N@@H+](C)CCC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002545951	1	46	0.0	-62.01	380.54	5.19	-56.82
C[N@@H+]1CCCC(O)(CC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300002545955	0	40	0.0	-61.30	319.81	4.99	-56.31
C[N@H+]1CCCC(O)(CC(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300002545955	1	40	0.0	-62.12	310.09	4.80	-57.32
O=C([O-])C(CC(F)(F)F)NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002545965	0	51	0.0	-66.88	406.66	8.71	-58.17
CCCCCC[N@H+](C)CC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002545969	0	44	0.0	-53.50	355.84	8.39	-45.11
CCCCCC[N@@H+](C)CC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002545969	1	44	0.0	-54.26	356.08	8.32	-45.94
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300002545981	1	31	0.0	-69.98	281.96	8.14	-61.84
C[N@H+](CC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CCSC1	REAL300002545999	0	37	0.0	-56.25	312.84	6.87	-49.38
C[N@@H+](CC(=O)NC(CC(F)(F)F)C(=O)[O-])C1CCSC1	REAL300002545999	1	37	0.0	-57.08	310.86	6.84	-50.24
CC(C)[NH+]1CCN(CCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300002546014	0	47	0.0	-64.39	367.47	5.81	-58.58
CC(C)N1CC[NH+](CCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300002546014	1	47	0.0	-59.30	364.02	5.54	-53.76
CC(C)[NH+]1CCN(CCCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300002546015	0	50	0.0	-64.64	389.21	6.55	-58.09
CC(C)N1CC[NH+](CCCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300002546015	1	50	0.0	-62.78	385.52	6.33	-56.45
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300002546016	0	40	0.0	-53.07	307.87	7.08	-45.99
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC2CCC[N@H+]21	REAL300002546016	1	40	0.0	-51.06	306.09	7.12	-43.94
C[NH+](C)CCN1C=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300002546018	0	39	0.0	-72.67	335.82	6.11	-66.56
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC2)=C1	REAL300002546025	0	51	0.0	-63.02	406.56	8.57	-54.45
O=C([O-])C(CC(F)(F)F)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002546027	0	48	0.0	-61.71	384.33	7.95	-53.76
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002546030	0	45	0.0	-62.66	368.42	7.99	-54.67
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002546030	1	45	0.0	-61.27	362.11	8.19	-53.08
CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002546035	1	43	0.0	-52.87	347.14	9.20	-43.67
CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002546035	1	43	0.0	-52.14	346.56	9.17	-42.97
O=C([O-])C(CC(F)(F)F)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002546063	0	46	0.0	-66.67	377.39	9.81	-56.86
O=C([O-])C(CC(F)(F)F)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002546063	1	46	0.0	-66.44	375.31	9.74	-56.70
C[NH+](C)CCN1C=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=N1	REAL300002546078	0	39	0.0	-79.16	337.04	6.09	-73.07
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002546079	0	39	0.0	-54.79	332.00	6.04	-48.75
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002546085	1	40	0.0	-54.62	338.07	7.85	-46.77
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002546101	0	46	0.0	-61.54	373.64	10.02	-51.52
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002546101	1	46	0.0	-61.06	379.88	9.83	-51.23
CC(C[NH+]1CCOCC1)C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002546106	0	40	0.0	-59.92	323.66	5.30	-54.62
O=C([O-])C(CC(F)(F)F)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002546107	0	47	0.0	-61.36	382.05	7.37	-53.99
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300002546161	1	46	0.0	-73.03	369.88	8.00	-65.03
O=C([O-])C(CC(F)(F)F)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002546162	0	46	0.0	-55.02	357.02	8.53	-46.49
O=C([O-])C(CC(F)(F)F)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002546162	1	46	0.0	-60.36	357.68	8.45	-51.91
O=C([O-])C(CC(F)(F)F)NC(=O)C12CCC[NH+](CCC1)C2	REAL300002546181	0	40	0.0	-63.54	309.75	6.78	-56.76
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300002546185	0	40	0.0	-49.03	319.62	7.46	-41.57
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC2CCCC[N@H+]21	REAL300002546185	1	40	0.0	-49.56	319.88	7.56	-42.00
CC(C)(C[NH+]1CCOCC1)C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002546193	0	43	0.0	-50.31	331.50	5.68	-44.63
CC(C)[N@@H+]1CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002546198	0	52	0.0	-66.10	402.26	8.31	-57.79
CC(C)[N@H+]1CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002546198	1	52	0.0	-56.16	395.14	7.82	-48.34
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300002546199	0	46	0.0	-68.73	354.47	6.50	-62.23
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300002546199	1	46	0.0	-66.58	352.58	6.54	-60.04
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=C2)CC1	REAL300002546204	0	48	0.0	-68.74	388.36	7.53	-61.21
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C2)CC1	REAL300002546205	0	48	0.0	-73.05	388.25	7.30	-65.75
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C2)CC1	REAL300002546205	1	48	0.0	-75.98	388.58	7.37	-68.61
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300002546206	0	49	0.0	-74.06	395.50	9.20	-64.86
CC(C)[NH+]1CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300002546213	0	42	0.0	-61.03	327.36	7.26	-53.77
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002546330	0	50	0.0	-78.51	403.74	7.22	-71.29
C[NH+](C)CC1=CC=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300002546334	0	39	0.0	-70.38	330.51	8.07	-62.31
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002546335	0	46	0.0	-58.11	372.65	9.80	-48.31
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002546335	1	46	0.0	-58.21	373.45	9.76	-48.45
C#CC[NH+]1CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300002546402	0	38	0.0	-66.49	322.13	7.43	-59.06
CCC[N@@H+]1CCCCC1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002546404	0	42	0.0	-51.34	333.39	7.64	-43.70
CCC[N@H+]1CCCCC1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002546404	1	42	0.0	-51.94	333.63	7.56	-44.38
C[NH+](C)CC1=CC=CC=C1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002546406	0	39	0.0	-49.37	322.94	8.37	-41.00
CC[NH+]1CCN(CCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300002546408	0	44	0.0	-65.42	349.80	5.06	-60.36
CCN1CC[NH+](CCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300002546408	1	44	0.0	-57.91	350.13	5.27	-52.64
CC(C)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CCCCC1	REAL300002546410	0	45	0.0	-49.51	335.42	8.47	-41.04
C[NH+](C)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300002546411	1	39	0.0	-48.48	327.04	8.07	-40.41
O=C([O-])C(CC(F)(F)F)NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300002546415	0	44	0.0	-55.93	366.23	6.01	-49.92
O=C([O-])C(CC(F)(F)F)NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002546415	1	44	0.0	-55.86	364.87	6.10	-49.76
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002546421	1	40	0.0	-54.48	337.80	7.73	-46.75
C[NH+](C)CC1=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])OC2=CC=CC=C21	REAL300002546422	0	42	0.0	-49.88	356.84	8.47	-41.41
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300002546427	0	43	0.0	-48.98	323.99	7.81	-41.17
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300002546427	1	43	0.0	-50.13	324.28	8.02	-42.11
CC(C)C(C(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300002546455	1	49	0.0	-47.71	370.39	7.27	-40.44
CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])[NH+]1CCCCCC1	REAL300002546456	0	42	0.0	-49.35	323.45	7.35	-42.00
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=CC=C1N2	REAL300002546491	1	44	0.0	-75.50	364.47	8.56	-66.94
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=CC=C1N2	REAL300002546491	1	44	0.0	-75.83	365.51	8.48	-67.35
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])O1	REAL300002546549	0	42	0.0	-68.02	352.70	7.73	-60.29
O=C([O-])C(CC(F)(F)F)NC(=O)CCCC[NH+]1CCCC1	REAL300002546550	0	42	0.0	-65.00	343.69	7.89	-57.11
CC1=CC=C(N2CCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])CC2)[NH+]=C1	REAL300002546552	1	45	0.0	-64.07	366.15	7.71	-56.36
C[N@H+](CC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300002546553	1	39	0.0	-56.19	329.01	8.16	-48.03
C[N@@H+](CC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300002546553	1	39	0.0	-55.45	328.77	8.24	-47.21
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C2)CC1	REAL300002546557	0	51	0.0	-75.65	398.53	8.43	-67.22
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300002546572	1	34	0.0	-71.53	310.81	6.06	-65.47
C[NH+](C)CC1=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=NO1	REAL300002546601	1	35	0.0	-74.01	311.48	5.60	-68.41
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002546606	0	46	0.0	-63.76	376.83	9.62	-54.14
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002546606	1	46	0.0	-62.01	370.13	9.49	-52.52
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300002546630	0	47	0.0	-76.00	394.60	9.11	-66.89
C[NH+]1CCC(OCC(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300002546647	0	40	0.0	-71.64	332.31	6.65	-64.99
O=C([O-])C(CC(F)(F)F)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002546653	0	43	0.0	-69.72	357.44	8.16	-61.56
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC(CC(F)(F)F)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300002546694	0	45	0.0	-57.18	366.36	7.74	-49.44
CC(C)(C)[N@H+]1C[C@H](C(=O)NC(CC(F)(F)F)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300002546694	1	45	0.0	-49.24	364.97	7.87	-41.37
CCC[N@@H+]1CCCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300002546839	0	42	0.0	-58.43	336.09	7.58	-50.85
CCC[N@H+]1CCCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300002546839	1	42	0.0	-50.41	329.85	7.79	-42.62
CC(C)C[N@@H+]1CCCC1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002546872	0	42	0.0	-53.95	331.33	7.21	-46.74
CC(C)C[N@H+]1CCCC1C(=O)NC(CC(F)(F)F)C(=O)[O-]	REAL300002546872	1	42	0.0	-50.14	333.42	7.72	-42.42
O=C([O-])C(CC(F)(F)F)NC(=O)C[NH+]1CCC(CO)CC1	REAL300002546875	1	40	0.0	-52.59	325.31	3.79	-48.80
O=C([O-])C(CC(F)(F)F)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300002546970	0	47	0.0	-62.60	381.24	10.02	-52.58
O=C([O-])C(CC(F)(F)F)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300002546970	1	47	0.0	-59.07	382.11	10.09	-48.98
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300002547009	1	46	0.0	-53.55	377.38	9.79	-43.76
O=C([O-])C(CC(F)(F)F)NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300002547009	1	46	0.0	-53.57	377.40	9.78	-43.79
CC(C)[N@@H+]1CCCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300002547097	0	42	0.0	-56.62	331.00	7.43	-49.19
CC(C)[N@H+]1CCCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300002547097	1	42	0.0	-57.27	330.41	7.41	-49.86
C[N@@H+]1CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C(C(F)(F)F)C1	REAL300002547098	0	36	0.0	-70.84	316.71	6.29	-64.55
C[N@H+]1CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C(C(F)(F)F)C1	REAL300002547098	1	36	0.0	-63.23	300.38	6.09	-57.14
CC1=C(C)[NH+]=C(CCC(=O)NC(CC(F)(F)F)C(=O)[O-])N1	REAL300002547123	1	37	0.0	-54.89	322.59	5.86	-49.03
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC(F)(F)F)C(=O)[O-])=C1	REAL300002547605	0	42	0.0	-72.79	353.00	8.88	-63.91
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300002547612	0	43	0.0	-75.13	359.46	7.90	-67.23
O=C([O-])C(CC(F)(F)F)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002547702	0	49	0.0	-63.03	392.06	10.50	-52.53
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C2)CCO1	REAL300002547704	1	47	0.0	-77.50	377.64	8.30	-69.20
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])C=C2)CCO1	REAL300002547704	1	47	0.0	-76.59	377.09	8.28	-68.31
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC(F)(F)F)C(=O)[O-])CC1	REAL300002547747	0	42	0.0	-61.46	324.65	7.27	-54.19
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300002547813	0	45	0.0	-59.73	353.77	8.27	-51.46
CC(C)C[N@H+]1CCCC(C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300002547813	1	45	0.0	-59.73	353.77	8.27	-51.46
CN(C)CC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])O1	REAL300002547819	0	36	0.0	-70.97	315.85	6.28	-64.69
C[NH+](C)CC1=CC=C(C(=O)NC(CC(F)(F)F)C(=O)[O-])O1	REAL300002547819	1	36	0.0	-70.97	315.85	6.28	-64.69
C[N@@H+]1CCCC(C(C)(C)C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300002547825	0	45	0.0	-69.97	334.71	7.24	-62.73
C[N@H+]1CCCC(C(C)(C)C(=O)NC(CC(F)(F)F)C(=O)[O-])C1	REAL300002547825	1	45	0.0	-69.97	334.71	7.24	-62.73
O=C([O-])C(CC(F)(F)F)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002547828	0	38	0.0	-56.90	307.65	6.76	-50.14
O=C([O-])C1=CC=C(CNC(=O)C2CC[NH+](C3CC3)CC2)C(Br)=C1	REAL300002549005	0	44	0.0	-69.61	362.76	9.06	-60.55
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@@H+]2C2CC2)C(Br)=C1	REAL300002549023	0	41	0.0	-67.09	346.54	8.18	-58.91
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@H+]2C2CC2)C(Br)=C1	REAL300002549023	1	41	0.0	-66.30	343.85	8.03	-58.27
CC1=[NH+]C=C2CCC(C(=O)NCC3=CC=C(C(=O)[O-])C=C3Br)CN12	REAL300002549027	1	42	0.0	-63.89	361.94	8.85	-55.04
C[NH+](C)CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549070	0	33	0.0	-69.74	293.61	6.08	-63.66
C[N@@H+]1CCCCC1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549071	0	40	0.0	-65.15	335.34	7.77	-57.38
C[N@H+]1CCCCC1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549071	1	40	0.0	-66.03	335.32	7.78	-58.25
CC(C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)N1CC[NH+](C)CC1	REAL300002549072	1	45	0.0	-70.77	366.87	5.92	-64.85
C[N@@H+]1CCCC[C@H]1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549101	0	40	0.0	-65.15	335.34	7.78	-57.37
C[N@H+]1CCCC[C@H]1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549101	1	40	0.0	-67.68	326.26	7.50	-60.18
C[NH+]1CCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CC1	REAL300002549141	0	40	0.0	-72.37	337.93	7.86	-64.51
O=C([O-])C1=CC=C(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)C(Br)=C1	REAL300002549167	0	35	0.0	-70.60	323.77	9.58	-61.02
C[NH+](C)CC1(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CCCCC1	REAL300002549186	0	49	0.0	-72.08	377.98	9.74	-62.34
C[N@H+](CCC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)C1CCCCC1	REAL300002549190	0	49	0.0	-70.70	391.78	9.80	-60.90
C[N@@H+](CCC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)C1CCCCC1	REAL300002549190	1	49	0.0	-70.78	391.76	9.80	-60.98
C[N@@H+]1CCCC1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549199	0	37	0.0	-65.27	319.05	7.15	-58.12
C[N@H+]1CCCC1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549199	1	37	0.0	-66.01	319.96	7.15	-58.86
C[NH+]1CCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CC1	REAL300002549238	0	40	0.0	-72.37	337.93	7.86	-64.51
CC1=[NH+]C=CN1CCCC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549269	1	41	0.0	-67.36	364.58	9.00	-58.36
O=C([O-])C1=CC=C(CNC(=O)CCCC[NH+]2CCOCC2)C(Br)=C1	REAL300002549270	1	47	0.0	-73.79	391.87	7.68	-66.11
C[C@@H](C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)[NH+](C)C	REAL300002549276	0	36	0.0	-67.85	311.71	6.48	-61.37
C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549277	0	37	0.0	-67.06	313.62	6.64	-60.42
C[N@H+]1CCC[C@@H]1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549277	1	37	0.0	-66.27	319.70	7.24	-59.03
C[C@H](C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)[NH+](C)C	REAL300002549281	0	36	0.0	-67.17	311.74	6.50	-60.67
C[NH+](C)C1(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CC1	REAL300002549289	0	37	0.0	-67.56	321.48	7.41	-60.15
CCC(C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)[NH+](CC)CC	REAL300002549344	0	45	0.0	-63.44	359.87	8.46	-54.98
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C=N1	REAL300002549361	0	42	0.0	-73.77	367.57	7.72	-66.05
CCC[NH+](CCC)CCCC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549364	0	51	0.0	-70.52	416.16	10.31	-60.21
C[N@@H+]1CCOC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002549365	1	38	0.0	-74.84	331.00	6.54	-68.30
C[N@H+]1CCOC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002549365	1	38	0.0	-71.42	323.65	6.47	-64.95
CC(C)C1=[NH+]C=CN1CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549374	1	41	0.0	-64.50	359.00	8.92	-55.58
C[NH+](C)CC1(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CC1	REAL300002549383	0	40	0.0	-69.26	345.26	7.84	-61.42
C[NH+](C)CCCCC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549388	0	42	0.0	-71.94	358.97	8.23	-63.71
CC(C)C(C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)[NH+](C)C	REAL300002549398	0	42	0.0	-67.70	340.00	8.30	-59.40
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549414	1	39	0.0	-61.70	342.92	7.14	-54.56
CCC[N@H+](C)CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549420	0	39	0.0	-69.06	332.58	7.61	-61.45
CCC[N@@H+](C)CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549420	1	39	0.0	-69.15	332.83	7.50	-61.65
C[N@H+](CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)C1CCC1	REAL300002549437	0	40	0.0	-66.88	339.45	8.18	-58.70
C[N@@H+](CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)C1CCC1	REAL300002549437	1	40	0.0	-67.27	339.84	8.08	-59.19
CC(C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)[NH+]1CCSCC1	REAL300002549449	1	41	0.0	-69.67	348.94	7.92	-61.75
C[N@H+](CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)CC(C)(C)C	REAL300002549450	0	45	0.0	-68.41	362.97	8.70	-59.71
C[N@@H+](CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)CC(C)(C)C	REAL300002549450	1	45	0.0	-68.36	363.13	8.75	-59.61
CC[C@@H](C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)[NH+](C)C	REAL300002549453	0	39	0.0	-66.97	324.26	7.09	-59.88
C[N@@H+]1CCCC(O)(CC(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002549455	0	44	0.0	-68.99	361.05	6.54	-62.45
C[N@H+]1CCCC(O)(CC(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002549455	1	44	0.0	-66.00	363.91	6.44	-59.56
CCCCCC[N@H+](C)CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549475	0	48	0.0	-70.07	397.07	9.95	-60.12
CCCCCC[N@@H+](C)CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549475	1	48	0.0	-70.18	397.33	9.84	-60.34
O=C([O-])C1=CC=C(CNC(=O)C23CCC[NH+]2CCC3)C(Br)=C1	REAL300002549481	0	41	0.0	-64.28	338.19	8.07	-56.21
O=C([O-])C1=CC=C(CNC(=O)C2=CC3=C[NH+]=CN3C=C2)C(Br)=C1	REAL300002549488	1	35	0.0	-73.17	324.06	9.59	-63.58
C[N@H+](CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)C1CCSC1	REAL300002549494	0	41	0.0	-73.91	352.81	8.33	-65.58
C[N@@H+](CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)C1CCSC1	REAL300002549494	1	41	0.0	-73.94	352.68	8.42	-65.52
O=C([O-])C1=CC=C(CNC(=O)C2CCCC3CCC[N@@H+]32)C(Br)=C1	REAL300002549509	0	44	0.0	-64.86	349.88	8.73	-56.13
O=C([O-])C1=CC=C(CNC(=O)C2CCCC3CCC[N@H+]32)C(Br)=C1	REAL300002549509	1	44	0.0	-65.64	350.05	8.77	-56.87
C[NH+](C)CCN1C=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C=N1	REAL300002549510	0	43	0.0	-77.88	377.93	7.58	-70.30
CCCC(C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)[NH+](C)C	REAL300002549529	0	42	0.0	-67.55	347.72	8.00	-59.55
C[NH+](C)CCN1C=CC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)=N1	REAL300002549538	0	43	0.0	-76.95	378.29	7.59	-69.36
C[NH+](C)CCN1N=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549539	0	43	0.0	-68.81	373.37	7.56	-61.25
C[C@@H]1[C@H](C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CC[N@@H+]1C	REAL300002549541	0	40	0.0	-71.95	330.23	7.05	-64.90
C[C@@H]1[C@H](C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CC[N@H+]1C	REAL300002549541	1	40	0.0	-69.26	333.79	7.61	-61.65
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549543	1	44	0.0	-64.32	379.56	9.29	-55.03
CC[C@@H]1[C@@H](C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CC[N@@H+]1C	REAL300002549545	0	43	0.0	-69.92	350.34	7.88	-62.04
CC[C@@H]1[C@@H](C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CC[N@H+]1C	REAL300002549545	1	43	0.0	-70.12	355.49	8.12	-62.00
C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549547	1	39	0.0	-66.32	340.25	7.86	-58.46
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549547	1	39	0.0	-65.58	345.92	8.48	-57.10
CC1C[N@H+](C)CC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)O1	REAL300002549550	1	41	0.0	-73.79	345.22	7.34	-66.45
CC1C[N@@H+](C)CC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)O1	REAL300002549550	1	41	0.0	-73.84	345.48	7.25	-66.59
O=C([O-])C1=CC=C(CNC(=O)C[NH+]2CCCC2)C(Br)=C1	REAL300002549556	0	37	0.0	-68.07	319.09	7.22	-60.85
CC1=[NH+]C=CN1CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549558	1	35	0.0	-66.04	322.78	7.81	-58.23
CC(C[NH+]1CCOCC1)C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549560	0	44	0.0	-71.09	364.90	6.81	-64.28
CC1CC[NH+](CC(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CC1	REAL300002549579	0	43	0.0	-68.98	356.18	8.57	-60.41
CC[N@@H+]1CCOC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002549587	1	41	0.0	-73.81	348.55	7.27	-66.54
CC[N@H+]1CCOC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002549587	1	41	0.0	-74.11	348.80	7.19	-66.92
C[N@@H+]1CCCC1CCC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549611	0	43	0.0	-69.55	355.27	8.21	-61.34
C[N@H+]1CCCC1CCC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549611	1	43	0.0	-69.37	355.28	8.22	-61.15
O=C([O-])C1=CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)C(Br)=C1	REAL300002549619	0	44	0.0	-70.87	351.00	8.29	-62.58
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549621	0	41	0.0	-68.07	341.50	4.26	-63.81
C[N@H+]1CC(O)CC1(C)C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549621	1	41	0.0	-71.57	341.08	4.45	-67.12
O=C([O-])C1=CC=C(CNC(=O)C2CCC3CCCC[N@@H+]32)C(Br)=C1	REAL300002549622	0	44	0.0	-63.32	361.22	9.15	-54.17
O=C([O-])C1=CC=C(CNC(=O)C2CCC3CCCC[N@H+]32)C(Br)=C1	REAL300002549622	1	44	0.0	-63.38	361.41	9.05	-54.33
CC(C)(C[NH+]1CCOCC1)C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549626	0	47	0.0	-67.69	374.42	7.17	-60.52
CC[NH+](CC)CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549635	0	39	0.0	-67.42	325.19	7.17	-60.25
CC(C)[NH+]1CCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CC1	REAL300002549637	0	46	0.0	-69.59	368.60	8.81	-60.78
O=C([O-])C1=CC=C(CNC(=O)C23CC[NH+](CC2)C3)C(Br)=C1	REAL300002549690	0	38	0.0	-70.84	325.11	6.62	-64.22
CCC(C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)[NH+](C)C	REAL300002549693	0	39	0.0	-67.05	326.22	7.24	-59.81
O=C([O-])C1=CC=C(CNC(=O)C23CC[N@H+](C2)CCC3)C(Br)=C1	REAL300002549700	0	41	0.0	-71.04	335.31	7.40	-63.64
O=C([O-])C1=CC=C(CNC(=O)C23CC[N@@H+](C2)CCC3)C(Br)=C1	REAL300002549700	1	41	0.0	-71.08	335.54	7.33	-63.75
CC1CCC(C)[NH+]1CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549729	0	43	0.0	-65.44	350.75	8.11	-57.33
C[NH+](C)CC1=CC=CC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)=C1	REAL300002549730	0	43	0.0	-73.49	371.76	9.56	-63.93
C[NH+](C)C1(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CCC1	REAL300002549755	0	40	0.0	-67.37	324.47	7.62	-59.75
C#CC[NH+]1CCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CC1	REAL300002549772	0	42	0.0	-73.19	362.61	9.01	-64.18
CCC[N@@H+]1CCCCC1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549773	0	46	0.0	-65.73	365.46	8.91	-56.82
CCC[N@H+]1CCCCC1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549773	1	46	0.0	-64.29	374.89	9.07	-55.22
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549774	0	43	0.0	-64.05	364.23	9.86	-54.19
CC[NH+]1CCN(CCC(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CC1	REAL300002549775	0	48	0.0	-70.59	391.45	6.82	-63.77
CCN1CC[NH+](CCC(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CC1	REAL300002549775	1	48	0.0	-71.08	392.21	6.74	-64.34
CC(C)[N@H+](C)CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549776	0	39	0.0	-66.69	327.77	7.39	-59.30
CC(C)[N@@H+](C)CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549776	1	39	0.0	-66.80	328.03	7.29	-59.51
CC(C)C(C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)[NH+]1CCCCC1	REAL300002549777	0	49	0.0	-63.60	381.83	9.74	-53.86
C[NH+](C)C(C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)C1=CC=CC=C1	REAL300002549778	1	43	0.0	-65.97	368.00	9.68	-56.29
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549783	1	44	0.0	-64.02	378.77	9.35	-54.67
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@@H+]2C2CCCC2)C(Br)=C1	REAL300002549788	0	47	0.0	-66.38	363.52	9.25	-57.13
O=C([O-])C1=CC=C(CNC(=O)C2CCC[N@H+]2C2CCCC2)C(Br)=C1	REAL300002549788	1	47	0.0	-66.56	366.68	9.25	-57.31
CC[N@H+](CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)C1CC1	REAL300002549790	0	40	0.0	-66.29	339.96	8.07	-58.22
CC[N@@H+](CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)C1CC1	REAL300002549790	1	40	0.0	-66.29	339.97	8.07	-58.22
CC(C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)[NH+]1CCCCCC1	REAL300002549803	0	46	0.0	-64.87	363.67	8.50	-56.37
C[N@@H+]1CCC[C@H]1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549806	0	37	0.0	-66.37	318.69	7.14	-59.23
C[N@H+]1CCC[C@H]1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549806	1	37	0.0	-66.98	313.40	6.73	-60.25
CC(C)(C)[NH2+]CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549849	0	39	0.0	-68.20	332.56	5.82	-62.38
O=C([O-])C1=CC=C(CNC(=O)CCCC[NH+]2CCCC2)C(Br)=C1	REAL300002549850	0	46	0.0	-70.51	384.94	9.40	-61.11
C[N@H+](CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)CC1=CC=CC=C1	REAL300002549852	1	43	0.0	-72.58	370.01	9.79	-62.79
C[N@@H+](CC(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)CC1=CC=CC=C1	REAL300002549852	1	43	0.0	-72.69	370.27	9.68	-63.01
CC(C)[C@@H](C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br)[NH+](C)C	REAL300002549859	0	42	0.0	-68.04	341.20	8.23	-59.81
C[NH+](C)CC1=CC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)=NO1	REAL300002549882	1	39	0.0	-78.50	352.73	7.12	-71.38
CC(C)[N@@H+]1CCCC1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549891	0	43	0.0	-63.57	351.37	8.24	-55.33
CC(C)[N@H+]1CCCC1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002549891	1	43	0.0	-64.25	352.56	8.20	-56.05
C[NH+]1CCC(OCC(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CC1	REAL300002549905	0	44	0.0	-74.97	373.56	8.18	-66.79
CCC[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002550006	0	46	0.0	-64.91	370.86	9.40	-55.51
CCC[N@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002550006	1	46	0.0	-65.00	371.09	9.31	-55.69
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002550022	0	46	0.0	-65.32	377.32	9.25	-56.07
CC(C)C[N@H+]1CCCC1C(=O)NCC1=CC=C(C(=O)[O-])C=C1Br	REAL300002550022	1	46	0.0	-66.66	357.88	8.88	-57.78
O=C([O-])C1=CC=C(CNC(=O)C[NH+]2CCC(CO)CC2)C(Br)=C1	REAL300002550023	1	44	0.0	-71.70	367.40	5.27	-66.43
CC(C)[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002550158	0	46	0.0	-63.59	366.25	9.08	-54.51
CC(C)[N@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002550158	1	46	0.0	-63.57	366.01	9.17	-54.40
CC1=C(C)[NH+]=C(CCC(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)N1	REAL300002550174	1	41	0.0	-64.84	363.84	7.37	-57.47
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002550527	0	40	0.0	-69.83	342.92	7.91	-61.92
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)CC1	REAL300002550531	0	46	0.0	-66.39	365.65	8.88	-57.51
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002550570	0	49	0.0	-68.09	394.54	9.89	-58.20
CC(C)C[N@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002550570	1	49	0.0	-68.09	394.54	9.89	-58.20
CC[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002550571	0	43	0.0	-64.61	349.58	8.56	-56.05
CC[N@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002550571	1	43	0.0	-64.61	349.58	8.56	-56.05
C[N@@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002550576	0	40	0.0	-70.36	338.17	7.69	-62.67
C[N@H+]1CCCC(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002550576	1	40	0.0	-70.36	338.17	7.69	-62.67
CN(C)CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)O1	REAL300002550578	0	40	0.0	-72.99	358.19	7.89	-65.10
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)O1	REAL300002550578	1	40	0.0	-72.99	358.19	7.89	-65.10
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002550583	0	49	0.0	-73.05	375.73	8.86	-64.19
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=C(C(=O)[O-])C=C2Br)C1	REAL300002550583	1	49	0.0	-73.05	375.73	8.86	-64.19
O=C([O-])C1=CC=C(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(Br)=C1	REAL300002550586	0	42	0.0	-64.42	353.57	8.62	-55.80
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002551772	0	56	0.0	-79.10	438.59	9.96	-69.14
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300002552425	0	53	0.0	-69.13	421.25	9.33	-59.80
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300002552425	1	53	0.0	-69.41	421.41	9.39	-60.02
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CC[NH+](C2CC2)CC1	REAL300002553332	0	50	0.0	-72.87	391.37	7.80	-65.07
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC[N@@H+]1C1CC1	REAL300002553359	0	47	0.0	-66.30	376.01	7.29	-59.01
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC[N@H+]1C1CC1	REAL300002553359	1	47	0.0	-66.19	370.05	7.12	-59.07
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC2=C[NH+]=C(C)N2C1	REAL300002553365	1	48	0.0	-66.64	385.13	7.47	-59.17
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300002553366	0	56	0.0	-69.86	432.90	9.42	-60.44
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCCC[N@H+]1C	REAL300002553448	0	46	0.0	-68.88	350.14	6.15	-62.73
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCCC[N@@H+]1C	REAL300002553448	1	46	0.0	-69.46	350.12	6.17	-63.29
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C(C)N1CC[NH+](C)CC1	REAL300002553449	1	51	0.0	-73.02	390.76	4.57	-68.45
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)[C@@H]1CCCC[N@H+]1C	REAL300002553493	0	46	0.0	-67.96	359.46	6.33	-61.63
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)[C@@H]1CCCC[N@@H+]1C	REAL300002553493	1	46	0.0	-69.10	350.18	6.16	-62.94
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002553551	0	59	0.0	-72.33	452.25	10.42	-61.91
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CC[NH+](C)CC1	REAL300002553584	0	46	0.0	-75.76	362.08	6.39	-69.37
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002553610	0	41	0.0	-73.27	348.70	8.26	-65.01
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1(C[NH+](C)C)CCCCC1	REAL300002553643	0	55	0.0	-74.13	401.99	8.41	-65.72
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)CC[N@@H+](C)C1CCCCC1	REAL300002553648	0	55	0.0	-73.83	415.92	8.32	-65.51
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)CC[N@H+](C)C1CCCCC1	REAL300002553648	1	55	0.0	-73.75	415.91	8.32	-65.43
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CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1(C)CC(O)C[N@H+]1C	REAL300002554356	0	47	0.0	-72.50	365.87	2.83	-69.67
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300002554356	1	47	0.0	-73.10	366.40	3.21	-69.89
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CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC2CCCC[N@H+]21	REAL300002554357	1	50	0.0	-67.27	378.20	7.22	-60.05
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C(C)(C)C[NH+]1CCOCC1	REAL300002554364	0	53	0.0	-70.03	398.31	5.82	-64.21
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1	REAL300002554369	0	56	0.0	-82.08	433.92	7.11	-74.97
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1	REAL300002554369	1	56	0.0	-81.36	441.51	7.55	-73.81
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300002554373	0	58	0.0	-73.94	454.33	7.65	-66.29
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CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300002554374	1	58	0.0	-80.01	454.77	7.57	-72.44
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CC[NH+](C(C)C)CC1	REAL300002554383	0	52	0.0	-73.02	396.40	7.58	-65.44
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C12CC[NH+](CC1)C2	REAL300002554464	0	44	0.0	-74.10	350.14	5.29	-68.81
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C12CC[N@H+](C1)CCC2	REAL300002554474	0	47	0.0	-77.09	359.37	6.09	-71.00
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C12CC[N@@H+](C1)CCC2	REAL300002554474	1	47	0.0	-73.74	359.10	5.95	-67.79
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C[NH+]1C(C)CCC1C	REAL300002554523	0	49	0.0	-67.68	374.64	6.76	-60.92
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300002554524	0	49	0.0	-76.01	395.70	8.23	-67.78
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002554525	0	56	0.0	-69.85	432.40	10.12	-59.73
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002554525	1	56	0.0	-72.71	438.58	9.92	-62.79
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1([NH+](C)C)CCC1	REAL300002554565	0	46	0.0	-71.74	348.35	6.26	-65.48
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CCC[N@@H+]1CCCCC1C(=O)NCC1=C(C)N(CC(=O)[O-])N=C1C	REAL300002554600	0	52	0.0	-67.01	398.78	7.72	-59.29
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CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C(C(C)C)[NH+]1CCCCC1	REAL300002554605	0	55	0.0	-65.01	407.28	8.31	-56.70
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300002554606	1	49	0.0	-68.70	392.16	8.23	-60.47
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300002554610	0	54	0.0	-71.81	430.51	6.17	-65.64
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CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC[N@@H+]1C(C)C	REAL300002554830	1	49	0.0	-66.54	376.45	6.85	-59.69
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)COC1CC[NH+](C)CC1	REAL300002554856	0	50	0.0	-78.45	397.45	6.83	-71.62
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002554861	0	53	0.0	-76.56	424.68	8.46	-68.10
CCC[N@@H+]1CCCC(C(=O)NCC2=C(C)N(CC(=O)[O-])N=C2C)C1	REAL300002555055	0	52	0.0	-71.77	402.27	7.79	-63.98
CCC[N@H+]1CCCC(C(=O)NCC2=C(C)N(CC(=O)[O-])N=C2C)C1	REAL300002555055	1	52	0.0	-71.58	401.25	7.75	-63.83
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC[N@H+]1CC(C)C	REAL300002555087	0	52	0.0	-67.50	402.41	7.91	-59.59
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC[N@@H+]1CC(C)C	REAL300002555087	1	52	0.0	-61.01	387.81	7.85	-53.16
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C[NH+]1CCC(CO)CC1	REAL300002555088	1	50	0.0	-72.63	391.30	3.92	-68.71
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300002555195	0	57	0.0	-77.97	447.25	10.24	-67.73
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300002555195	1	57	0.0	-76.53	448.06	10.30	-66.23
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300002555326	0	52	0.0	-65.70	391.20	7.77	-57.93
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC[N@H+](C(C)C)C1	REAL300002555326	1	52	0.0	-65.46	390.13	7.73	-57.73
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300002555327	0	46	0.0	-80.63	382.48	6.52	-74.11
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300002555327	1	46	0.0	-77.86	374.25	6.47	-71.39
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)CCC1=[NH+]C(C)=C(C)N1	REAL300002555353	1	47	0.0	-67.67	387.74	6.03	-61.64
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300002555850	0	52	0.0	-77.27	418.17	9.05	-68.22
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300002555857	0	53	0.0	-78.77	426.47	8.05	-70.72
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002555954	0	59	0.0	-75.15	457.22	10.67	-64.48
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300002556000	0	46	0.0	-72.85	367.17	6.47	-66.38
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300002556004	0	52	0.0	-70.20	389.80	7.43	-62.77
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CN2C(=C[NH+]=C2C)C=C1	REAL300002556008	0	44	0.0	-69.25	370.10	8.04	-61.21
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC[N@@H+](CC(C)C)C1	REAL300002556074	0	55	0.0	-66.69	410.75	8.66	-58.03
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC[N@H+](CC(C)C)C1	REAL300002556074	1	55	0.0	-71.15	419.71	8.49	-62.66
CC[N@@H+]1CCCC(C(=O)NCC2=C(C)N(CC(=O)[O-])N=C2C)C1	REAL300002556075	0	49	0.0	-66.39	374.50	7.26	-59.13
CC[N@H+]1CCCC(C(=O)NCC2=C(C)N(CC(=O)[O-])N=C2C)C1	REAL300002556075	1	49	0.0	-66.25	373.49	7.21	-59.04
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC[N@@H+](C)C1	REAL300002556079	0	46	0.0	-72.80	362.10	6.35	-66.45
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1CCC[N@H+](C)C1	REAL300002556079	1	46	0.0	-66.46	355.82	6.56	-59.90
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300002556081	1	46	0.0	-77.56	382.04	6.54	-71.02
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300002556087	0	55	0.0	-75.85	399.85	7.40	-68.45
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300002556087	1	55	0.0	-75.30	407.47	7.86	-67.44
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002556090	0	48	0.0	-67.76	374.55	7.36	-60.40
CC1=NN(CC(=O)[O-])C(C)=C1CNC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300002556090	1	48	0.0	-68.58	376.63	8.10	-60.48
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(F)=C1F	REAL300002556192	0	43	0.0	-56.08	338.81	8.45	-47.63
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(F)=C1F	REAL300002556192	1	43	0.0	-54.73	338.81	8.42	-46.31
CC(C)C(C)(CC(=O)[O-])NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002557298	0	55	0.0	-78.20	391.91	10.37	-67.83
CC1=[NH+]C=C2CCC(C(=O)NC(C)(CC(=O)[O-])C(C)C)CN21	REAL300002558596	1	47	0.0	-50.46	341.31	8.37	-42.09
CC1=NC(C[NH+]2CCC(C(=O)NC(C)(CC(=O)[O-])C(C)C)CC2)=CS1	REAL300002558648	1	54	0.0	-78.32	398.86	8.13	-70.19
CC(C)C(C)(CC(=O)[O-])NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002558713	0	58	0.0	-77.99	424.66	9.91	-68.08
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300002558719	0	58	0.0	-77.72	425.58	12.21	-65.51
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300002558719	1	58	0.0	-73.43	422.34	12.31	-61.12
CC(C)C(C)(CC(=O)[O-])NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300002558788	0	54	0.0	-73.75	348.63	8.44	-65.31
CC(C)C(C)(CC(=O)[O-])NC(=O)CC[N@H+](C)C1CCCCC1	REAL300002558790	0	54	0.0	-70.61	369.12	8.72	-61.89
CC(C)C(C)(CC(=O)[O-])NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300002558790	1	54	0.0	-70.90	369.13	8.72	-62.18
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002558848	0	48	0.0	-76.59	358.66	7.78	-68.81
CC(C)C(C)(CC(=O)[O-])NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002558867	0	56	0.0	-63.21	375.54	7.24	-55.97
CC(C)C(C)(CC(=O)[O-])NC(=O)CCCC[NH+]1CCOCC1	REAL300002558891	1	52	0.0	-71.12	365.75	6.81	-64.31
CC[N@H+](CC1=CC=C(C(=O)NC(C)(CC(=O)[O-])C(C)C)C=C1)C(C)C	REAL300002558892	0	57	0.0	-64.85	391.04	10.46	-54.39
CC[N@@H+](CC1=CC=C(C(=O)NC(C)(CC(=O)[O-])C(C)C)C=C1)C(C)C	REAL300002558892	1	57	0.0	-63.47	390.56	10.25	-53.22
CC(C)C(C)(CC(=O)[O-])NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002558909	0	52	0.0	-54.80	376.53	10.01	-44.79
CC(C)C(C)(CC(=O)[O-])NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002558909	1	52	0.0	-54.46	377.98	10.11	-44.35
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CC(C)C(C)(CC(=O)[O-])NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002558933	0	56	0.0	-67.72	362.31	6.92	-60.80
CC(C)C(C)(CC(=O)[O-])NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300002558936	0	51	0.0	-50.02	367.84	9.61	-40.41
CC(C)C(C)(CC(=O)[O-])NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300002558936	1	51	0.0	-50.60	367.69	9.58	-41.02
CC(C)C(C)(CC(=O)[O-])NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002558944	0	58	0.0	-57.84	416.62	11.66	-46.18
CC(C)C(C)(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002558944	1	58	0.0	-53.91	407.55	11.77	-42.14
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300002558961	0	47	0.0	-71.44	341.18	6.80	-64.64
CCC[NH+](CCC)CCCC(=O)NC(C)(CC(=O)[O-])C(C)C	REAL300002558968	0	56	0.0	-70.99	388.88	9.07	-61.92
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002558986	0	52	0.0	-65.09	375.03	10.17	-54.92
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002558991	0	55	0.0	-68.90	387.19	10.56	-58.34
CCN1CCC([NH+]2CCC(C(=O)NC(C)(CC(=O)[O-])C(C)C)CC2)CC1	REAL300002558997	0	63	0.0	-74.83	421.76	7.86	-66.97
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300002559004	1	59	0.0	-84.12	423.71	9.51	-74.61
CC(C)C(C)(CC(=O)[O-])NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002559013	1	56	0.0	-76.88	394.75	9.43	-67.45
CC(C)C(C)(CC(=O)[O-])NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002559013	1	56	0.0	-81.88	398.27	9.51	-72.37
CC1=C(C(=O)NC(C)(CC(=O)[O-])C(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300002559027	1	46	0.0	-78.41	344.76	7.02	-71.39
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002559030	0	55	0.0	-65.74	392.35	10.88	-54.86
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002559041	1	48	0.0	-72.27	350.88	7.32	-64.95
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300002559042	0	51	0.0	-69.54	373.60	9.94	-59.60
CC(C)C(C)(CC(=O)[O-])NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002559055	0	61	0.0	-48.02	425.41	12.01	-36.01
CC(C)C(C)(CC(=O)[O-])NC(=O)C(C)[NH+]1CCSCC1	REAL300002559078	1	46	0.0	-69.02	323.10	7.06	-61.96
CC(C)C(C)(CC(=O)[O-])NC(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300002559085	0	51	0.0	-52.16	372.11	10.03	-42.13
CC(C)C(C)(CC(=O)[O-])NC(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300002559085	1	51	0.0	-52.30	372.11	10.04	-42.26
COCCOCC[N@H+](C)CCC(=O)NC(C)(CC(=O)[O-])C(C)C	REAL300002559086	0	55	0.0	-70.36	398.61	5.81	-64.55
COCCOCC[N@@H+](C)CCC(=O)NC(C)(CC(=O)[O-])C(C)C	REAL300002559086	1	55	0.0	-69.73	395.32	5.69	-64.04
CC(C)C(C)(CC(=O)[O-])NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300002559089	0	49	0.0	-56.52	330.73	5.73	-50.79
CC(C)C(C)(CC(=O)[O-])NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300002559089	1	49	0.0	-63.47	325.62	4.93	-58.54
CC(C)C(C)(CC(=O)[O-])NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002559094	0	60	0.0	-75.89	424.89	9.30	-66.59
CCCCCC[N@H+](C)CC(=O)NC(C)(CC(=O)[O-])C(C)C	REAL300002559095	0	53	0.0	-67.93	374.32	8.93	-59.00
CCCCCC[N@@H+](C)CC(=O)NC(C)(CC(=O)[O-])C(C)C	REAL300002559095	1	53	0.0	-49.58	376.70	9.35	-40.23
CC(C)C(C)(CC(=O)[O-])NC(=O)C[N@H+](C)C1CCSC1	REAL300002559117	0	46	0.0	-70.07	331.34	7.39	-62.68
CC(C)C(C)(CC(=O)[O-])NC(=O)C[N@@H+](C)C1CCSC1	REAL300002559117	1	46	0.0	-54.14	332.46	7.83	-46.31
CC(C)[NH+]1CCN(CCC(=O)NC(C)(CC(=O)[O-])C(C)C)CC1	REAL300002559127	0	56	0.0	-71.62	385.94	6.33	-65.29
CC(C)[NH+]1CCN(CCCC(=O)NC(C)(CC(=O)[O-])C(C)C)CC1	REAL300002559128	0	59	0.0	-69.86	407.56	7.11	-62.75
CC(C)N1CC[NH+](CCCC(=O)NC(C)(CC(=O)[O-])C(C)C)CC1	REAL300002559128	1	59	0.0	-68.93	400.31	6.83	-62.10
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300002559130	0	48	0.0	-74.77	351.38	6.73	-68.04
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C)(CC(=O)[O-])C(C)C)CC2)=C1	REAL300002559133	0	60	0.0	-72.20	421.68	9.22	-62.98
CC(C)C(C)(CC(=O)[O-])NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002559135	0	57	0.0	-72.19	400.28	8.56	-63.63
CC(C)C(C)(CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002559138	0	54	0.0	-69.71	377.31	8.77	-60.94
CC(C)C(C)(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002559138	1	54	0.0	-69.72	376.72	8.77	-60.95
CC(C)C(C)(CC(=O)[O-])NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002559143	1	52	0.0	-64.94	362.55	9.66	-55.28
CC(C)C(C)(CC(=O)[O-])NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300002559143	1	52	0.0	-46.66	368.44	10.14	-36.52
CC(C)C(C)(CC(=O)[O-])NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002559162	0	55	0.0	-72.14	392.37	10.38	-61.76
CC(C)C(C)(CC(=O)[O-])NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002559162	1	55	0.0	-59.65	396.58	10.76	-48.89
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300002559173	0	48	0.0	-84.73	355.39	6.65	-78.08
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300002559174	0	48	0.0	-57.11	352.76	7.10	-50.01
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)(CC(=O)[O-])C(C)C	REAL300002559175	1	49	0.0	-61.35	351.51	8.21	-53.14
CC(C)C(C)(CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002559186	0	55	0.0	-69.74	388.79	10.60	-59.14
CC(C)C(C)(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002559186	1	55	0.0	-65.99	388.87	10.69	-55.30
CC(C)C(C)(CC(=O)[O-])NC(=O)C(C)C[NH+]1CCOCC1	REAL300002559190	1	49	0.0	-67.84	338.66	5.93	-61.91
CC(C)C(C)(CC(=O)[O-])NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002559191	0	56	0.0	-74.10	401.24	7.88	-66.22
CC(C)C(C)(CC(=O)[O-])NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1	REAL300002559227	1	55	0.0	-83.11	387.86	8.56	-74.55
CC(C)C(C)(CC(=O)[O-])NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002559228	0	55	0.0	-64.47	373.06	9.16	-55.31
CC(C)C(C)(CC(=O)[O-])NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002559228	1	55	0.0	-64.71	372.61	9.08	-55.63
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300002559253	0	57	0.0	-67.73	404.31	8.13	-59.60
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300002559254	0	57	0.0	-78.73	406.61	7.87	-70.86
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300002559254	1	57	0.0	-81.77	406.95	7.93	-73.84
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C)(CC(=O)[O-])C(C)C)C=C1	REAL300002559255	0	58	0.0	-66.04	412.25	9.95	-56.09
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002559333	0	59	0.0	-68.80	424.33	8.25	-60.55
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300002559337	0	48	0.0	-74.33	348.53	8.65	-65.68
CC(C)C(C)(CC(=O)[O-])NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002559338	0	55	0.0	-52.81	384.76	10.89	-41.92
CC(C)C(C)(CC(=O)[O-])NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002559338	1	55	0.0	-64.02	382.42	10.61	-53.41
CC[NH+]1CCN(CCC(=O)NC(C)(CC(=O)[O-])C(C)C)CC1	REAL300002559379	0	53	0.0	-73.52	368.04	5.67	-67.85
CCN1CC[NH+](CCC(=O)NC(C)(CC(=O)[O-])C(C)C)CC1	REAL300002559379	1	53	0.0	-67.94	366.09	5.87	-62.07
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C)(CC(=O)[O-])C(C)C	REAL300002559385	1	49	0.0	-60.96	352.58	8.21	-52.75
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300002559431	1	53	0.0	-74.54	380.42	9.14	-65.40
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300002559431	1	53	0.0	-78.79	383.53	9.05	-69.74
CC[NH+](CC)CC1=CC=C(C(=O)NC(C)(CC(=O)[O-])C(C)C)O1	REAL300002559471	0	51	0.0	-69.62	363.00	7.93	-61.69
CC1=CC=C(N2CCC(C(=O)NC(C)(CC(=O)[O-])C(C)C)CC2)[NH+]=C1	REAL300002559472	1	54	0.0	-71.54	384.37	8.21	-63.33
CC(C)C(C)(CC(=O)[O-])NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300002559473	1	48	0.0	-70.93	347.26	8.76	-62.17
CC(C)C(C)(CC(=O)[O-])NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300002559473	1	48	0.0	-51.23	349.62	9.19	-42.04
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C)(CC(=O)[O-])C(C)C)C=C2)CC1	REAL300002559476	0	60	0.0	-80.56	416.54	9.02	-71.54
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300002559485	1	43	0.0	-73.75	326.37	6.67	-67.08
CC(C)C(C)(CC(=O)[O-])NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300002559512	0	55	0.0	-75.50	395.59	10.23	-65.27
CC(C)C(C)(CC(=O)[O-])NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300002559512	1	55	0.0	-69.31	391.48	10.38	-58.93
CC(C)C(C)(CC(=O)[O-])NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002559529	0	56	0.0	-80.80	413.09	9.62	-71.18
CC(C)C(C)(CC(=O)[O-])NC(=O)COC1CC[NH+](C)CC1	REAL300002559540	0	49	0.0	-72.50	347.10	6.91	-65.59
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002559544	0	52	0.0	-77.29	376.85	8.83	-68.46
CC(C)C(C)(CC(=O)[O-])NC(=O)C[NH+]1CCC(CO)CC1	REAL300002559690	0	49	0.0	-66.25	341.01	4.19	-62.06
CC(C)C(C)(CC(=O)[O-])NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300002559845	0	45	0.0	-77.06	321.70	6.46	-70.60
CC(C)C(C)(CC(=O)[O-])NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300002559845	1	45	0.0	-52.51	337.26	7.32	-45.19
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300002560186	0	51	0.0	-70.94	368.12	9.55	-61.39
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300002560191	0	52	0.0	-80.98	378.66	8.42	-72.56
CC(C)C(C)(CC(=O)[O-])NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002560263	0	58	0.0	-67.88	410.42	11.08	-56.80
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300002560265	1	56	0.0	-76.07	392.73	8.82	-67.25
CC(C)C(C)(CC(=O)[O-])NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300002560265	1	56	0.0	-83.16	396.28	8.80	-74.36
CC1=[NH+]C=C2C=CC(C(=O)NC(C)(CC(=O)[O-])C(C)C)=CN21	REAL300002560288	0	43	0.0	-67.22	322.31	8.42	-58.80
CC(C)C[N@@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C(C)C)C1	REAL300002560325	0	54	0.0	-61.95	365.43	9.10	-52.85
CC(C)C[N@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C(C)C)C1	REAL300002560325	1	54	0.0	-53.83	374.13	9.31	-44.52
CC(C)C1=CC=C(C2CCCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002560405	0	59	0.0	-46.90	419.14	12.74	-34.16
CC(C)C1=CC=C(C2CCCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002560405	1	59	0.0	-46.23	425.37	12.76	-33.47
O=C([O-])CC1(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCOC1	REAL300002561506	0	51	0.0	-62.80	381.77	8.31	-54.49
CC1=[NH+]C=C2CCC(C(=O)NC3(CC(=O)[O-])CCOC3)CN21	REAL300002562804	1	43	0.0	-51.00	328.72	5.83	-45.17
CC1=NC(C[NH+]2CCC(C(=O)NC3(CC(=O)[O-])CCOC3)CC2)=CS1	REAL300002562856	1	50	0.0	-60.42	388.47	6.34	-54.08
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2(CC(=O)[O-])CCOC2)C=C1	REAL300002562921	0	54	0.0	-69.93	415.08	7.83	-62.10
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(CC(=O)[O-])CCOC2)=C1	REAL300002562927	0	54	0.0	-69.79	415.90	10.17	-59.62
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C[NH+](C)CC1(C(=O)NC2(CC(=O)[O-])CCOC2)CCCCC1	REAL300002562996	0	50	0.0	-62.90	339.19	6.48	-56.42
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CC[N@H+](CC1=CC=C(C(=O)NC2(CC(=O)[O-])CCOC2)C=C1)C(C)C	REAL300002563100	0	53	0.0	-66.07	383.50	8.07	-58.00
CC[N@@H+](CC1=CC=C(C(=O)NC2(CC(=O)[O-])CCOC2)C=C1)C(C)C	REAL300002563100	1	53	0.0	-65.70	377.78	7.72	-57.98
O=C([O-])CC1(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCOC1	REAL300002563117	0	48	0.0	-55.41	364.88	7.60	-47.81
O=C([O-])CC1(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCOC1	REAL300002563117	1	48	0.0	-54.88	365.23	7.64	-47.24
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CC(C)C[N@H+]1CCCC(C(=O)NC2(CC(=O)[O-])CCCOC2)C1	REAL300002568990	1	53	0.0	-53.84	375.81	7.96	-45.88
C[NH+](C)CC1=CC=C(C(=O)NC2(CC(=O)[O-])CCCOC2)O1	REAL300002568996	1	44	0.0	-66.02	337.55	5.82	-60.20
O=C([O-])CC1(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)CCCOC1	REAL300002569004	0	46	0.0	-44.22	326.86	6.66	-37.56
O=C([O-])CC1(NC(=O)C23CC(C2)C[N@H+]3C2CC2)CCCOC1	REAL300002569004	1	46	0.0	-47.06	327.64	6.51	-40.55
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C2=CC=CC=C21	REAL300002569087	0	49	0.0	-49.53	384.03	10.87	-38.66
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C2=CC=CC=C21	REAL300002569087	1	49	0.0	-50.74	384.08	10.87	-39.87
CC1=CC=C(C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])C=C1C	REAL300002570138	0	56	0.0	-77.38	431.47	12.45	-64.93
CC1=CC=C(C(NC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1C	REAL300002571421	0	50	0.0	-71.65	380.44	10.03	-61.62
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CC=C(C)C(C)=C3)CN21	REAL300002571447	1	48	0.0	-62.90	378.73	9.98	-52.92
CC1=CC=C(C(NC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])C=C1C	REAL300002571514	1	51	0.0	-71.74	384.02	7.08	-64.66
CC1=CC=C(C(NC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])C=C1C	REAL300002571548	0	46	0.0	-55.03	352.96	8.78	-46.25
CC1=CC=C(C(NC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])C=C1C	REAL300002571548	1	46	0.0	-62.66	343.64	8.59	-54.07
CC1=CC=C(C(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])C=C1C	REAL300002571588	0	59	0.0	-81.56	465.07	11.90	-69.66
CC1=CC=C(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1C	REAL300002571621	0	46	0.0	-75.57	355.61	8.82	-66.75
CC1=CC=C(C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])C=C1C	REAL300002571646	0	41	0.0	-71.27	340.54	10.73	-60.54
CC1=CC=C(C(NC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])C=C1C	REAL300002571675	0	55	0.0	-73.65	394.12	11.63	-62.02
CC1=CC=C(C(NC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])C=C1C	REAL300002571679	0	55	0.0	-67.21	409.40	10.76	-56.45
CC1=CC=C(C(NC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])C=C1C	REAL300002571679	1	55	0.0	-67.19	409.44	10.75	-56.44
CC1=CC=C(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1C	REAL300002571736	0	46	0.0	-75.57	355.61	8.82	-66.75
CC1=CC=C(C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(=O)[O-])C=C1C	REAL300002571739	0	49	0.0	-80.72	399.94	9.88	-70.84
CC1=CC=C(C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C(=O)[O-])C=C1C	REAL300002571754	0	57	0.0	-68.34	416.22	9.30	-59.04
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300002571783	1	47	0.0	-66.90	381.35	10.12	-56.78
CC1=CC=C(C(NC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])C=C1C	REAL300002571784	1	53	0.0	-76.18	409.27	8.76	-67.42
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=C1)C(C)C	REAL300002571786	0	58	0.0	-81.49	437.47	12.35	-69.14
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=C1)C(C)C	REAL300002571786	1	58	0.0	-83.42	429.07	12.09	-71.33
CC1=CC=C(C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1C	REAL300002571823	0	53	0.0	-67.97	414.56	11.56	-56.41
CC1=CC=C(C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1C	REAL300002571823	1	53	0.0	-68.14	414.59	11.58	-56.56
CC1=CC=C(C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C(=O)[O-])C=C1C	REAL300002571824	0	54	0.0	-79.16	414.77	11.06	-68.10
CC1=CC=C(C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C(=O)[O-])C=C1C	REAL300002571852	0	57	0.0	-68.75	408.34	9.06	-59.69
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1)[NH+](CC)CC	REAL300002571856	0	51	0.0	-54.14	377.03	9.60	-44.54
CC1=CC=C(C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300002571858	0	52	0.0	-61.62	406.17	11.16	-50.46
CC1=CC=C(C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300002571858	1	52	0.0	-58.88	405.91	11.17	-47.71
CC1=CC=C(C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C(=O)[O-])C=C1C	REAL300002571867	0	59	0.0	-61.17	448.15	13.51	-47.66
CC1=CC=C(C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C(=O)[O-])C=C1C	REAL300002571867	1	59	0.0	-61.56	449.06	13.46	-48.10
CC1=CC=C(C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])C=C1C	REAL300002571880	0	48	0.0	-80.05	384.73	8.87	-71.18
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300002571886	0	57	0.0	-70.81	429.09	11.09	-59.72
CC1=CC=C(C(NC(=O)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1C	REAL300002571888	1	44	0.0	-54.74	341.94	7.49	-47.25
CC1=CC=C(C(NC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1C	REAL300002571888	1	44	0.0	-67.87	341.28	7.47	-60.40
CC1=CC=C(C(NC(=O)CN2C=C[NH+]=C2C(C)C)C(=O)[O-])C=C1C	REAL300002571896	1	47	0.0	-57.33	376.43	9.98	-47.35
CC1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(=O)[O-])C=C1C	REAL300002571911	0	53	0.0	-84.74	413.74	11.88	-72.86
CC1=CC=C(C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(=O)[O-])C=C1C	REAL300002571917	0	56	0.0	-77.27	430.69	12.51	-64.76
CC1=CC=C(C(NC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])C=C1C	REAL300002571923	0	46	0.0	-69.22	362.53	8.89	-60.33
CC1=CC=C(C(NC(=O)CCCC[NH+](C)C)C(=O)[O-])C=C1C	REAL300002571932	0	48	0.0	-75.06	376.37	9.30	-65.76
CC1=CC=C(C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C=C1C	REAL300002571942	1	57	0.0	-79.71	438.30	11.72	-67.99
CC1=CC=C(C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C=C1C	REAL300002571942	1	57	0.0	-78.64	438.34	11.71	-66.93
CC1=C(C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002571954	1	47	0.0	-81.88	386.77	9.05	-72.83
CC1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])C=C1C	REAL300002571957	0	56	0.0	-83.99	430.07	12.58	-71.41
CC1=CC=C(C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])C=C1C	REAL300002571969	1	49	0.0	-80.13	394.19	9.33	-70.80
CC1=CC=C(C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1C	REAL300002571970	0	52	0.0	-89.26	411.66	11.50	-77.76
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300002571976	1	45	0.0	-59.09	360.06	8.33	-50.76
CC1=CC=C(C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C=C1C	REAL300002571977	1	54	0.0	-75.88	424.87	11.27	-64.61
CC1=CC=C(C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C=C1C	REAL300002571977	1	54	0.0	-75.73	424.54	11.23	-64.50
CC1=CC=C(C(NC(=O)C[N@@H+](C)C2CCC2)C(=O)[O-])C=C1C	REAL300002571997	0	46	0.0	-56.80	357.20	9.15	-47.65
CC1=CC=C(C(NC(=O)C[N@H+](C)C2CCC2)C(=O)[O-])C=C1C	REAL300002571997	1	46	0.0	-56.74	356.50	9.19	-47.55
CC1=CC=C(C(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])C=C1C	REAL300002572026	0	51	0.0	-58.34	378.62	9.65	-48.69
CC1=CC=C(C(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-])C=C1C	REAL300002572026	1	51	0.0	-59.02	381.11	9.73	-49.29
CC1=CC=C(C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300002572028	0	52	0.0	-61.49	409.92	11.68	-49.81
CC1=CC=C(C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300002572028	1	52	0.0	-61.46	409.92	11.67	-49.79
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300002572029	0	56	0.0	-65.86	438.91	7.86	-58.00
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300002572029	1	56	0.0	-67.65	439.17	7.78	-59.87
CC1=CC=C(C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C(=O)[O-])C=C1C	REAL300002572033	0	50	0.0	-67.93	377.85	7.64	-60.29
CC1=CC=C(C(NC(=O)CC2(O)CCC[N@H+](C)C2)C(=O)[O-])C=C1C	REAL300002572033	1	50	0.0	-58.80	380.69	7.56	-51.24
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300002572045	0	54	0.0	-59.51	414.11	10.98	-48.53
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300002572045	1	54	0.0	-59.86	414.51	10.99	-48.87
CC1=CC=C(C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])C=C1C	REAL300002572059	1	41	0.0	-79.16	341.42	10.68	-68.48
CC1=CC=C(C(NC(=O)C[N@@H+](C)C2CCSC2)C(=O)[O-])C=C1C	REAL300002572073	0	47	0.0	-63.94	370.27	9.47	-54.47
CC1=CC=C(C(NC(=O)C[N@H+](C)C2CCSC2)C(=O)[O-])C=C1C	REAL300002572073	1	47	0.0	-61.27	370.07	9.49	-51.78
CC1=CC=C(C(NC(=O)CCN2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1C	REAL300002572088	0	57	0.0	-71.61	426.33	8.33	-63.28
CC1=CC=C(C(NC(=O)CC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])C=C1C	REAL300002572088	1	57	0.0	-65.40	422.54	8.22	-57.18
CC1=CC=C(C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1C	REAL300002572089	0	60	0.0	-71.81	447.88	9.14	-62.67
CC1=CC=C(C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])C=C1C	REAL300002572089	1	60	0.0	-70.49	444.14	8.92	-61.57
CC1=CC=C(C(NC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])C=C1C	REAL300002572090	0	50	0.0	-52.51	374.82	10.07	-42.44
CC1=CC=C(C(NC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])C=C1C	REAL300002572090	1	50	0.0	-53.34	375.42	10.02	-43.32
CC1=CC=C(C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C(=O)[O-])C=C1C	REAL300002572092	0	49	0.0	-81.75	395.31	8.67	-73.08
CC1=CC=C(C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C(=O)[O-])C=C1C	REAL300002572096	0	58	0.0	-69.79	443.78	10.50	-59.29
CC1=CC=C(C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(=O)[O-])C=C1C	REAL300002572098	0	55	0.0	-67.07	420.20	10.85	-56.22
CC1=CC=C(C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(=O)[O-])C=C1C	REAL300002572098	1	55	0.0	-69.45	426.70	10.57	-58.88
CC1=CC=C(C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])C=C1C	REAL300002572103	1	53	0.0	-59.52	406.04	11.72	-47.80
CC1=CC=C(C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])C=C1C	REAL300002572103	1	53	0.0	-59.51	406.05	11.74	-47.77
CC1=CC=C(C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1C	REAL300002572122	0	56	0.0	-74.05	433.34	12.33	-61.72
CC1=CC=C(C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1C	REAL300002572122	1	56	0.0	-73.07	433.96	12.37	-60.70
CC1=CC=C(C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1C	REAL300002572135	0	49	0.0	-89.71	395.47	8.76	-80.95
CC1=CC=C(C(NC(=O)C2=CC=NN2CC[NH+](C)C)C(=O)[O-])C=C1C	REAL300002572136	0	49	0.0	-61.01	391.27	8.68	-52.33
CC1=CC=C(C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(=O)[O-])C=C1C	REAL300002572138	0	46	0.0	-65.29	343.83	8.23	-57.06
CC1=CC=C(C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(=O)[O-])C=C1C	REAL300002572138	1	46	0.0	-68.27	352.03	8.36	-59.91
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300002572139	1	50	0.0	-62.89	396.98	10.37	-52.52
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC[N@@H+]1C	REAL300002572142	0	49	0.0	-71.84	367.68	8.87	-62.97
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC[N@H+]1C	REAL300002572142	1	49	0.0	-62.96	371.78	9.46	-53.50
CC1=CC=C(C(NC(=O)C2C[N@@H+](C)CC(C)O2)C(=O)[O-])C=C1C	REAL300002572152	1	47	0.0	-72.58	362.86	8.33	-64.25
CC1=CC=C(C(NC(=O)C2C[N@H+](C)CC(C)O2)C(=O)[O-])C=C1C	REAL300002572152	1	47	0.0	-72.56	362.86	8.32	-64.24
CC1=CC=C(C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C(=O)[O-])C=C1C	REAL300002572156	0	56	0.0	-68.83	437.95	12.47	-56.36
CC1=CC=C(C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C(=O)[O-])C=C1C	REAL300002572156	1	56	0.0	-69.62	438.25	12.49	-57.13
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300002572160	1	41	0.0	-58.33	340.41	8.78	-49.55
CC1=CC=C(C(NC(=O)C(C)C[NH+]2CCOCC2)C(=O)[O-])C=C1C	REAL300002572162	0	50	0.0	-67.13	382.26	7.89	-59.24
CC1=CC=C(C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C(=O)[O-])C=C1C	REAL300002572163	0	57	0.0	-69.47	441.53	9.91	-59.56
CC1=CC=C(C(NC(=O)C[NH+]2CCC(C)CC2)C(=O)[O-])C=C1C	REAL300002572175	0	49	0.0	-58.91	373.72	9.74	-49.17
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C1	REAL300002572188	1	47	0.0	-70.97	366.86	8.30	-62.67
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C1	REAL300002572188	1	47	0.0	-53.36	358.49	8.15	-45.21
CC1=CC=C(C(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)C(=O)[O-])C=C1C	REAL300002572219	1	56	0.0	-75.40	432.18	10.78	-64.62
CC1=CC=C(C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])C=C1C	REAL300002572220	0	56	0.0	-63.41	416.46	11.08	-52.33
CC1=CC=C(C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])C=C1C	REAL300002572220	1	56	0.0	-67.86	416.31	11.03	-56.83
CC1=CC=C(C(NC(=O)CCC2CCC[N@H+]2C)C(=O)[O-])C=C1C	REAL300002572227	0	49	0.0	-68.65	374.33	9.58	-59.07
CC1=CC=C(C(NC(=O)CCC2CCC[N@@H+]2C)C(=O)[O-])C=C1C	REAL300002572227	1	49	0.0	-69.14	372.27	9.23	-59.91
CC1=CC=C(C(NC(=O)C2CCC3CCCC[N@@H+]32)C(=O)[O-])C=C1C	REAL300002572237	0	50	0.0	-56.81	378.82	10.14	-46.67
CC1=CC=C(C(NC(=O)C2CCC3CCCC[N@H+]32)C(=O)[O-])C=C1C	REAL300002572237	1	50	0.0	-59.54	371.71	9.65	-49.89
CC1=CC=C(C(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C(=O)[O-])C=C1C	REAL300002572249	0	58	0.0	-78.26	447.81	10.09	-68.17
CC1=CC=C(C(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C(=O)[O-])C=C1C	REAL300002572250	0	58	0.0	-84.65	447.78	10.08	-74.57
CC1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C(=O)[O-])C=C1C	REAL300002572250	1	58	0.0	-85.60	447.02	10.03	-75.57
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=C1	REAL300002572252	0	59	0.0	-83.49	450.11	11.60	-71.89
CC1=CC=C(C(NC(=O)C2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1C	REAL300002572260	0	52	0.0	-69.54	386.23	9.77	-59.77
CC1=CC=C(C(NC(=O)C23CC[NH+](CC2)C3)C(=O)[O-])C=C1C	REAL300002572327	0	44	0.0	-71.41	342.62	7.68	-63.73
CC1=CC=C(C(NC(=O)C23CC[N@H+](C2)CCC3)C(=O)[O-])C=C1C	REAL300002572336	0	47	0.0	-71.63	352.78	8.36	-63.27
CC1=CC=C(C(NC(=O)C23CC[N@@H+](C2)CCC3)C(=O)[O-])C=C1C	REAL300002572336	1	47	0.0	-71.20	352.35	8.45	-62.75
CC1=CC=C(C(NC(=O)C[NH+]2C(C)CCC2C)C(=O)[O-])C=C1C	REAL300002572378	0	49	0.0	-55.10	367.41	9.10	-46.00
CC1=CC=C(C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])C=C1C	REAL300002572379	0	49	0.0	-77.56	389.14	10.65	-66.91
CC1=CC=C(C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1C	REAL300002572380	0	56	0.0	-66.47	432.14	12.36	-54.11
CC1=CC=C(C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1C	REAL300002572380	1	56	0.0	-65.81	432.51	12.46	-53.35
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300002572434	0	48	0.0	-74.21	380.26	9.98	-64.23
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300002572436	0	54	0.0	-75.40	408.42	7.67	-67.73
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)CC1	REAL300002572436	1	54	0.0	-65.26	409.39	7.89	-57.37
CC1=CC=C(C(NC(=O)CCN2C=C[NH+]=C2C(C)C)C(=O)[O-])C=C1C	REAL300002572443	1	50	0.0	-61.26	396.22	10.39	-50.87
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1)C1CC1	REAL300002572449	0	46	0.0	-56.57	356.73	9.19	-47.38
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(C)C(C)=C1)C1CC1	REAL300002572449	1	46	0.0	-57.67	357.40	9.19	-48.48
CC1=CC=C(C(NC(=O)C(C)[NH+]2CCCCCC2)C(=O)[O-])C=C1C	REAL300002572476	0	52	0.0	-57.32	374.87	9.90	-47.42
CC1=CC=C(C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C(=O)[O-])C=C1C	REAL300002572514	1	54	0.0	-85.16	423.95	11.10	-74.06
CC1=CC=C(C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C(=O)[O-])C=C1C	REAL300002572514	1	54	0.0	-84.59	423.91	11.15	-73.44
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)O1	REAL300002572553	0	52	0.0	-77.41	406.59	10.14	-67.27
CC1=CC=C(C(NC(=O)CCCC[NH+]2CCCC2)C(=O)[O-])C=C1C	REAL300002572554	0	52	0.0	-73.28	402.31	10.48	-62.80
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C3=CC=C(C)C(C)=C3)CC2)[NH+]=C1	REAL300002572556	1	55	0.0	-71.57	424.42	10.28	-61.29
CC1=CC=C(C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300002572557	1	49	0.0	-61.96	387.44	10.84	-51.12
CC1=CC=C(C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300002572557	1	49	0.0	-62.39	387.73	10.76	-51.63
CC1=CC=C(C(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])C=C1C	REAL300002572581	1	44	0.0	-80.21	370.28	8.61	-71.60
CC1=CC=C(C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C(=O)[O-])C=C1C	REAL300002572604	1	45	0.0	-82.46	369.10	8.14	-74.32
CC1=CC=C(C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])C=C1C	REAL300002572608	0	56	0.0	-74.82	436.15	12.25	-62.57
CC1=CC=C(C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])C=C1C	REAL300002572608	1	56	0.0	-69.39	432.34	12.27	-57.12
CC1=CC=C(C(NC(=O)C2CCC[N@H+]2C(C)C)C(=O)[O-])C=C1C	REAL300002572623	0	49	0.0	-57.04	372.85	9.36	-47.68
CC1=CC=C(C(NC(=O)C2CCC[N@@H+]2C(C)C)C(=O)[O-])C=C1C	REAL300002572623	1	49	0.0	-56.19	369.11	9.27	-46.92
CC1=CC=C(C(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])C=C1C	REAL300002572631	0	57	0.0	-84.66	452.87	11.69	-72.97
CC1=CC=C(C(NC(=O)COC2CC[NH+](C)CC2)C(=O)[O-])C=C1C	REAL300002572644	0	50	0.0	-78.66	390.34	9.30	-69.36
CC1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(=O)[O-])C=C1C	REAL300002572649	0	53	0.0	-79.24	416.93	10.92	-68.32
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C1	REAL300002572803	0	52	0.0	-58.29	388.25	10.46	-47.83
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C1	REAL300002572803	1	52	0.0	-58.31	388.94	10.49	-47.82
CC1=CC=C(C(NC(=O)C[NH+]2CCC(CO)CC2)C(=O)[O-])C=C1C	REAL300002572830	1	50	0.0	-59.38	384.58	6.43	-52.95
CC1=CC=C(C(NC(=O)C2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C=C1C	REAL300002573018	0	52	0.0	-65.29	389.64	10.03	-55.26
CC1=CC=C(C(NC(=O)C2CCC[N@H+](C(C)C)C2)C(=O)[O-])C=C1C	REAL300002573018	1	52	0.0	-64.62	389.89	9.96	-54.66
CC1=CC=C(C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(=O)[O-])C=C1C	REAL300002573019	0	46	0.0	-72.20	374.33	8.99	-63.21
CC1=CC=C(C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C(=O)[O-])C=C1C	REAL300002573019	1	46	0.0	-61.46	368.38	8.65	-52.81
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)N1	REAL300002573042	1	47	0.0	-61.50	380.61	8.50	-53.00
CC1=CC=C(C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(=O)[O-])C=C1C	REAL300002573446	0	52	0.0	-79.87	411.03	11.54	-68.33
CC1=CC=C(C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])C=C1C	REAL300002573454	0	53	0.0	-85.59	418.72	10.54	-75.05
CC1=CC=C(C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])C=C1C	REAL300002573544	0	59	0.0	-70.78	450.73	13.10	-57.68
CC1=CC=C(C(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C(=O)[O-])C=C1C	REAL300002573546	1	57	0.0	-86.50	436.50	10.83	-75.67
CC1=CC=C(C(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C(=O)[O-])C=C1C	REAL300002573546	1	57	0.0	-86.83	436.34	10.90	-75.93
CC1=CC=C(C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C(=O)[O-])C=C1C	REAL300002573574	0	46	0.0	-67.91	360.59	8.91	-59.00
CC1=CC=C(C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(=O)[O-])C=C1C	REAL300002573578	0	52	0.0	-59.07	383.29	9.86	-49.21
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3=CC=C(C)C(C)=C3)=CN21	REAL300002573582	0	44	0.0	-67.59	362.37	10.53	-57.06
CC1=CC=C(C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)C(=O)[O-])C=C1C	REAL300002573633	0	55	0.0	-67.57	413.07	10.91	-56.66
CC1=CC=C(C(NC(=O)C2CCC[N@H+](CC(C)C)C2)C(=O)[O-])C=C1C	REAL300002573633	1	55	0.0	-58.63	405.33	11.14	-47.49
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C1	REAL300002573634	0	49	0.0	-65.27	373.91	9.47	-55.80
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(C)C(C)=C2)C1	REAL300002573634	1	49	0.0	-65.34	373.25	9.44	-55.90
CC1=CC=C(C(NC(=O)C2CCC[N@@H+](C)C2)C(=O)[O-])C=C1C	REAL300002573638	0	46	0.0	-58.72	349.10	9.07	-49.65
CC1=CC=C(C(NC(=O)C2CCC[N@H+](C)C2)C(=O)[O-])C=C1C	REAL300002573638	1	46	0.0	-67.62	356.26	8.81	-58.81
CC1=CC=C(C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C(=O)[O-])C=C1C	REAL300002573640	1	46	0.0	-79.18	374.25	8.96	-70.22
CC1=CC=C(C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(=O)[O-])C=C1C	REAL300002573648	0	48	0.0	-62.33	364.73	9.62	-52.71
CC1=CC=C(C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(=O)[O-])C=C1C	REAL300002573648	1	48	0.0	-62.24	375.00	9.88	-52.36
O=C([O-])CC(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300002575085	0	53	0.0	-63.75	409.14	12.25	-51.50
CC1=[NH+]C=C2CCC(C(=O)NC(CC(=O)[O-])C3=CC4=CC=CC=C4C=C3)CN21	REAL300002575108	1	51	0.0	-57.81	407.64	12.02	-45.79
C[NH+](C)CC(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002575161	0	42	0.0	-57.10	339.95	9.40	-47.70
CC(C(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1)N1CC[NH+](C)CC1	REAL300002575162	1	54	0.0	-75.27	406.51	8.45	-66.82
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002575189	0	49	0.0	-56.78	382.11	10.86	-45.92
C[N@H+]1CCCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002575189	1	49	0.0	-68.35	365.83	10.00	-58.35
C[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300002575229	0	49	0.0	-69.71	384.55	10.97	-58.74
O=C([O-])CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC2=CC=CC=C2C=C1	REAL300002575256	0	44	0.0	-66.74	370.31	12.78	-53.96
C[NH+](C)CC1(C(=O)NC(CC(=O)[O-])C2=CC3=CC=CC=C3C=C2)CCCCC1	REAL300002575280	0	58	0.0	-71.97	409.01	14.18	-57.79
C[N@H+](CCC(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CCCCC1	REAL300002575284	0	58	0.0	-62.79	438.35	12.97	-49.82
C[N@@H+](CCC(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CCCCC1	REAL300002575284	1	58	0.0	-61.31	438.58	12.88	-48.43
C[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002575296	0	46	0.0	-66.81	358.82	9.58	-57.23
C[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002575296	1	46	0.0	-67.27	359.19	9.66	-57.61
C[NH+]1CCC(C(=O)NC(CC(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300002575339	0	49	0.0	-69.71	384.55	10.97	-58.74
CC1=[NH+]C=CN1CCCC(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002575373	1	50	0.0	-61.36	410.94	12.32	-49.04
O=C([O-])CC(NC(=O)CCCC[NH+]1CCOCC1)C1=CC2=CC=CC=C2C=C1	REAL300002575374	1	56	0.0	-71.37	438.20	10.98	-60.39
C[C@@H](C(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1)[NH+](C)C	REAL300002575378	0	45	0.0	-69.50	351.58	9.00	-60.50
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002575379	0	46	0.0	-57.71	360.08	9.97	-47.74
C[N@H+]1CCC[C@@H]1C(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002575379	1	46	0.0	-67.22	357.84	9.67	-57.55
C[C@H](C(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1)[NH+](C)C	REAL300002575382	0	45	0.0	-69.17	351.35	9.01	-60.16
CCC(C(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1)[NH+](CC)CC	REAL300002575435	0	54	0.0	-48.39	406.42	11.67	-36.72
CC(C(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002575437	0	55	0.0	-57.05	435.06	13.25	-43.80
CC(C(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002575437	1	55	0.0	-58.35	435.12	13.26	-45.09
C[NH+](C)CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=N1	REAL300002575450	0	51	0.0	-73.31	413.90	11.03	-62.28
CCC[NH+](CCC)CCCC(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002575452	0	60	0.0	-65.26	462.37	13.47	-51.79
C[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300002575453	1	47	0.0	-86.03	370.69	9.03	-77.00
C[N@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300002575453	1	47	0.0	-85.79	370.12	9.07	-76.72
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002575461	1	50	0.0	-53.59	396.47	12.33	-41.26
C[NH+](C)CC1(C(=O)NC(CC(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300002575474	0	49	0.0	-69.10	383.71	11.53	-57.57
C[NH+](C)CCCCC(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002575479	0	51	0.0	-70.27	405.31	11.52	-58.75
O=C([O-])CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=CC2=CC=CC=C2C=C1	REAL300002575498	1	52	0.0	-73.52	423.49	11.48	-62.04
C[NH+](C)CCC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1	REAL300002575499	0	55	0.0	-81.19	440.60	13.74	-67.45
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300002575503	1	48	0.0	-66.33	382.37	9.67	-56.66
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CCCC(C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002578818	0	49	0.0	-55.39	383.06	10.61	-44.78
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300002578827	0	50	0.0	-70.45	413.43	10.64	-59.81
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002578828	0	50	0.0	-57.53	405.31	10.00	-47.53
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CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)CC[N@@H+]1C	REAL300002578835	0	50	0.0	-61.60	384.94	10.45	-51.15
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)CC[N@H+]1C	REAL300002578835	1	50	0.0	-60.86	391.50	10.76	-50.10
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002578837	0	46	0.0	-52.58	377.14	10.64	-41.94
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CC1C[N@H+](C)CC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300002578841	1	48	0.0	-62.05	379.86	9.84	-52.21
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300002578841	1	48	0.0	-77.97	378.95	9.47	-68.50
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CC1=[NH+]C=CN1CC(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002578849	1	42	0.0	-50.12	358.80	10.45	-39.67
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002578851	0	51	0.0	-70.61	404.05	9.53	-61.08
CC1CC[NH+](CC(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300002578870	0	50	0.0	-55.78	394.48	11.31	-44.47
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002578881	1	48	0.0	-60.54	374.25	9.59	-50.95
CC[N@H+]1CCOC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002578881	1	48	0.0	-74.62	382.79	9.76	-64.86
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002578907	0	50	0.0	-61.18	394.13	10.95	-50.23
C[N@H+]1CCCC1CCC(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002578907	1	50	0.0	-53.76	393.94	11.25	-42.51
O=C([O-])[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C1=CC=C(Cl)C=C1	REAL300002578915	0	51	0.0	-61.44	378.07	10.47	-50.97
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002578917	0	48	0.0	-40.29	364.15	6.45	-33.84
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002578917	1	48	0.0	-55.73	370.79	6.06	-49.67
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CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002578922	0	54	0.0	-60.94	407.60	9.53	-51.41
CC[NH+](CC)CC(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002578934	0	46	0.0	-51.19	367.64	10.21	-40.98
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300002578936	0	53	0.0	-59.49	407.25	11.48	-48.01
O=C([O-])[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C1=CC=C(Cl)C=C1	REAL300002579003	0	45	0.0	-70.51	347.24	9.34	-61.17
CCC(C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002579006	0	46	0.0	-53.35	358.63	9.75	-43.60
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CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002579045	0	50	0.0	-50.05	378.26	10.48	-39.57
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300002579046	0	50	0.0	-66.07	403.67	11.83	-54.24
C[NH+](C)C1(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)CCC1	REAL300002579074	0	47	0.0	-55.93	361.74	9.73	-46.20
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300002579091	0	49	0.0	-63.88	397.61	11.44	-52.44
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002579092	0	53	0.0	-52.79	412.06	11.83	-40.96
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002579092	1	53	0.0	-46.15	410.17	11.80	-34.35
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002579093	0	50	0.0	-58.83	404.22	11.98	-46.85
CC[NH+]1CCN(CCC(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300002579094	0	55	0.0	-62.24	430.20	9.54	-52.70
CCN1CC[NH+](CCC(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300002579094	1	55	0.0	-60.60	430.87	9.57	-51.03
CC(C)[N@H+](C)CC(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002579095	0	46	0.0	-49.65	366.51	10.08	-39.57
CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002579095	1	46	0.0	-51.11	366.52	10.08	-41.03
CC(C)C(C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300002579096	0	56	0.0	-51.74	418.35	12.28	-39.46
C[NH+](C)C(C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300002579097	1	50	0.0	-53.00	403.99	12.17	-40.83
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002579102	1	51	0.0	-54.45	417.75	12.07	-42.38
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300002579107	0	54	0.0	-52.93	393.86	12.37	-40.56
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300002579107	1	54	0.0	-53.31	416.66	12.24	-41.07
CC[N@H+](CC(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1)C1CC1	REAL300002579109	0	47	0.0	-48.23	379.03	10.90	-37.33
CC[N@@H+](CC(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1)C1CC1	REAL300002579109	1	47	0.0	-51.85	378.36	10.85	-41.00
CC(C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300002579124	0	53	0.0	-48.86	398.79	11.26	-37.60
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002579127	0	44	0.0	-54.35	354.99	9.65	-44.70
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002579127	1	44	0.0	-54.66	349.00	9.36	-45.30
CC(C)(C)[NH2+]CC(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002579176	0	46	0.0	-52.52	370.53	8.57	-43.95
O=C([O-])[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300002579177	0	53	0.0	-62.80	421.99	12.12	-50.68
C[N@H+](CC(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002579179	1	50	0.0	-60.14	408.94	12.48	-47.66
C[N@@H+](CC(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002579179	1	50	0.0	-54.51	408.81	12.48	-42.03
CC(C)[C@@H](C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002579186	0	49	0.0	-53.99	373.67	10.52	-43.47
O=C([O-])[C@@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300002579200	1	45	0.0	-71.28	384.58	9.94	-61.34
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)=NO1	REAL300002579212	1	46	0.0	-71.00	387.78	10.01	-60.99
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002579222	0	50	0.0	-44.61	380.72	11.14	-33.47
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002579222	1	50	0.0	-48.95	387.13	10.84	-38.11
C[NH+]1CCC(OCC(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300002579239	0	51	0.0	-66.54	412.18	11.06	-55.48
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002579352	0	53	0.0	-56.83	411.84	11.66	-45.17
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002579352	1	53	0.0	-68.86	413.70	11.79	-57.07
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002579371	0	53	0.0	-53.87	413.56	11.85	-42.02
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(Cl)C=C2)[C@H](C(=O)[O-])C1	REAL300002579371	1	53	0.0	-61.36	415.42	11.92	-49.44
O=C([O-])[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300002579372	0	51	0.0	-58.05	406.39	8.08	-49.97
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002579523	0	53	0.0	-54.04	401.10	11.58	-42.46
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002579523	1	53	0.0	-51.69	400.81	11.40	-40.29
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)N1	REAL300002579542	1	48	0.0	-52.27	401.81	10.16	-42.11
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002579948	0	47	0.0	-60.52	381.26	10.57	-49.95
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300002579952	0	53	0.0	-58.58	400.69	11.30	-47.28
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002579995	0	56	0.0	-53.47	421.23	12.49	-40.98
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002579995	1	56	0.0	-53.47	421.23	12.49	-40.98
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002579996	0	50	0.0	-60.74	384.63	11.13	-49.61
CC[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002579996	1	50	0.0	-60.74	384.63	11.13	-49.61
C[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002580001	0	47	0.0	-55.25	365.95	10.36	-44.89
C[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002580001	1	47	0.0	-53.58	366.49	10.24	-43.34
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300002580003	1	47	0.0	-62.56	393.28	10.76	-51.80
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002580009	0	56	0.0	-62.49	408.50	10.97	-51.52
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C3=CC=C(Cl)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002580009	1	56	0.0	-65.71	412.10	12.05	-53.66
O=C([O-])[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300002580012	0	49	0.0	-50.36	385.85	11.35	-39.01
O=C([O-])[C@@H]1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300002580012	1	49	0.0	-51.27	384.48	12.66	-38.61
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=C(F)C(F)=C3)CC2)C1	REAL300002580094	0	50	0.0	-49.24	377.21	10.63	-38.61
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=C(F)C(F)=C3)CC2)C1	REAL300002580094	1	50	0.0	-52.41	384.64	11.09	-41.32
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(N3N=CC=C3C(F)(F)F)C=C2)C1	REAL300002580208	0	47	0.0	-55.71	384.16	9.14	-46.57
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(N3N=CC=C3C(F)(F)F)C=C2)C1	REAL300002580208	1	47	0.0	-54.97	376.33	9.13	-45.84
COCC1=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=CC(C(=O)[O-])=C1	REAL300002581411	0	54	0.0	-89.62	425.86	10.42	-79.20
COCC1=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300002582082	0	51	0.0	-78.23	402.08	9.36	-68.87
COCC1=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300002582082	1	51	0.0	-79.60	406.72	9.81	-69.79
COCC1=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=CC(C(=O)[O-])=C1	REAL300002583007	0	48	0.0	-85.33	378.09	8.26	-77.07
COCC1=CC(NC(=O)C2CCC[N@@H+]2C2CC2)=CC(C(=O)[O-])=C1	REAL300002583034	0	45	0.0	-74.10	362.01	7.71	-66.39
COCC1=CC(NC(=O)C2CCC[N@H+]2C2CC2)=CC(C(=O)[O-])=C1	REAL300002583034	1	45	0.0	-75.09	356.55	7.57	-67.52
COCC1=CC(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)=CC(C(=O)[O-])=C1	REAL300002583040	1	46	0.0	-75.41	372.62	7.94	-67.47
COCC1=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300002583041	0	54	0.0	-76.31	419.66	9.90	-66.41
COCC1=CC(NC(=O)C2CCCC[N@@H+]2C)=CC(C(=O)[O-])=C1	REAL300002583123	1	44	0.0	-76.44	346.37	6.80	-69.64
COCC1=CC(NC(=O)C2CCCC[N@H+]2C)=CC(C(=O)[O-])=C1	REAL300002583123	1	44	0.0	-76.54	346.15	6.82	-69.72
COCC1=CC(NC(=O)C(C)N2CC[NH+](C)CC2)=CC(C(=O)[O-])=C1	REAL300002583124	1	49	0.0	-80.71	375.18	5.00	-75.71
COCC1=CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)=CC(C(=O)[O-])=C1	REAL300002583168	1	44	0.0	-78.11	336.56	6.63	-71.48
COCC1=CC(NC(=O)[C@@H]2CCCC[N@H+]2C)=CC(C(=O)[O-])=C1	REAL300002583168	1	44	0.0	-76.44	346.06	6.81	-69.63
COCC1=CC(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)=CC(C(=O)[O-])=C1	REAL300002583226	0	57	0.0	-83.56	437.95	10.84	-72.72
COCC1=CC(NC(=O)C2CC[NH+](C)CC2)=CC(C(=O)[O-])=C1	REAL300002583260	0	44	0.0	-88.14	348.55	6.87	-81.27
COCC1=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=CC(C(=O)[O-])=C1	REAL300002583286	0	39	0.0	-82.59	334.63	8.71	-73.88
COCC1=CC(NC(=O)C2(C[NH+](C)C)CCCCC2)=CC(C(=O)[O-])=C1	REAL300002583320	0	53	0.0	-81.12	392.14	8.61	-72.51
COCC1=CC(NC(=O)CC[N@H+](C)C2CCCCC2)=CC(C(=O)[O-])=C1	REAL300002583325	0	53	0.0	-84.17	402.58	8.81	-75.36
COCC1=CC(NC(=O)CC[N@@H+](C)C2CCCCC2)=CC(C(=O)[O-])=C1	REAL300002583325	1	53	0.0	-83.83	402.59	8.80	-75.03
COCC1=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)=CC(C(=O)[O-])=C1	REAL300002583343	1	51	0.0	-81.69	408.50	9.42	-72.27
COCC1=CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=CC(C(=O)[O-])=C1	REAL300002583343	1	51	0.0	-83.54	414.48	9.95	-73.59
COCC1=CC(NC(=O)C2CC[NH+](C)CC2)=CC(C(=O)[O-])=C1	REAL300002583397	0	44	0.0	-88.14	348.55	6.87	-81.27
COCC1=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=CC(C(=O)[O-])=C1	REAL300002583402	0	47	0.0	-92.25	393.56	7.82	-84.43
COCC1=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=CC(C(=O)[O-])=C1	REAL300002583426	0	54	0.0	-66.90	400.94	8.96	-57.94
COCC1=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=CC(C(=O)[O-])=C1	REAL300002583426	1	54	0.0	-75.76	397.10	9.13	-66.63
COCC1=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=CC(C(=O)[O-])=C1	REAL300002583427	0	55	0.0	-90.92	415.98	7.47	-83.45
COCC1=CC(NC(=O)CCCN2C=C[NH+]=C2C)=CC(C(=O)[O-])=C1	REAL300002583460	1	45	0.0	-80.44	375.14	8.12	-72.32
COCC1=CC(NC(=O)CCCC[NH+]2CCOCC2)=CC(C(=O)[O-])=C1	REAL300002583461	1	51	0.0	-87.36	402.44	6.81	-80.55
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300002583464	0	56	0.0	-92.37	424.68	10.10	-82.27
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300002583464	1	56	0.0	-94.80	422.72	10.07	-84.73
COCC1=CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300002583513	0	51	0.0	-81.23	407.58	9.58	-71.65
COCC1=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300002583513	1	51	0.0	-82.14	409.16	9.66	-72.48
COCC1=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=CC(C(=O)[O-])=C1	REAL300002583514	0	52	0.0	-92.45	402.88	8.77	-83.68
COCC1=CC(NC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)=CC(C(=O)[O-])=C1	REAL300002583541	1	56	0.0	-76.37	437.95	8.52	-67.85
COCC1=CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=CC(C(=O)[O-])=C1	REAL300002583542	0	55	0.0	-85.60	397.39	6.87	-78.73
CCC(C(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1)[NH+](CC)CC	REAL300002583546	0	49	0.0	-72.09	367.40	7.31	-64.78
COCC1=CC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300002583548	1	50	0.0	-80.75	397.82	9.24	-71.51
COCC1=CC(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300002583548	1	50	0.0	-72.99	398.27	9.25	-63.74
COCC1=CC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300002583560	0	57	0.0	-85.69	448.07	11.26	-74.43
COCC1=CC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300002583560	1	57	0.0	-75.61	441.63	11.44	-64.17
COCC1=CC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)=CC(C(=O)[O-])=C1	REAL300002583582	0	46	0.0	-90.28	378.13	6.85	-83.43
CCC[NH+](CCC)CCCC(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300002583591	0	55	0.0	-83.04	426.15	9.44	-73.60
COCC1=CC(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)=CC(C(=O)[O-])=C1	REAL300002583592	1	55	0.0	-79.98	432.31	7.15	-72.83
CC[N@H+](C)C(C(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300002583593	1	50	0.0	-66.77	396.69	9.36	-57.41
CC[N@@H+](C)C(C(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300002583593	1	50	0.0	-71.41	396.94	9.33	-62.08
COCC1=CC(NC(=O)C2C[N@H+](C)CCO2)=CC(C(=O)[O-])=C1	REAL300002583595	1	42	0.0	-87.29	334.74	5.41	-81.88
COCC1=CC(NC(=O)C2C[N@@H+](C)CCO2)=CC(C(=O)[O-])=C1	REAL300002583595	1	42	0.0	-93.04	342.12	5.57	-87.47
CC[NH+](CC)C(C(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300002583598	0	53	0.0	-80.41	402.89	9.44	-70.97
COCC1=CC(NC(=O)CN2C=C[NH+]=C2C(C)C)=CC(C(=O)[O-])=C1	REAL300002583607	1	45	0.0	-68.46	369.94	7.95	-60.51
COCC1=CC(NC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)=CC(C(=O)[O-])=C1	REAL300002583612	1	47	0.0	-80.62	395.60	9.23	-71.39
COCC1=CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=CC(C(=O)[O-])=C1	REAL300002583625	0	51	0.0	-94.05	407.44	9.84	-84.21
COCC1=CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=CC(C(=O)[O-])=C1	REAL300002583633	0	54	0.0	-84.39	424.17	10.54	-73.85
COCC1=CC(NC(=O)C2(C[NH+](C)C)CC2)=CC(C(=O)[O-])=C1	REAL300002583640	0	44	0.0	-92.07	349.26	6.93	-85.14
COCC1=CC(NC(=O)CCCC[NH+](C)C)=CC(C(=O)[O-])=C1	REAL300002583650	0	46	0.0	-86.01	369.54	7.35	-78.66
COCC1=CC(NC(=O)C(C(C)C)[NH+](C)C)=CC(C(=O)[O-])=C1	REAL300002583659	0	46	0.0	-79.63	353.08	7.23	-72.40
COCC1=CC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=CC(C(=O)[O-])=C1	REAL300002583661	1	55	0.0	-95.83	431.71	9.64	-86.19
COCC1=CC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=CC(C(=O)[O-])=C1	REAL300002583661	1	55	0.0	-90.69	438.79	9.67	-81.02
COCC1=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300002583673	0	54	0.0	-78.74	413.14	10.18	-68.56
COCC1=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300002583673	1	54	0.0	-76.82	413.65	10.18	-66.64
COCC1=CC(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)=CC(C(=O)[O-])=C1	REAL300002583675	1	45	0.0	-89.46	378.37	7.08	-82.38
COCC1=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=CC(C(=O)[O-])=C1	REAL300002583683	0	54	0.0	-93.22	424.18	10.55	-82.67
COCC1=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=CC(C(=O)[O-])=C1	REAL300002583697	1	47	0.0	-85.27	387.87	7.32	-77.95
COCC1=CC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300002583698	0	50	0.0	-96.59	405.12	9.54	-87.05
COCC1=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=CC(C(=O)[O-])=C1	REAL300002583712	1	52	0.0	-92.25	411.46	8.97	-83.28
COCC1=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=CC(C(=O)[O-])=C1	REAL300002583712	1	52	0.0	-98.28	418.62	9.13	-89.15
COCC1=CC(NC(=O)C[N@H+](C)C2CCC2)=CC(C(=O)[O-])=C1	REAL300002583743	0	44	0.0	-76.45	350.70	7.20	-69.25
COCC1=CC(NC(=O)C[N@@H+](C)C2CCC2)=CC(C(=O)[O-])=C1	REAL300002583743	1	44	0.0	-76.02	350.55	7.19	-68.83
COCC1=CC(NC(=O)C[N@H+](C)CC(C)(C)C)=CC(C(=O)[O-])=C1	REAL300002583775	0	49	0.0	-79.41	374.21	7.76	-71.65
COCC1=CC(NC(=O)C[N@@H+](C)CC(C)(C)C)=CC(C(=O)[O-])=C1	REAL300002583775	1	49	0.0	-77.49	373.15	7.62	-69.87
COCC1=CC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300002583777	0	50	0.0	-81.39	403.60	9.64	-71.75
COCC1=CC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300002583777	1	50	0.0	-81.24	403.60	9.64	-71.60
COCCOCC[N@H+](C)CCC(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300002583778	0	54	0.0	-82.68	432.36	5.82	-76.86
COCCOCC[N@@H+](C)CCC(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300002583778	1	54	0.0	-84.90	432.35	5.84	-79.06
COCC1=CC(NC(=O)CC2(O)CCC[N@H+](C)C2)=CC(C(=O)[O-])=C1	REAL300002583783	0	48	0.0	-81.46	362.17	5.40	-76.06
COCC1=CC(NC(=O)CC2(O)CCC[N@@H+](C)C2)=CC(C(=O)[O-])=C1	REAL300002583783	1	48	0.0	-80.83	371.91	5.57	-75.26
CCCCCC[N@H+](C)CC(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300002583807	0	52	0.0	-79.68	408.19	8.95	-70.73
CCCCCC[N@@H+](C)CC(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300002583807	1	52	0.0	-79.71	408.19	8.95	-70.76
COCC1=CC(NC(=O)C23CCC[NH+]2CCC3)=CC(C(=O)[O-])=C1	REAL300002583817	0	45	0.0	-84.18	348.69	7.14	-77.04
COCC1=CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=CC(C(=O)[O-])=C1	REAL300002583825	1	39	0.0	-91.08	334.61	8.73	-82.35
COCC1=CC(NC(=O)C[N@H+](C)C2CCSC2)=CC(C(=O)[O-])=C1	REAL300002583841	1	45	0.0	-82.76	365.21	7.42	-75.34
COCC1=CC(NC(=O)C[N@@H+](C)C2CCSC2)=CC(C(=O)[O-])=C1	REAL300002583841	1	45	0.0	-84.25	363.94	7.44	-76.81
COCC1=CC(NC(=O)CCN2CC[NH+](C(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300002583858	0	55	0.0	-82.37	419.81	6.38	-75.99
COCC1=CC(NC(=O)CC[NH+]2CCN(C(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300002583858	1	55	0.0	-82.99	415.84	6.19	-76.80
COCC1=CC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300002583859	0	58	0.0	-80.90	441.02	7.19	-73.71
COCC1=CC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300002583859	1	58	0.0	-83.82	437.84	7.03	-76.79
COCC1=CC(NC(=O)C2CCCC3CCC[N@@H+]32)=CC(C(=O)[O-])=C1	REAL300002583860	0	48	0.0	-77.75	360.71	7.76	-69.99
COCC1=CC(NC(=O)C2CCCC3CCC[N@H+]32)=CC(C(=O)[O-])=C1	REAL300002583860	1	48	0.0	-70.78	360.52	7.75	-63.03
COCC1=CC(NC(=O)C2=CN(CC[NH+](C)C)N=C2)=CC(C(=O)[O-])=C1	REAL300002583862	0	47	0.0	-89.94	388.77	6.70	-83.24
COCC1=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=CC(C(=O)[O-])=C1	REAL300002583871	0	56	0.0	-87.47	436.97	8.55	-78.92
COCC1=CC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=CC(C(=O)[O-])=C1	REAL300002583874	0	53	0.0	-83.84	414.22	8.84	-75.00
COCC1=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=CC(C(=O)[O-])=C1	REAL300002583874	1	53	0.0	-82.73	413.99	8.81	-73.92
COCC1=CC(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)=CC(C(=O)[O-])=C1	REAL300002583879	1	51	0.0	-80.52	399.54	9.75	-70.77
COCC1=CC(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)=CC(C(=O)[O-])=C1	REAL300002583879	1	51	0.0	-72.20	399.43	9.70	-62.50
CCCC(C(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1)[NH+](C)C	REAL300002583900	0	46	0.0	-77.06	356.67	6.98	-70.08
COCC1=CC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300002583902	0	54	0.0	-88.81	429.95	10.40	-78.41
COCC1=CC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300002583902	1	54	0.0	-88.60	429.75	10.43	-78.17
COCC1=CC(NC(=O)C2=NN(CC[NH+](C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300002583917	0	47	0.0	-97.12	389.15	6.73	-90.39
COCC1=CC(NC(=O)C2=CC=NN2CC[NH+](C)C)=CC(C(=O)[O-])=C1	REAL300002583918	0	47	0.0	-91.40	379.53	7.03	-84.37
COCC1=CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)=CC(C(=O)[O-])=C1	REAL300002583924	0	44	0.0	-87.66	340.11	6.22	-81.44
COCC1=CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)=CC(C(=O)[O-])=C1	REAL300002583924	1	44	0.0	-86.66	346.75	6.49	-80.17
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300002583926	1	48	0.0	-76.48	390.13	8.43	-68.05
CC[C@@H]1[C@@H](C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)CC[N@@H+]1C	REAL300002583929	0	47	0.0	-81.78	361.23	6.85	-74.93
CC[C@@H]1[C@@H](C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)CC[N@H+]1C	REAL300002583929	1	47	0.0	-84.16	366.77	7.16	-77.00
COCC1=CC(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)=CC(C(=O)[O-])=C1	REAL300002583932	1	48	0.0	-85.42	385.39	5.79	-79.63
COCC1=CC(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)=CC(C(=O)[O-])=C1	REAL300002583932	1	48	0.0	-90.25	389.94	6.28	-83.97
COCC1=CC(NC(=O)C2C[N@H+](C)CC(C)O2)=CC(C(=O)[O-])=C1	REAL300002583941	1	45	0.0	-94.22	356.08	5.87	-88.35
COCC1=CC(NC(=O)C2C[N@@H+](C)CC(C)O2)=CC(C(=O)[O-])=C1	REAL300002583941	1	45	0.0	-93.85	363.34	6.30	-87.55
COCC1=CC(NC(=O)CN2C=C[NH+]=C2C)=CC(C(=O)[O-])=C1	REAL300002583951	1	39	0.0	-75.58	333.87	6.83	-68.75
COCC1=CC(NC(=O)C(C)C[NH+]2CCOCC2)=CC(C(=O)[O-])=C1	REAL300002583953	0	48	0.0	-82.65	375.73	5.96	-76.69
COCC1=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)=CC(C(=O)[O-])=C1	REAL300002583954	0	55	0.0	-87.40	434.73	7.97	-79.43
COCC1=CC(NC(=O)C[NH+]2CCC(C)CC2)=CC(C(=O)[O-])=C1	REAL300002583969	0	47	0.0	-80.84	367.23	7.70	-73.14
CC[N@@H+]1CCOC(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)C1	REAL300002583983	1	45	0.0	-93.32	359.05	6.22	-87.10
CC[N@H+]1CCOC(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)C1	REAL300002583983	1	45	0.0	-87.34	352.19	6.05	-81.29
COCC1=CC(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)=CC(C(=O)[O-])=C1	REAL300002584022	1	54	0.0	-88.06	426.63	8.75	-79.31
COCC1=CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=CC(C(=O)[O-])=C1	REAL300002584023	0	54	0.0	-82.78	410.18	9.14	-73.64
COCC1=CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)=CC(C(=O)[O-])=C1	REAL300002584023	1	54	0.0	-81.51	409.79	9.12	-72.39
COCC1=CC(NC(=O)CCC2CCC[N@@H+]2C)=CC(C(=O)[O-])=C1	REAL300002584030	0	47	0.0	-81.00	365.82	7.23	-73.77
COCC1=CC(NC(=O)CCC2CCC[N@H+]2C)=CC(C(=O)[O-])=C1	REAL300002584030	1	47	0.0	-86.80	368.04	7.55	-79.25
COCC1=CC(NC(=O)C23CCC[NH+](CCC2)C3)=CC(C(=O)[O-])=C1	REAL300002584043	0	48	0.0	-81.76	361.64	7.40	-74.36
COCC1=CC(NC(=O)C2(C)CC(O)C[N@@H+]2C)=CC(C(=O)[O-])=C1	REAL300002584045	1	45	0.0	-93.26	350.73	3.53	-89.73
COCC1=CC(NC(=O)C2(C)CC(O)C[N@H+]2C)=CC(C(=O)[O-])=C1	REAL300002584045	1	45	0.0	-84.44	352.01	3.37	-81.07
COCC1=CC(NC(=O)C2CCC3CCCC[N@@H+]32)=CC(C(=O)[O-])=C1	REAL300002584046	0	48	0.0	-72.96	372.33	8.15	-64.81
COCC1=CC(NC(=O)C2CCC3CCCC[N@H+]32)=CC(C(=O)[O-])=C1	REAL300002584046	1	48	0.0	-72.97	372.25	8.14	-64.83
COCC1=CC(NC(=O)C(C)(C)C[NH+]2CCOCC2)=CC(C(=O)[O-])=C1	REAL300002584053	0	51	0.0	-79.76	384.90	6.23	-73.53
COCC1=CC(NC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)=CC(C(=O)[O-])=C1	REAL300002584058	0	54	0.0	-97.12	428.45	8.03	-89.09
COCC1=CC(NC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)=CC(C(=O)[O-])=C1	REAL300002584058	1	54	0.0	-88.05	410.96	7.35	-80.70
COCC1=CC(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)=CC(C(=O)[O-])=C1	REAL300002584062	0	56	0.0	-83.99	441.29	8.11	-75.88
COCC1=CC(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)=CC(C(=O)[O-])=C1	REAL300002584063	0	56	0.0	-88.94	441.24	8.11	-80.83
COCC1=CC(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)=CC(C(=O)[O-])=C1	REAL300002584063	1	56	0.0	-94.14	440.70	8.00	-86.14
COCC1=CC(NC(=O)C2CC[NH+](C(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300002584072	0	50	0.0	-83.30	380.02	7.81	-75.49
COCC1=CC(NC(=O)C23CC[NH+](CC2)C3)=CC(C(=O)[O-])=C1	REAL300002584154	0	42	0.0	-85.18	335.80	5.73	-79.45
COCC1=CC(NC(=O)C23CC[N@H+](C2)CCC3)=CC(C(=O)[O-])=C1	REAL300002584164	0	45	0.0	-83.09	346.39	6.42	-76.67
COCC1=CC(NC(=O)C23CC[N@@H+](C2)CCC3)=CC(C(=O)[O-])=C1	REAL300002584164	1	45	0.0	-83.01	346.47	6.42	-76.59
COCC1=CC(NC(=O)C[NH+]2C(C)CCC2C)=CC(C(=O)[O-])=C1	REAL300002584213	0	47	0.0	-75.28	361.72	7.08	-68.20
COCC1=CC(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)=CC(C(=O)[O-])=C1	REAL300002584214	0	47	0.0	-84.19	382.66	8.69	-75.50
COCC1=CC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300002584215	0	54	0.0	-77.68	419.28	10.61	-67.07
COCC1=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300002584215	1	54	0.0	-76.52	419.08	10.57	-65.95
COCC1=CC(NC(=O)C2([NH+](C)C)CCC2)=CC(C(=O)[O-])=C1	REAL300002584255	0	44	0.0	-88.06	336.85	6.34	-81.72
C#CC[NH+]1CCC(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)CC1	REAL300002584289	0	46	0.0	-88.07	373.49	8.01	-80.06
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300002584291	0	50	0.0	-76.01	385.04	8.23	-67.78
CCC[N@H+]1CCCCC1C(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300002584291	1	50	0.0	-77.67	375.95	8.02	-69.65
COCC1=CC(NC(=O)C2=CC=CC=C2C[NH+](C)C)=CC(C(=O)[O-])=C1	REAL300002584292	0	47	0.0	-59.49	375.29	8.92	-50.57
CC[NH+]1CCN(CCC(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)CC1	REAL300002584294	0	52	0.0	-86.46	401.91	5.72	-80.74
CCN1CC[NH+](CCC(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)CC1	REAL300002584294	1	52	0.0	-83.33	402.78	5.87	-77.46
COCC1=CC(NC(=O)C(C(C)C)[NH+]2CCCCC2)=CC(C(=O)[O-])=C1	REAL300002584296	0	53	0.0	-72.88	394.29	9.14	-63.74
COCC1=CC(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)=CC(C(=O)[O-])=C1	REAL300002584297	1	47	0.0	-76.92	378.82	8.70	-68.22
COCC1=CC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300002584301	0	52	0.0	-78.59	417.74	6.68	-71.91
COCC1=CC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300002584301	1	52	0.0	-79.01	417.31	6.62	-72.39
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COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)[C@@H]1CCCC[N@H+]1C	REAL300002588364	1	47	0.0	-75.17	366.93	7.31	-67.86
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COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)CC[N@@H+](C)C1CCCCC1	REAL300002588520	1	56	0.0	-81.63	423.39	9.31	-72.32
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COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1CCC[N@H+]1C	REAL300002588537	1	44	0.0	-78.41	344.98	6.27	-72.14
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1CC[NH+](C)CC1	REAL300002588593	0	47	0.0	-84.48	369.55	7.38	-77.10
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COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300002588617	0	57	0.0	-73.88	422.93	9.52	-64.36
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300002588617	1	57	0.0	-73.07	422.51	9.53	-63.54
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COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)CCCN1C=C[NH+]=C1C	REAL300002588654	1	48	0.0	-77.35	395.94	8.62	-68.73
COC1=CC(C(=O)[O-])=CC=C1CCNC(=O)CCCC[NH+]1CCOCC1	REAL300002588655	1	54	0.0	-83.89	423.24	7.31	-76.58
CC[N@H+](CC1=CC=C(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=C1)C(C)C	REAL300002588658	0	59	0.0	-87.41	444.28	10.66	-76.75
CC[N@@H+](CC1=CC=C(C(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=C1)C(C)C	REAL300002588658	1	59	0.0	-86.12	443.26	10.57	-75.55
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CC[C@@H](C(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1)[NH+](C)C	REAL300002592904	0	45	0.0	-51.93	351.49	9.73	-42.20
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C[N@H+](CC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1)C1CCSC1	REAL300002592940	0	47	0.0	-53.43	385.16	11.04	-42.39
C[N@@H+](CC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1)C1CCSC1	REAL300002592940	1	47	0.0	-55.72	384.99	11.05	-44.67
CC(C)[NH+]1CCN(CCC(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)CC1	REAL300002592954	0	57	0.0	-54.87	441.06	10.02	-44.85
CC(C)N1CC[NH+](CCC(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)CC1	REAL300002592954	1	57	0.0	-54.16	437.38	9.81	-44.35
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300002592955	0	50	0.0	-42.58	371.54	10.67	-31.91
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1CCCC2CCC[N@H+]21	REAL300002592955	1	50	0.0	-46.06	377.60	10.96	-35.10
C[NH+](C)CCN1C=C(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C=N1	REAL300002592956	0	49	0.0	-51.84	396.52	9.61	-42.23
C[NH+](C)CCN1C=CC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)=N1	REAL300002592984	0	49	0.0	-58.91	402.49	10.59	-48.32
C[NH+](C)CCN1N=CC=C1C(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002592985	0	49	0.0	-63.89	395.91	9.85	-54.04
C[C@@H]1[C@H](C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)CC[N@@H+]1C	REAL300002592987	0	46	0.0	-54.66	359.05	9.70	-44.96
C[C@@H]1[C@H](C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)CC[N@H+]1C	REAL300002592987	1	46	0.0	-53.02	363.88	9.94	-43.08
CCC1=[NH+]C=CN1C(C)CC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002592988	1	50	0.0	-49.45	411.65	12.06	-37.39
CC[C@@H]1[C@@H](C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)CC[N@@H+]1C	REAL300002592991	0	49	0.0	-57.13	383.00	10.46	-46.67
CC[C@@H]1[C@@H](C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)CC[N@H+]1C	REAL300002592991	1	49	0.0	-82.89	379.04	10.58	-72.31
C[N@@H+]1CCCC1C1=CC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)=NN1	REAL300002592993	1	50	0.0	-64.15	404.10	10.08	-54.07
C[N@H+]1CCCC1C1=CC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)=NN1	REAL300002592993	1	50	0.0	-66.08	404.52	10.07	-56.01
CC1C[N@H+](C)CC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)O1	REAL300002592998	1	47	0.0	-54.17	382.82	9.90	-44.27
CC1C[N@@H+](C)CC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)O1	REAL300002592998	1	47	0.0	-54.01	373.29	9.39	-44.62
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C[NH+]1CCCC1	REAL300002593003	0	43	0.0	-50.62	351.19	9.94	-40.68
CC1=[NH+]C=CN1CC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002593005	1	41	0.0	-48.24	355.09	10.41	-37.83
CC(C[NH+]1CCOCC1)C(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002593007	0	50	0.0	-55.47	396.45	9.41	-46.06
CC1CC[NH+](CC(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)CC1	REAL300002593026	0	49	0.0	-50.57	388.49	11.29	-39.28
CC[N@@H+]1CCOC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C1	REAL300002593037	1	47	0.0	-54.19	371.94	9.53	-44.66
CC[N@H+]1CCOC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C1	REAL300002593037	1	47	0.0	-48.42	369.23	9.52	-38.90
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002593063	0	56	0.0	-53.36	427.72	12.61	-40.75
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002593063	1	56	0.0	-52.40	423.49	12.45	-39.95
C[N@@H+]1CCCC1CCC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002593068	0	49	0.0	-56.91	387.61	10.87	-46.04
C[N@H+]1CCCC1CCC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002593068	1	49	0.0	-54.34	387.63	10.88	-43.46
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300002593077	0	50	0.0	-47.98	384.78	11.22	-36.76
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1CCC2CCCC[N@H+]21	REAL300002593077	1	50	0.0	-44.13	386.27	11.30	-32.83
CC[NH+](CC)CC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002593096	0	45	0.0	-50.54	357.34	9.88	-40.66
CC(C)[NH+]1CCC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)CC1	REAL300002593098	0	52	0.0	-54.14	397.55	11.23	-42.91
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C12CC[NH+](CC1)C2	REAL300002593162	0	44	0.0	-55.08	343.61	8.87	-46.21
CCC(C(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1)[NH+](C)C	REAL300002593165	0	45	0.0	-52.16	354.06	9.77	-42.39
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C12CC[N@H+](C1)CCC2	REAL300002593172	0	47	0.0	-54.62	354.84	9.57	-45.05
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300002593172	1	47	0.0	-49.67	354.36	9.45	-40.22
CC1CCC(C)[NH+]1CC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002593204	0	49	0.0	-47.73	382.87	10.71	-37.02
C[NH+](C)CC1=CC=CC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)=C1	REAL300002593205	0	49	0.0	-66.32	399.29	11.91	-54.41
C#CC[NH+]1CCC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)CC1	REAL300002593244	0	48	0.0	-57.02	391.55	11.44	-45.58
CC[NH+]1CCN(CCC(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)CC1	REAL300002593246	0	54	0.0	-57.07	423.15	9.36	-47.71
CCN1CC[NH+](CCC(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)CC1	REAL300002593246	1	54	0.0	-53.90	424.32	9.51	-44.39
CC(C)[N@H+](C)CC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002593247	0	45	0.0	-50.29	360.09	9.99	-40.30
CC(C)[N@@H+](C)CC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002593247	1	45	0.0	-50.28	360.12	10.00	-40.28
CC(C)C1=[NH+]C=CN1CCC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002593251	1	50	0.0	-49.62	411.12	12.00	-37.62
CC[N@H+](CC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1)C1CC1	REAL300002593257	0	46	0.0	-49.86	372.07	10.78	-39.08
CC[N@@H+](CC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1)C1CC1	REAL300002593257	1	46	0.0	-49.57	371.93	10.82	-38.75
CC(C(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1)[NH+]1CCCCCC1	REAL300002593273	0	52	0.0	-45.83	391.72	11.41	-34.42
C[N@@H+]1CCC[C@H]1C(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002593276	0	43	0.0	-50.99	349.25	9.69	-41.30
C[N@H+]1CCC[C@H]1C(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002593276	1	43	0.0	-50.84	345.60	9.35	-41.49
CC(C)(C)[NH2+]CC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002593327	0	45	0.0	-51.78	364.70	8.52	-43.26
CC[NH+](CC)CC1=CC=C(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)O1	REAL300002593328	0	52	0.0	-51.63	417.82	11.97	-39.66
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)CCCC[NH+]1CCCC1	REAL300002593329	0	52	0.0	-57.45	417.00	12.16	-45.29
C[N@H+](CC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1)CC1=CC=CC=C1	REAL300002593331	1	49	0.0	-53.16	402.36	12.40	-40.76
C[N@@H+](CC(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1)CC1=CC=CC=C1	REAL300002593331	1	49	0.0	-53.27	402.37	12.40	-40.87
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300002593353	1	44	0.0	-71.01	379.97	9.88	-61.13
C[NH+](C)CC1=CC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)=NO1	REAL300002593365	1	45	0.0	-69.19	381.78	10.28	-58.91
CC(C)[N@@H+]1CCCC1C(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002593376	0	49	0.0	-49.65	384.47	10.73	-38.92
CC(C)[N@H+]1CCCC1C(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300002593376	1	49	0.0	-44.84	374.84	10.90	-33.94
C[NH+]1CCC(OCC(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)CC1	REAL300002593391	0	50	0.0	-60.39	405.62	10.95	-49.44
CCC[N@@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C1	REAL300002593502	0	52	0.0	-49.14	397.41	11.84	-37.30
CCC[N@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C1	REAL300002593502	1	52	0.0	-50.40	394.15	11.67	-38.73
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C[NH+]1CCC(CO)CC1	REAL300002593519	0	50	0.0	-52.79	399.32	7.98	-44.81
CC(C)[N@@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C1	REAL300002593656	0	52	0.0	-48.02	392.58	11.61	-36.41
CC(C)[N@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C1	REAL300002593656	1	52	0.0	-73.82	387.41	11.32	-62.50
C[N@@H+]1CC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C(C(F)(F)F)C1	REAL300002593657	0	46	0.0	-69.60	368.91	10.00	-59.60
C[N@H+]1CC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C(C(F)(F)F)C1	REAL300002593657	1	46	0.0	-65.10	367.52	10.16	-54.94
CC1=C(C)[NH+]=C(CCC(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)N1	REAL300002593678	1	47	0.0	-49.78	395.95	10.14	-39.64
C[NH+](C)CCC1=CC=CC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)=C1	REAL300002593982	0	52	0.0	-70.50	414.75	12.44	-58.06
C[NH+](C)[C@H]1C[C@H](C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C1	REAL300002594082	0	46	0.0	-60.34	368.56	10.30	-50.04
C[NH+](C)[C@H]1CC[C@@H](C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)CC1	REAL300002594086	0	52	0.0	-62.77	388.78	11.09	-51.68
CC1=[NH+]C=C2C=CC(C(=O)N(CCC(=O)[O-])CC3=CC=C(F)C(F)=C3)=CN12	REAL300002594089	0	44	0.0	-51.69	383.26	11.98	-39.71
CC(C)C[N@@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C1	REAL300002594128	0	55	0.0	-51.44	418.95	12.14	-39.30
CC(C)C[N@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C1	REAL300002594128	1	55	0.0	-51.58	423.52	12.34	-39.24
CC[N@@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C1	REAL300002594129	0	49	0.0	-49.17	375.91	11.10	-38.07
CC[N@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C1	REAL300002594129	1	49	0.0	-53.59	377.64	11.12	-42.47
C[N@@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C1	REAL300002594134	0	46	0.0	-59.67	357.17	9.89	-49.78
C[N@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C1	REAL300002594134	1	46	0.0	-56.81	367.05	10.25	-46.56
C[NH+](C)CC1=CC=C(C(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)O1	REAL300002594136	1	46	0.0	-54.34	381.35	10.51	-43.83
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002594144	0	48	0.0	-41.17	377.93	11.09	-30.08
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300002594144	1	48	0.0	-41.77	355.51	10.90	-30.87
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300002595158	0	54	0.0	-83.48	426.62	9.28	-74.20
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1	REAL300002595725	0	51	0.0	-72.83	403.31	8.20	-64.63
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1	REAL300002595725	1	51	0.0	-72.33	403.52	8.20	-64.13
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C1	REAL300002596574	0	48	0.0	-75.82	374.70	6.93	-68.89
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=C1	REAL300002596599	1	45	0.0	-73.41	356.02	5.94	-67.47
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2CCC[N@H+]2C2CC2)C=C1	REAL300002596599	1	45	0.0	-72.67	356.33	5.94	-66.73
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C(=O)NCC(=O)[O-])C=C3)CN21	REAL300002596605	1	46	0.0	-68.23	373.91	6.80	-61.43
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=C1	REAL300002596606	0	54	0.0	-78.61	420.48	9.85	-68.76
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300002596686	1	44	0.0	-72.49	338.37	5.49	-67.00
C[N@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300002596686	1	44	0.0	-72.44	338.19	5.47	-66.97
CC(C(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300002596687	1	49	0.0	-72.65	378.95	3.90	-68.75
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300002596727	1	44	0.0	-70.89	347.34	5.68	-65.21
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300002596727	1	44	0.0	-72.44	338.18	5.46	-66.98
C[NH+]1CCC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)CC1	REAL300002596814	0	44	0.0	-78.00	350.62	5.72	-72.28
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1	REAL300002596844	0	39	0.0	-74.11	335.93	7.57	-66.54
C[NH+](C)CC1(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)CCCCC1	REAL300002596878	0	53	0.0	-76.87	387.68	7.55	-69.32
C[N@H+](CCC(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1)C1CCCCC1	REAL300002596883	0	53	0.0	-76.99	404.18	7.66	-69.33
C[N@@H+](CCC(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1)C1CCCCC1	REAL300002596883	1	53	0.0	-77.36	403.92	7.67	-69.69
C[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300002596900	1	41	0.0	-70.48	332.26	5.05	-65.43
C[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300002596900	1	41	0.0	-73.00	325.69	4.63	-68.37
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C=C1	REAL300002596905	1	51	0.0	-77.15	409.77	8.27	-68.88
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CC[N@@H+](CC(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1)C1CC1	REAL300002597840	1	44	0.0	-70.96	350.25	5.87	-65.09
CC(C(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1)[NH+]1CCCCCC1	REAL300002597868	0	50	0.0	-71.77	376.60	6.83	-64.94
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CC(C)(C)[NH2+]CC(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300002597957	0	43	0.0	-74.09	344.72	3.78	-70.31
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CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300002598024	1	54	0.0	-78.18	427.09	9.14	-69.04
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CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300002598037	1	47	0.0	-71.69	357.64	6.05	-65.64
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CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300002598250	0	50	0.0	-73.49	389.28	7.08	-66.41
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300002598250	1	50	0.0	-67.87	383.15	7.31	-60.56
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300002598281	0	50	0.0	-70.99	389.63	7.20	-63.79
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300002598281	1	50	0.0	-72.74	379.89	7.15	-65.59
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CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300002598507	0	50	0.0	-67.02	378.19	7.04	-59.98
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300002598507	1	50	0.0	-67.06	378.18	7.04	-60.02
C[N@@H+]1CC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300002598508	0	44	0.0	-83.56	369.67	5.79	-77.77
C[N@H+]1CC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300002598508	1	44	0.0	-80.38	363.17	5.58	-74.80
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)N1	REAL300002598534	1	45	0.0	-69.69	376.00	5.35	-64.34
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)=C1	REAL300002599021	0	50	0.0	-75.76	406.10	8.39	-67.37
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300002599028	0	51	0.0	-80.86	413.39	7.36	-73.50
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300002599165	0	44	0.0	-73.79	355.46	5.81	-67.98
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)CC1	REAL300002599169	0	50	0.0	-69.12	377.97	6.77	-62.35
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300002599234	0	53	0.0	-72.65	406.44	7.76	-64.89
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300002599234	1	53	0.0	-72.65	406.44	7.76	-64.89
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300002599235	0	47	0.0	-67.50	361.65	6.56	-60.94
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300002599235	1	47	0.0	-67.50	361.65	6.56	-60.94
C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300002599240	0	44	0.0	-67.53	343.99	5.91	-61.62
C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300002599240	1	44	0.0	-67.53	343.99	5.91	-61.62
CN(C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)O1	REAL300002599242	0	44	0.0	-79.38	370.02	5.89	-73.49
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)O1	REAL300002599242	1	44	0.0	-79.38	370.02	5.89	-73.49
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300002599248	0	53	0.0	-75.39	395.52	7.19	-68.20
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300002599248	1	53	0.0	-75.39	395.52	7.19	-68.20
O=C([O-])CNC(=O)C1=CC=C(NC(=O)C23CC(C2)CN3C2CC2)C=C1	REAL300002599251	0	46	0.0	-73.29	356.39	6.70	-66.59
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O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)=C2)C=C1	REAL300002600604	0	51	0.0	-86.90	413.90	11.46	-75.44
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3CCC[N@H+]3CC3=CC=CC=C3)=C2)C=C1	REAL300002600604	1	51	0.0	-85.31	406.48	10.85	-74.46
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3CC[NH+](C4CC4)CC3)=C2)C=C1	REAL300002601361	0	48	0.0	-79.30	378.03	9.57	-69.73
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3CCC[N@@H+]3C3CC3)=C2)C=C1	REAL300002601386	0	45	0.0	-73.86	361.19	9.04	-64.82
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3CCC[N@H+]3C3CC3)=C2)C=C1	REAL300002601386	1	45	0.0	-80.41	360.95	9.10	-71.31
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)CN21	REAL300002601392	1	46	0.0	-74.07	376.72	9.47	-64.60
C[N@@H+]1CCCCC1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002601467	0	44	0.0	-82.88	350.47	8.34	-74.54
C[N@H+]1CCCCC1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002601467	1	44	0.0	-79.08	341.22	8.14	-70.94
CC(C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)N1CC[NH+](C)CC1	REAL300002601468	1	49	0.0	-84.36	381.97	6.56	-77.80
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002601506	0	44	0.0	-82.83	350.48	8.35	-74.48
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002601506	1	44	0.0	-79.90	341.25	8.14	-71.76
C[NH+]1CCC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002601584	0	44	0.0	-81.96	353.20	8.38	-73.58
O=C([O-])C1=NN(C2=CC(NC(=O)C3=CN4C=[NH+]C=C4C=C3)=CC=C2)C=C1	REAL300002601614	0	39	0.0	-87.98	339.03	10.23	-77.75
C[NH+](C)CC1(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CCCCC1	REAL300002601645	0	53	0.0	-85.58	390.26	10.15	-75.43
C[N@H+](CCC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CCCCC1	REAL300002601650	0	53	0.0	-82.51	407.26	10.32	-72.19
C[N@@H+](CCC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CCCCC1	REAL300002601650	1	53	0.0	-81.22	406.97	10.34	-70.88
C[N@@H+]1CCCC1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002601665	0	41	0.0	-78.49	334.35	7.68	-70.81
C[N@H+]1CCCC1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002601665	1	41	0.0	-77.04	334.91	7.80	-69.24
C[NH+]1CCC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002601715	0	44	0.0	-81.96	353.20	8.38	-73.58
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CCC[NH+](CCC)CCCC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002601890	0	55	0.0	-85.88	426.94	10.66	-75.22
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CCC[N@H+](C)CC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002601987	0	43	0.0	-80.59	348.07	8.13	-72.46
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CC(C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002602130	1	51	0.0	-84.30	404.54	11.23	-73.07
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CCCC(C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)[NH+](C)C	REAL300002602147	0	46	0.0	-76.90	360.51	8.53	-68.37
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300002602161	0	47	0.0	-108.32	393.19	8.28	-100.04
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602162	0	47	0.0	-81.31	388.48	8.21	-73.10
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C[C@@H]1[C@H](C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC[N@H+]1C	REAL300002602165	1	44	0.0	-84.13	350.78	8.18	-75.95
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CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC[N@@H+]1C	REAL300002602170	0	47	0.0	-82.79	365.92	8.44	-74.35
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CC1C[N@H+](C)CC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300002602179	1	45	0.0	-86.50	360.98	7.81	-78.69
CC1C[N@@H+](C)CC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300002602179	1	45	0.0	-103.19	359.58	7.41	-95.78
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CC1=[NH+]C=CN1CC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602189	1	39	0.0	-76.16	338.27	8.35	-67.81
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602191	0	48	0.0	-86.71	380.35	7.45	-79.26
CC1CC[NH+](CC(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002602210	0	47	0.0	-80.69	371.73	9.22	-71.47
CC[N@@H+]1CCOC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002602221	1	45	0.0	-102.93	363.61	7.75	-95.18
CC[N@H+]1CCOC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002602221	1	45	0.0	-74.53	356.58	7.55	-66.98
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3CC[N@@H+](C4CCCCC4)C3)=C2)C=C1	REAL300002602257	0	54	0.0	-78.28	413.28	10.62	-67.66
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3CC[N@H+](C4CCCCC4)C3)=C2)C=C1	REAL300002602257	1	54	0.0	-86.98	414.12	10.66	-76.32
C[N@@H+]1CCCC1CCC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602263	0	47	0.0	-90.91	372.08	9.09	-81.82
C[N@H+]1CCCC1CCC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602263	1	47	0.0	-81.34	370.76	8.74	-72.60
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C34CCC[NH+](CCC3)C4)=C2)C=C1	REAL300002602275	0	48	0.0	-85.32	366.26	8.90	-76.42
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602277	1	45	0.0	-80.89	356.45	4.88	-76.01
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602277	1	45	0.0	-76.76	355.87	5.02	-71.74
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CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602285	0	51	0.0	-76.48	388.97	7.84	-68.64
CC[NH+](CC)CC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602300	0	43	0.0	-82.35	344.62	8.06	-74.29
CC(C)[NH+]1CCC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002602302	0	50	0.0	-78.46	387.76	9.56	-68.90
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CCC(C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)[NH+](C)C	REAL300002602385	0	43	0.0	-76.17	339.01	7.76	-68.41
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CC1CCC(C)[NH+]1CC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602437	0	47	0.0	-82.53	365.65	8.75	-73.78
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300002602438	0	47	0.0	-90.86	387.02	10.21	-80.65
C[NH+](C)C1(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CCC1	REAL300002602473	0	44	0.0	-78.32	343.16	8.63	-69.69
C#CC[NH+]1CCC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002602496	0	46	0.0	-83.77	377.87	9.53	-74.24
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602498	0	50	0.0	-73.61	389.75	9.73	-63.88
CCC[N@H+]1CCCCC1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602498	1	50	0.0	-74.52	390.25	9.71	-64.81
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602499	0	47	0.0	-69.98	379.55	10.52	-59.46
CC[NH+]1CCN(CCC(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002602501	0	52	0.0	-81.31	406.01	7.25	-74.06
CCN1CC[NH+](CCC(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002602501	1	52	0.0	-86.11	407.40	7.38	-78.73
CC(C)[N@H+](C)CC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602502	0	43	0.0	-77.05	342.98	7.94	-69.11
CC(C)[N@@H+](C)CC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602502	1	43	0.0	-77.06	342.99	7.94	-69.12
CC(C)C(C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)[NH+]1CCCCC1	REAL300002602503	0	53	0.0	-77.78	401.41	10.52	-67.26
C[NH+](C)C(C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1=CC=CC=C1	REAL300002602504	1	47	0.0	-75.25	383.16	10.23	-65.02
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602511	1	48	0.0	-74.56	393.96	9.88	-64.68
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3CCC[N@@H+]3C3CCCC3)=C2)C=C1	REAL300002602518	0	51	0.0	-74.94	395.56	10.32	-64.62
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3CCC[N@H+]3C3CCCC3)=C2)C=C1	REAL300002602518	1	51	0.0	-87.87	387.22	10.04	-77.83
CC[N@H+](CC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CC1	REAL300002602520	0	44	0.0	-75.76	357.16	8.78	-66.98
CC[N@@H+](CC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CC1	REAL300002602520	1	44	0.0	-80.60	353.58	8.52	-72.08
CC(C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)[NH+]1CCCCCC1	REAL300002602544	0	50	0.0	-81.41	376.79	9.65	-71.76
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602547	0	41	0.0	-76.15	334.46	7.76	-68.39
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602547	1	41	0.0	-80.53	328.79	7.30	-73.23
CC(C)(C)[NH2+]CC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602620	0	43	0.0	-81.14	347.74	6.45	-74.69
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300002602622	0	50	0.0	-98.04	408.93	9.92	-88.12
O=C([O-])C1=NN(C2=CC(NC(=O)CCCC[NH+]3CCCC3)=CC=C2)C=C1	REAL300002602623	0	50	0.0	-88.21	400.11	10.04	-78.17
C[N@H+](CC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)CC1=CC=CC=C1	REAL300002602625	1	47	0.0	-83.24	385.22	10.34	-72.90
C[N@@H+](CC(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)CC1=CC=CC=C1	REAL300002602625	1	47	0.0	-83.26	385.28	10.34	-72.92
CC(C)[C@@H](C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)[NH+](C)C	REAL300002602635	0	46	0.0	-80.64	357.44	8.92	-71.72
C[NH+](C)CC1=CC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=NO1	REAL300002602678	1	43	0.0	-95.43	367.62	7.78	-87.65
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602692	0	47	0.0	-74.63	370.84	8.91	-65.72
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602692	1	47	0.0	-87.02	361.44	8.85	-78.17
C[NH+]1CCC(OCC(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002602712	0	48	0.0	-97.28	388.74	8.74	-88.54
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C3=CC=C(C[NH+]4CCCCC4)O3)=C2)C=C1	REAL300002602716	0	51	0.0	-100.37	414.64	10.44	-89.93
CCC[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002602883	0	50	0.0	-77.65	386.22	9.97	-67.68
CCC[N@H+]1CCCC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002602883	1	50	0.0	-79.70	392.53	9.76	-69.94
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602911	0	50	0.0	-86.31	383.38	9.78	-76.53
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300002602911	1	50	0.0	-75.84	393.11	9.81	-66.03
O=C([O-])C1=NN(C2=CC(NC(=O)C[NH+]3CCC(CO)CC3)=CC=C2)C=C1	REAL300002602912	1	48	0.0	-84.59	382.53	5.91	-78.68
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002603115	0	50	0.0	-73.67	381.41	9.74	-63.93
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002603115	1	50	0.0	-73.79	381.40	9.75	-64.04
C[N@@H+]1CC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C(F)(F)F)C1	REAL300002603116	0	44	0.0	-79.02	372.24	8.52	-70.50
C[N@H+]1CC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C(F)(F)F)C1	REAL300002603116	1	44	0.0	-84.17	365.30	8.37	-75.80
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N1	REAL300002603139	1	45	0.0	-80.76	379.02	8.02	-72.74
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300002603579	0	50	0.0	-92.69	409.51	11.05	-81.64
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300002603585	0	51	0.0	-102.96	416.81	10.00	-92.96
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002603717	0	44	0.0	-89.84	358.34	8.46	-81.38
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300002603721	0	50	0.0	-73.30	381.08	9.42	-63.88
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=CN21	REAL300002603725	0	42	0.0	-85.24	360.44	10.00	-75.24
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002603785	0	53	0.0	-79.27	409.31	10.46	-68.81
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002603785	1	53	0.0	-87.12	410.15	10.46	-76.66
CC[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002603786	0	47	0.0	-77.09	364.70	9.24	-67.85
CC[N@H+]1CCCC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002603786	1	47	0.0	-76.50	364.64	9.18	-67.32
C[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002603791	0	44	0.0	-86.56	353.63	8.34	-78.22
C[N@H+]1CCCC(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002603791	1	44	0.0	-84.96	353.14	8.33	-76.63
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300002603793	1	44	0.0	-101.11	373.38	8.54	-92.57
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002603799	0	53	0.0	-89.74	398.53	9.85	-79.89
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300002603799	1	53	0.0	-83.02	398.54	9.86	-73.16
O=C([O-])C1=NN(C2=CC=CC(NC(=O)C34CC(C3)C[N@H+]4C3CC3)=C2)C=C1	REAL300002603802	1	46	0.0	-90.96	364.83	9.81	-81.15
NS(=O)(=O)C1=CC=C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300002603873	1	46	0.0	-54.88	361.16	3.97	-50.91
O=C([O-])CC1COCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002604976	0	51	0.0	-81.92	374.95	9.97	-71.95
CC1=[NH+]C=C2CCC(C(=O)N3CCOCC3CC(=O)[O-])CN12	REAL300002606274	1	43	0.0	-67.66	318.04	7.24	-60.42
CC1=NC(C[NH+]2CCC(C(=O)N3CCOCC3CC(=O)[O-])CC2)=CS1	REAL300002606326	1	50	0.0	-82.70	381.56	7.69	-75.01
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCOCC2CC(=O)[O-])C=C1	REAL300002606391	0	54	0.0	-85.44	408.70	9.63	-75.81
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOCC2CC(=O)[O-])=C1	REAL300002606397	0	54	0.0	-83.47	406.73	11.59	-71.88
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOCC2CC(=O)[O-])=C1	REAL300002606397	1	54	0.0	-85.71	408.19	11.61	-74.10
C[NH+](C)CC1(C(=O)N2CCOCC2CC(=O)[O-])CCCCC1	REAL300002606466	0	50	0.0	-63.04	333.69	7.58	-55.46
C[N@H+](CCC(=O)N1CCOCC1CC(=O)[O-])C1CCCCC1	REAL300002606468	0	50	0.0	-75.07	353.43	7.50	-67.57
C[N@@H+](CCC(=O)N1CCOCC1CC(=O)[O-])C1CCCCC1	REAL300002606468	1	50	0.0	-75.11	353.43	7.49	-67.62
O=C([O-])CC1COCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002606526	0	44	0.0	-82.89	341.87	7.20	-75.69
O=C([O-])CC1COCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002606545	0	52	0.0	-81.86	366.04	7.00	-74.86
O=C([O-])CC1COCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300002606569	1	48	0.0	-78.64	353.28	5.49	-73.15
CC[N@H+](CC1=CC=C(C(=O)N2CCOCC2CC(=O)[O-])C=C1)C(C)C	REAL300002606570	0	53	0.0	-89.14	374.71	9.37	-79.77
CC[N@@H+](CC1=CC=C(C(=O)N2CCOCC2CC(=O)[O-])C=C1)C(C)C	REAL300002606570	1	53	0.0	-89.22	372.98	9.00	-80.22
O=C([O-])CC1COCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002606587	0	48	0.0	-67.75	354.69	9.05	-58.70
O=C([O-])CC1COCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002606587	1	48	0.0	-69.10	355.99	9.12	-59.98
O=C([O-])CC1COCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002606588	0	49	0.0	-79.59	358.03	8.65	-70.94
O=C([O-])CC1COCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002606611	0	52	0.0	-70.16	350.81	6.40	-63.76
CC(C(=O)N1CCOCC1CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002606614	0	47	0.0	-63.33	347.05	8.75	-54.58
CC(C(=O)N1CCOCC1CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002606614	1	47	0.0	-62.63	347.92	8.75	-53.88
O=C([O-])CC1COCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002606622	0	54	0.0	-78.24	396.72	10.76	-67.48
O=C([O-])CC1COCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002606622	1	54	0.0	-58.64	388.40	10.81	-47.83
C[NH+](C)CC1=CC=C(C(=O)N2CCOCC2CC(=O)[O-])C=N1	REAL300002606639	0	43	0.0	-85.76	325.82	6.07	-79.69
CCC[NH+](CCC)CCCC(=O)N1CCOCC1CC(=O)[O-]	REAL300002606646	0	52	0.0	-74.77	373.20	7.82	-66.95
O=C([O-])CC1COCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002606664	0	48	0.0	-88.18	355.49	9.12	-79.06
O=C([O-])CC1COCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002606669	0	51	0.0	-81.89	373.04	9.86	-72.03
CCN1CCC([NH+]2CCC(C(=O)N3CCOCC3CC(=O)[O-])CC2)CC1	REAL300002606675	0	59	0.0	-79.74	408.64	7.68	-72.06
CC1C[NH+](CC2=CC=C(C(=O)N3CCOCC3CC(=O)[O-])C=C2)CC(C)O1	REAL300002606682	1	55	0.0	-90.20	406.38	8.91	-81.29
O=C([O-])CC1COCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002606691	1	52	0.0	-86.61	382.64	8.26	-78.35
O=C([O-])CC1COCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002606691	1	52	0.0	-83.57	389.42	8.32	-75.25
CC1=C(C(=O)N2CCOCC2CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002606705	1	42	0.0	-83.98	326.65	6.29	-77.69
O=C([O-])CC1COCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002606708	0	51	0.0	-88.20	372.76	9.83	-78.37
O=C([O-])CC1COCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002606719	1	44	0.0	-78.83	336.03	7.35	-71.48
C[NH+](C)CCC1=CC=C(C(=O)N2CCOCC2CC(=O)[O-])C=C1	REAL300002606720	0	47	0.0	-90.99	353.99	8.86	-82.13
O=C([O-])CC1COCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002606724	1	49	0.0	-76.81	364.47	8.15	-68.66
O=C([O-])CC1COCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002606724	1	49	0.0	-78.15	357.41	7.95	-70.20
CC(C(=O)N1CCOCC1CC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002606733	0	57	0.0	-65.57	410.12	11.15	-54.42
CC(C(=O)N1CCOCC1CC(=O)[O-])[NH+]1CCSCC1	REAL300002606756	1	42	0.0	-64.43	310.62	6.65	-57.78
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCOCC1CC(=O)[O-]	REAL300002606763	0	47	0.0	-61.83	353.62	9.13	-52.70
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCOCC1CC(=O)[O-]	REAL300002606763	1	47	0.0	-73.32	354.23	8.29	-65.03
COCCOCC[N@H+](C)CCC(=O)N1CCOCC1CC(=O)[O-]	REAL300002606764	0	51	0.0	-74.37	383.18	4.51	-69.86
COCCOCC[N@@H+](C)CCC(=O)N1CCOCC1CC(=O)[O-]	REAL300002606764	1	51	0.0	-75.85	383.19	4.53	-71.32
C[N@@H+]1CCCC(O)(CC(=O)N2CCOCC2CC(=O)[O-])C1	REAL300002606767	0	45	0.0	-66.76	315.58	3.87	-62.89
C[N@H+]1CCCC(O)(CC(=O)N2CCOCC2CC(=O)[O-])C1	REAL300002606767	1	45	0.0	-69.89	312.19	4.50	-65.39
O=C([O-])CC1COCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002606772	0	56	0.0	-79.93	409.30	8.04	-71.89
CCCCCC[N@H+](C)CC(=O)N1CCOCC1CC(=O)[O-]	REAL300002606773	0	49	0.0	-71.57	358.81	7.61	-63.96
CCCCCC[N@@H+](C)CC(=O)N1CCOCC1CC(=O)[O-]	REAL300002606773	1	49	0.0	-60.90	358.20	8.45	-52.45
C[N@H+](CC(=O)N1CCOCC1CC(=O)[O-])C1CCSC1	REAL300002606795	0	42	0.0	-65.99	313.94	6.91	-59.08
C[N@@H+](CC(=O)N1CCOCC1CC(=O)[O-])C1CCSC1	REAL300002606795	1	42	0.0	-73.65	314.43	6.13	-67.52
CC(C)[NH+]1CCN(CCC(=O)N2CCOCC2CC(=O)[O-])CC1	REAL300002606805	0	52	0.0	-74.28	370.44	5.08	-69.20
CC(C)N1CC[NH+](CCC(=O)N2CCOCC2CC(=O)[O-])CC1	REAL300002606805	1	52	0.0	-74.51	367.02	4.91	-69.60
CC(C)[NH+]1CCN(CCCC(=O)N2CCOCC2CC(=O)[O-])CC1	REAL300002606806	0	55	0.0	-72.21	391.86	5.87	-66.34
CC(C)N1CC[NH+](CCCC(=O)N2CCOCC2CC(=O)[O-])CC1	REAL300002606806	1	55	0.0	-70.87	387.65	6.61	-64.26
C[NH+](C)CCN1C=C(C(=O)N2CCOCC2CC(=O)[O-])C=N1	REAL300002606808	0	44	0.0	-84.45	335.49	6.10	-78.35
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCOCC3CC(=O)[O-])CC2)=C1	REAL300002606811	0	56	0.0	-78.65	409.21	7.91	-70.74
O=C([O-])CC1COCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002606813	0	53	0.0	-78.86	387.97	7.28	-71.58
O=C([O-])CC1COCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002606816	0	50	0.0	-63.40	357.00	7.99	-55.41
O=C([O-])CC1COCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002606816	1	50	0.0	-65.45	360.47	8.19	-57.26
CC(C(=O)N1CCOCC1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002606821	1	48	0.0	-61.45	349.80	9.12	-52.33
CC(C(=O)N1CCOCC1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002606821	1	48	0.0	-65.44	346.27	9.03	-56.41
O=C([O-])CC1COCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002606840	0	51	0.0	-79.85	380.25	9.16	-70.69
O=C([O-])CC1COCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002606840	1	51	0.0	-79.64	380.06	9.17	-70.47
C[NH+](C)CCN1C=CC(C(=O)N2CCOCC2CC(=O)[O-])=N1	REAL300002606851	0	44	0.0	-96.95	336.13	6.68	-90.27
C[NH+](C)CCN1N=CC=C1C(=O)N1CCOCC1CC(=O)[O-]	REAL300002606852	0	44	0.0	-62.84	330.39	5.96	-56.88
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCOCC1CC(=O)[O-]	REAL300002606853	1	45	0.0	-67.30	340.96	7.12	-60.18
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCOCC2CC(=O)[O-])=NN1	REAL300002606856	1	45	0.0	-85.43	337.16	6.25	-79.18
C[N@H+]1CCCC1C1=CC(C(=O)N2CCOCC2CC(=O)[O-])=NN1	REAL300002606856	1	45	0.0	-83.03	337.43	6.29	-76.74
O=C([O-])CC1COCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002606864	0	51	0.0	-63.33	368.49	9.82	-53.51
O=C([O-])CC1COCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002606864	1	51	0.0	-57.73	371.95	10.02	-47.71
CC(C[NH+]1CCOCC1)C(=O)N1CCOCC1CC(=O)[O-]	REAL300002606868	1	45	0.0	-70.44	324.28	5.38	-65.06
O=C([O-])CC1COCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002606869	0	52	0.0	-78.63	385.57	6.66	-71.97
O=C([O-])CC1COCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002606906	0	51	0.0	-71.92	356.57	7.61	-64.31
O=C([O-])CC1COCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002606906	1	51	0.0	-69.32	357.40	8.56	-60.76
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCOCC3CC(=O)[O-])=C2)CC1	REAL300002606931	0	53	0.0	-83.64	390.16	7.43	-76.21
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCOCC3CC(=O)[O-])C=C2)CC1	REAL300002606932	0	53	0.0	-85.02	389.25	7.26	-77.76
CN1CC[NH+](CC2=CC=C(C(=O)N3CCOCC3CC(=O)[O-])C=C2)CC1	REAL300002606932	1	53	0.0	-88.84	389.59	7.33	-81.51
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCOCC2CC(=O)[O-])C=C1	REAL300002606933	0	54	0.0	-88.68	390.35	8.79	-79.89
O=C([O-])CC1COCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002607011	0	55	0.0	-92.31	404.76	7.18	-85.13
C[NH+](C)CC1=CC=CC(C(=O)N2CCOCC2CC(=O)[O-])=C1	REAL300002607015	0	44	0.0	-77.99	330.77	8.01	-69.98
O=C([O-])CC1COCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002607016	0	51	0.0	-63.70	365.62	9.87	-53.83
O=C([O-])CC1COCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002607016	1	51	0.0	-69.18	374.37	9.86	-59.32
CC[NH+]1CCN(CCC(=O)N2CCOCC2CC(=O)[O-])CC1	REAL300002607057	0	49	0.0	-75.79	353.70	4.57	-71.22
CCN1CC[NH+](CCC(=O)N2CCOCC2CC(=O)[O-])CC1	REAL300002607057	1	49	0.0	-74.58	353.78	4.60	-69.98
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCOCC1CC(=O)[O-]	REAL300002607063	1	45	0.0	-63.57	339.94	8.01	-55.56
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCOCC3CC(=O)[O-])=CC=C1N2	REAL300002607109	1	49	0.0	-87.84	366.47	8.44	-79.40
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCOCC3CC(=O)[O-])=CC=C1N2	REAL300002607109	1	49	0.0	-86.17	365.55	8.34	-77.83
CC[NH+](CC)CC1=CC=C(C(=O)N2CCOCC2CC(=O)[O-])O1	REAL300002607149	0	47	0.0	-83.57	350.60	8.03	-75.54
CC1=CC=C(N2CCC(C(=O)N3CCOCC3CC(=O)[O-])CC2)[NH+]=C1	REAL300002607150	1	50	0.0	-79.50	367.10	7.78	-71.72
C[N@H+](CC(=O)N1CCOCC1CC(=O)[O-])CC1=CC=CC=C1	REAL300002607151	1	44	0.0	-63.53	331.14	8.29	-55.24
C[N@@H+](CC(=O)N1CCOCC1CC(=O)[O-])CC1=CC=CC=C1	REAL300002607151	1	44	0.0	-74.76	331.81	7.48	-67.28
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCOCC3CC(=O)[O-])C=C2)CC1	REAL300002607154	0	56	0.0	-87.18	399.55	8.38	-78.80
O=C([O-])CC1COCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300002607163	1	39	0.0	-81.49	310.61	5.97	-75.52
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOCC1CC(=O)[O-]	REAL300002607190	0	51	0.0	-71.56	372.33	9.82	-61.74
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOCC1CC(=O)[O-]	REAL300002607190	1	51	0.0	-70.00	373.68	9.88	-60.12
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCOCC2CC(=O)[O-])C=C1	REAL300002607207	0	52	0.0	-91.47	396.00	9.34	-82.13
C[NH+]1CCC(OCC(=O)N2CCOCC2CC(=O)[O-])CC1	REAL300002607218	0	45	0.0	-84.80	334.64	6.51	-78.29
O=C([O-])CC1COCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002607222	0	48	0.0	-85.19	356.35	8.43	-76.76
O=C([O-])CC1COCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300002607368	0	45	0.0	-60.53	327.90	3.86	-56.67
C[N@@H+]1CC(C(=O)N2CCOCC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300002607523	0	41	0.0	-75.71	298.53	5.83	-69.88
C[N@H+]1CC(C(=O)N2CCOCC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300002607523	1	41	0.0	-66.86	313.98	6.29	-60.57
C[NH+](C)CCC1=CC=CC(C(=O)N2CCOCC2CC(=O)[O-])=C1	REAL300002607864	0	47	0.0	-84.41	353.20	8.85	-75.56
C[NH+](C)CCOC1=CC=C(C(=O)N2CCOCC2CC(=O)[O-])C=C1	REAL300002607869	0	48	0.0	-88.18	361.32	7.76	-80.42
O=C([O-])CC1COCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002607941	0	54	0.0	-75.61	394.69	9.85	-65.76
CC1C[N@H+](CC2=CC=C(C(=O)N3CCOCC3CC(=O)[O-])C=C2)CCO1	REAL300002607943	1	52	0.0	-91.17	384.64	8.19	-82.98
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCOCC3CC(=O)[O-])C=C2)CCO1	REAL300002607943	1	52	0.0	-95.41	384.13	8.21	-87.20
CC1=[NH+]C=C2C=CC(C(=O)N3CCOCC3CC(=O)[O-])=CN21	REAL300002607966	0	39	0.0	-70.97	303.81	7.79	-63.18
CC(C)C[N@@H+]1CCCC(C(=O)N2CCOCC2CC(=O)[O-])C1	REAL300002608003	0	50	0.0	-56.85	345.94	8.45	-48.40
CC(C)C[N@H+]1CCCC(C(=O)N2CCOCC2CC(=O)[O-])C1	REAL300002608003	1	50	0.0	-56.93	343.50	8.31	-48.62
COCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002609279	0	50	0.0	-73.89	390.67	8.19	-65.70
COCCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002610044	0	47	0.0	-59.83	367.93	7.08	-52.75
COCCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002610044	1	47	0.0	-58.77	372.14	7.61	-51.16
COCCC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300002610841	0	50	0.0	-64.29	393.01	8.15	-56.14
COCCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300002610902	1	49	0.0	-73.77	398.39	6.00	-67.77
COCCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002610958	0	53	0.0	-77.27	423.92	7.76	-69.51
COCCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002610971	0	53	0.0	-78.23	424.96	10.02	-68.21
COCCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002610971	1	53	0.0	-78.25	424.96	10.03	-68.22
COCCC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002610972	0	53	0.0	-56.33	403.84	8.58	-47.75
COCCC(NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002611012	0	50	0.0	-65.73	405.41	8.26	-57.47
COCCC(NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002611012	1	50	0.0	-57.38	406.82	8.46	-48.92
COCCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300002611044	0	49	0.0	-75.80	355.27	6.25	-69.55
COCCC(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002611046	0	49	0.0	-66.35	368.27	6.61	-59.74
COCCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002611046	1	49	0.0	-65.50	368.27	6.59	-58.91
COCCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002611070	1	50	0.0	-63.76	394.88	8.23	-55.53
COCCC(NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002611070	1	50	0.0	-63.55	394.29	8.19	-55.36
COCCC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002611071	1	47	0.0	-65.76	381.54	7.80	-57.96
COCCC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002611071	1	47	0.0	-63.19	374.23	7.15	-56.04
COCCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002611118	0	43	0.0	-77.85	358.42	5.63	-72.22
COCCC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300002611123	0	53	0.0	-80.85	423.14	7.76	-73.09
COCCC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300002611148	0	50	0.0	-58.82	362.74	6.88	-51.94
COCCC(NC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300002611148	1	50	0.0	-58.72	362.77	6.88	-51.84
COCCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002611149	0	51	0.0	-76.91	381.57	5.27	-71.64
COCCC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300002611174	1	47	0.0	-73.48	367.53	4.58	-68.90
CC[N@H+](CC1=CC=C(C(=O)NC(CCOC)C(=O)[O-])C=C1)C(C)C	REAL300002611175	0	52	0.0	-76.18	395.96	8.09	-68.09
CC[N@@H+](CC1=CC=C(C(=O)NC(CCOC)C(=O)[O-])C=C1)C(C)C	REAL300002611175	1	52	0.0	-76.78	387.59	7.61	-69.17
COCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002611196	0	47	0.0	-66.78	373.42	7.40	-59.38
COCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002611196	1	47	0.0	-67.53	375.09	7.44	-60.09
COCCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002611197	0	48	0.0	-72.61	369.67	6.64	-65.97
COCCC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300002611218	1	52	0.0	-69.70	403.52	6.25	-63.45
COCCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002611219	0	51	0.0	-66.09	366.49	4.90	-61.19
COCCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002611222	0	46	0.0	-58.07	364.84	6.98	-51.09
COCCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002611222	1	46	0.0	-58.72	364.88	6.92	-51.80
COCCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002611231	0	53	0.0	-62.15	407.49	9.21	-52.94
COCCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002611231	1	53	0.0	-71.47	413.73	9.00	-62.47
CCC[NH+](CCC)CCCC(=O)NC(CCOC)C(=O)[O-]	REAL300002611268	0	51	0.0	-68.73	392.65	7.16	-61.57
COCCC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300002611269	1	51	0.0	-60.74	398.01	4.89	-55.85
CC[N@H+](C)C(C(=O)NC(CCOC)C(=O)[O-])C1=CC=CC=C1	REAL300002611270	0	46	0.0	-54.16	353.72	6.76	-47.40
CC[N@@H+](C)C(C(=O)NC(CCOC)C(=O)[O-])C1=CC=CC=C1	REAL300002611270	1	46	0.0	-52.66	362.62	7.09	-45.57
CC[NH+](CC)C(C(=O)NC(CCOC)C(=O)[O-])C1=CC=CC=C1	REAL300002611274	0	49	0.0	-50.81	362.64	6.93	-43.88
COCCC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300002611277	1	43	0.0	-55.85	361.50	6.96	-48.89
COCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002611291	0	47	0.0	-79.71	372.18	7.52	-72.19
COCCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002611298	0	50	0.0	-72.94	389.81	8.28	-64.66
CCN1CCC([NH+]2CCC(C(=O)NC(CCOC)C(=O)[O-])CC2)CC1	REAL300002611304	0	58	0.0	-70.61	424.96	5.88	-64.73
COCCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300002611310	1	54	0.0	-83.66	422.25	7.36	-76.30
COCCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002611321	1	51	0.0	-79.20	397.65	7.43	-71.77
COCCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002611321	1	51	0.0	-74.56	403.60	7.51	-67.05
COCCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002611335	0	50	0.0	-60.02	388.52	8.16	-51.86
COCCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002611335	1	50	0.0	-61.12	379.30	7.93	-53.19
COCCC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002611337	1	41	0.0	-79.30	344.27	4.80	-74.50
COCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002611345	0	50	0.0	-80.10	388.67	8.28	-71.82
COCCC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300002611356	1	43	0.0	-77.13	353.27	5.10	-72.03
COCCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002611357	0	46	0.0	-84.90	370.74	7.28	-77.62
COCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002611364	1	48	0.0	-56.91	376.81	6.88	-50.03
COCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002611364	1	48	0.0	-58.18	377.16	6.80	-51.38
COCCC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300002611369	0	57	0.0	-62.68	427.10	9.48	-53.20
COCCC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300002611369	1	57	0.0	-65.31	434.29	9.77	-55.54
COCCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002611377	0	56	0.0	-56.86	422.71	9.36	-47.50
COCCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002611408	0	46	0.0	-63.04	369.24	7.40	-55.64
COCCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002611408	1	46	0.0	-63.06	369.23	7.39	-55.67
COCCOCC[N@H+](C)CCC(=O)NC(CCOC)C(=O)[O-]	REAL300002611409	0	50	0.0	-66.20	397.40	3.60	-62.60
COCCOCC[N@@H+](C)CCC(=O)NC(CCOC)C(=O)[O-]	REAL300002611409	1	50	0.0	-66.86	398.28	3.58	-63.28
COCCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002611418	0	55	0.0	-72.59	423.56	7.12	-65.47
COCCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002611450	0	51	0.0	-71.13	385.45	4.11	-67.02
COCCC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002611450	1	51	0.0	-65.22	380.93	3.95	-61.27
COCCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002611451	0	54	0.0	-68.72	406.70	4.98	-63.74
COCCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002611451	1	54	0.0	-68.43	402.43	4.75	-63.68
COCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300002611456	0	55	0.0	-69.89	424.30	6.95	-62.94
COCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002611458	0	52	0.0	-69.60	402.90	6.28	-63.32
COCCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002611462	0	49	0.0	-68.34	385.92	6.43	-61.91
COCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002611462	1	49	0.0	-67.43	386.08	6.28	-61.15
COCCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002611466	1	47	0.0	-59.11	365.55	7.46	-51.65
COCCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002611466	1	47	0.0	-59.86	364.89	7.57	-52.29
COCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002611493	0	50	0.0	-73.14	394.89	8.24	-64.90
COCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002611493	1	50	0.0	-72.54	392.80	8.18	-64.36
COCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002611518	0	50	0.0	-66.19	390.48	8.44	-57.75
COCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002611518	1	50	0.0	-66.36	396.78	8.24	-58.12
COCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002611521	0	51	0.0	-68.20	399.79	5.73	-62.47
COCCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002611555	1	50	0.0	-79.89	387.64	6.38	-73.51
COCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002611556	0	50	0.0	-65.66	375.58	6.87	-58.79
COCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002611556	1	50	0.0	-67.11	375.43	6.82	-60.29
COCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002611572	0	55	0.0	-71.33	423.85	6.95	-64.38
COCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002611572	1	55	0.0	-72.09	423.52	6.91	-65.18
COCCC(NC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300002611576	0	47	0.0	-57.68	350.90	4.03	-53.65
COCCC(NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002611580	0	56	0.0	-63.93	420.01	6.68	-57.25
COCCC(NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002611580	1	56	0.0	-74.37	412.85	6.18	-68.19
COCCC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002611581	0	50	0.0	-74.97	394.10	5.78	-69.19
COCCC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002611581	1	50	0.0	-76.08	371.54	4.88	-71.20
COCCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300002611586	0	52	0.0	-71.25	406.93	5.86	-65.39
COCCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002611587	0	52	0.0	-77.69	405.99	5.67	-72.02
COCCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300002611587	1	52	0.0	-81.28	406.33	5.75	-75.53
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CCOC)C(=O)[O-])C=C1	REAL300002611588	0	53	0.0	-78.91	409.43	7.30	-71.61
COCCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002611666	0	54	0.0	-83.67	420.66	5.64	-78.03
COCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002611668	0	50	0.0	-64.04	391.01	8.19	-55.85
COCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002611668	1	50	0.0	-65.97	391.18	8.13	-57.84
CC[NH+]1CCN(CCC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300002611718	0	48	0.0	-70.61	367.30	3.51	-67.10
CCN1CC[NH+](CCC(=O)NC(CCOC)C(=O)[O-])CC1	REAL300002611718	1	48	0.0	-65.61	368.70	3.60	-62.01
COCCC(NC(=O)C(C(C)C)[NH+]1CCCCC1)C(=O)[O-]	REAL300002611721	0	49	0.0	-57.07	353.17	6.83	-50.24
COCCC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002611726	0	48	0.0	-63.77	383.56	4.39	-59.38
COCCC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002611726	1	48	0.0	-62.25	383.19	4.48	-57.77
COCCC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300002611730	0	46	0.0	-60.02	375.18	6.85	-53.17
CC[NH+](CC)C(C(=O)NC(CCOC)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300002611732	0	52	0.0	-62.50	409.67	8.25	-54.25
COCCC(NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300002611756	1	53	0.0	-53.26	389.60	5.95	-47.31
COCCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002611779	1	48	0.0	-81.03	383.05	6.87	-74.16
COCCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002611779	1	48	0.0	-80.76	383.25	6.86	-73.90
CC[NH+](CC)CC1=CC=C(C(=O)NC(CCOC)C(=O)[O-])O1	REAL300002611830	0	46	0.0	-73.58	365.08	5.90	-67.68
COCCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300002611831	1	49	0.0	-70.35	383.89	6.09	-64.26
COCCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300002611834	0	55	0.0	-80.27	416.02	6.88	-73.39
COCCC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002611843	1	38	0.0	-77.37	329.40	4.39	-72.98
COCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002611874	0	50	0.0	-74.97	395.44	8.07	-66.90
COCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002611874	1	50	0.0	-75.77	394.82	7.93	-67.84
COCCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002611890	0	51	0.0	-81.76	412.59	7.40	-74.36
COCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002611907	0	47	0.0	-76.07	374.94	6.60	-69.47
COCCC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002611934	0	49	0.0	-61.67	383.86	6.19	-55.48
COCCC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002611934	1	49	0.0	-53.13	382.47	6.30	-46.83
COCCC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002612145	0	51	0.0	-75.94	398.17	8.48	-67.46
COCCC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002612145	1	51	0.0	-63.23	399.43	8.52	-54.71
COCCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300002612174	1	50	0.0	-66.04	394.88	8.23	-57.81
COCCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300002612174	1	50	0.0	-66.55	395.14	8.16	-58.39
COCCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002612243	0	40	0.0	-67.27	333.56	4.72	-62.55
COCCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002612243	1	40	0.0	-79.87	334.45	4.67	-75.20
COCCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300002612619	0	46	0.0	-76.10	369.91	7.31	-68.79
COCCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002612623	0	47	0.0	-80.30	377.21	6.28	-74.02
COCCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002612691	0	53	0.0	-69.65	409.80	8.88	-60.77
COCCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002612693	1	51	0.0	-83.17	395.37	6.67	-76.50
COCCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002612693	1	51	0.0	-82.01	394.82	6.65	-75.36
COCCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300002612764	0	49	0.0	-59.58	365.03	6.86	-52.72
COCCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300002612764	1	49	0.0	-59.58	365.03	6.86	-52.72
COCCC(NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300002612769	0	49	0.0	-75.19	360.09	6.06	-69.13
COCCC(NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300002612769	1	49	0.0	-75.19	360.09	6.06	-69.13
CC1=NN(C2=CC=CC=C2)C=C1CCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002612967	0	56	0.0	-54.64	439.24	10.72	-43.92
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002614010	0	50	0.0	-65.34	376.57	10.58	-54.76
CC1=NC(C[NH+]2CCC(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])CC2)=CS1	REAL300002615240	1	49	0.0	-64.04	383.97	8.35	-55.69
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300002615285	0	53	0.0	-67.41	410.47	9.88	-57.53
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300002615290	0	53	0.0	-72.51	411.34	12.50	-60.01
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300002615290	1	53	0.0	-73.96	411.20	12.50	-61.46
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002615401	0	43	0.0	-64.32	345.23	7.74	-56.58
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002615419	0	51	0.0	-65.44	360.64	7.49	-57.95
CC[N@H+](CC1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300002615437	0	52	0.0	-64.07	380.13	10.06	-54.01
CC[N@@H+](CC1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300002615437	1	52	0.0	-71.31	374.12	10.11	-61.20
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002615452	0	47	0.0	-58.27	359.97	9.82	-48.45
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002615452	1	47	0.0	-55.98	361.05	9.83	-46.15
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002615453	0	48	0.0	-64.35	359.31	9.24	-55.11
O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300002615474	0	51	0.0	-54.02	353.10	6.95	-47.07
CC(C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002615477	0	46	0.0	-43.48	349.40	9.24	-34.24
CC(C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002615477	1	46	0.0	-44.00	349.49	9.05	-34.95
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002615483	0	53	0.0	-53.64	392.93	11.60	-42.04
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002615483	1	53	0.0	-47.08	389.99	11.64	-35.44
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002615518	0	47	0.0	-74.30	357.86	9.77	-64.53
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002615522	0	50	0.0	-70.02	376.16	10.75	-59.27
CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])CC2)CC1	REAL300002615528	0	58	0.0	-63.81	406.36	8.08	-55.73
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O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=C(F)C=C32)C1	REAL300002627038	1	41	0.0	-43.37	311.35	9.23	-34.14
O=C([O-])C1CCC[N@H+](CC(=O)N2CC(C3=CC=CC=C3)C3CCCC32)C1	REAL300002627135	0	54	0.0	-43.72	382.90	11.37	-32.35
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC(C3=CC=CC=C3)C3CCCC32)C1	REAL300002627135	1	54	0.0	-46.87	390.31	11.69	-35.18
CC1(C)CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300002627251	0	50	0.0	-47.43	375.97	9.81	-37.62
CC1(C)CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300002627251	1	50	0.0	-49.09	369.94	9.83	-39.26
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(CC3=CC=CC=C3)C2)C1	REAL300002627374	0	51	0.0	-46.11	380.15	9.22	-36.89
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(CC3=CC=CC=C3)C2)C1	REAL300002627374	1	51	0.0	-49.17	387.53	9.65	-39.52
CC1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC(C)(C)O1	REAL300002627468	0	50	0.0	-44.12	356.00	7.37	-36.75
CC1(C)CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC(C)(C)O1	REAL300002627468	1	50	0.0	-43.84	356.11	7.36	-36.48
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3CCCO3)CC2)C1	REAL300002627568	0	51	0.0	-43.96	359.52	7.94	-36.02
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3CCCO3)CC2)C1	REAL300002627568	1	51	0.0	-48.34	368.32	8.32	-40.02
COCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CO1	REAL300002627644	0	44	0.0	-47.05	343.48	5.08	-41.97
COCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CO1	REAL300002627644	1	44	0.0	-50.16	344.30	5.54	-44.62
CCCCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCC1	REAL300002627706	0	52	0.0	-46.33	381.80	9.66	-36.67
CCCCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCC1	REAL300002627706	1	52	0.0	-46.06	376.22	9.70	-36.36
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=C(Br)SC=C2)C1	REAL300002627814	0	37	0.0	-47.71	327.54	7.02	-40.69
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=C(Br)SC=C2)C1	REAL300002627814	1	37	0.0	-45.16	320.80	6.98	-38.18
O=C([O-])C1CCC[N@H+](CC(=O)NC2(CC3=CC=CC=C3)CC2)C1	REAL300002627906	0	47	0.0	-44.59	359.04	8.96	-35.63
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(CC3=CC=CC=C3)CC2)C1	REAL300002627906	1	47	0.0	-48.11	365.36	9.36	-38.75
C[C@H](CC1CCCCC1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002628093	0	52	0.0	-46.67	377.73	9.36	-37.31
C[C@H](CC1CCCCC1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002628093	1	52	0.0	-47.42	378.89	9.40	-38.02
CC1(C)CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)(C)O1	REAL300002628167	0	50	0.0	-49.66	360.95	6.69	-42.97
CC1(C)CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)(C)O1	REAL300002628167	1	50	0.0	-48.38	354.04	7.19	-41.19
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCCC2C2=CC=C(Cl)C=C2)C1	REAL300002628466	0	53	0.0	-48.26	397.19	12.36	-35.90
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCCC2C2=CC=C(Cl)C=C2)C1	REAL300002628466	1	53	0.0	-47.82	397.31	12.33	-35.49
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(C(F)F)C=C2)C1	REAL300002628569	0	43	0.0	-48.44	342.75	7.89	-40.55
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(C(F)F)C=C2)C1	REAL300002628569	1	43	0.0	-48.27	342.68	8.27	-40.00
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC3(CCOC3)C2)C1	REAL300002628653	0	46	0.0	-47.40	329.80	4.57	-42.83
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC3(CCOC3)C2)C1	REAL300002628653	1	46	0.0	-50.50	336.03	4.99	-45.51
CN(CCC1CCOCC1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002628776	0	50	0.0	-49.62	361.75	8.02	-41.60
CN(CCC1CCOCC1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002628776	1	50	0.0	-48.52	368.20	8.06	-40.46
COC1=CC(C)=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1C	REAL300002628873	0	50	0.0	-50.98	372.12	8.86	-42.12
COC1=CC(C)=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1C	REAL300002628873	1	50	0.0	-51.00	367.04	8.84	-42.16
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC(C3=CC=C(F)C=C3)C2)C1	REAL300002628988	0	50	0.0	-51.12	385.79	10.06	-41.06
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC(C3=CC=C(F)C=C3)C2)C1	REAL300002628988	1	50	0.0	-50.53	383.20	10.06	-40.47
CCOCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)C	REAL300002629068	0	49	0.0	-45.61	361.72	6.48	-39.13
CCOCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)C	REAL300002629068	1	49	0.0	-43.89	356.13	6.50	-37.39
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC3=C2OCCO3)C1	REAL300002629261	1	43	0.0	-49.22	327.40	6.60	-42.62
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC3=C2OCCO3)C1	REAL300002629261	1	43	0.0	-50.15	333.69	6.56	-43.59
CCC1=CC=C(C(C)(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002629373	0	55	0.0	-48.59	408.64	10.67	-37.92
CCC1=CC=C(C(C)(C)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002629373	1	55	0.0	-45.75	401.92	10.23	-35.52
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3=CC=CC=C3C3(CC3)C2)C1	REAL300002629534	0	48	0.0	-44.38	352.72	10.35	-34.03
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3=CC=CC=C3C3(CC3)C2)C1	REAL300002629534	1	48	0.0	-47.18	353.88	10.78	-36.40
CC1=CC=C2C(=C1)CCN2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002629710	0	44	0.0	-44.48	326.36	9.83	-34.65
CC1=CC=C2C(=C1)CCN2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002629710	1	44	0.0	-45.03	332.57	9.85	-35.18
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(OCC3CC3)C2)C1	REAL300002629804	0	51	0.0	-44.66	373.04	8.58	-36.08
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(OCC3CC3)C2)C1	REAL300002629804	1	51	0.0	-48.27	379.77	9.04	-39.23
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OC3=CC=C([N+](=O)[O-])C=C3)CC2)C1	REAL300002629915	0	53	0.0	-56.61	409.49	10.60	-46.01
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OC3=CC=C([N+](=O)[O-])C=C3)CC2)C1	REAL300002629915	1	53	0.0	-55.83	409.09	10.59	-45.24
CC1CC2=CC=CC=C2CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002629995	0	47	0.0	-46.98	347.68	10.27	-36.71
CC1CC2=CC=CC=C2CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002629995	1	47	0.0	-44.27	340.24	9.82	-34.45
CC(C)(COCC1=CC=CC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002630093	0	53	0.0	-49.93	403.35	8.90	-41.03
CC(C)(COCC1=CC=CC=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002630093	1	53	0.0	-50.65	403.99	8.92	-41.73
CC1=CC=C(C2CCCC2N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002630203	0	56	0.0	-40.75	392.36	12.08	-28.67
CC1=CC=C(C2CCCC2N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002630203	1	56	0.0	-43.53	390.32	12.53	-31.00
COC1=CC=C(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300002630310	1	48	0.0	-49.74	371.83	7.75	-41.99
COC1=CC=C(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300002630310	1	48	0.0	-49.95	373.03	7.79	-42.16
CCC1CC2=CC=CC=C2CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002630412	0	50	0.0	-48.29	360.51	10.88	-37.41
CCC1CC2=CC=CC=C2CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002630412	1	50	0.0	-47.63	366.54	10.88	-36.75
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OCC3CC3)CC2)C1	REAL300002630517	0	51	0.0	-44.95	373.03	8.59	-36.36
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OCC3CC3)CC2)C1	REAL300002630517	1	51	0.0	-47.82	380.46	9.04	-38.78
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3(CCCCC3)CC2)C1	REAL300002630635	0	56	0.0	-47.01	374.47	10.72	-36.29
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3(CCCCC3)CC2)C1	REAL300002630635	1	56	0.0	-43.41	366.56	10.20	-33.21
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3=CC=CC(Cl)=C3)C2)C1	REAL300002630762	0	48	0.0	-50.36	376.21	9.61	-40.75
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3=CC=CC(Cl)=C3)C2)C1	REAL300002630762	1	48	0.0	-50.00	382.38	9.43	-40.57
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CSC=C3)CC2)C1	REAL300002630888	0	47	0.0	-44.60	355.99	9.52	-35.08
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CSC=C3)CC2)C1	REAL300002630888	1	47	0.0	-47.69	363.49	10.00	-37.69
COC1=CC=C(CC(C)(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002631002	0	53	0.0	-50.59	392.06	8.40	-42.19
COC1=CC=C(CC(C)(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002631002	1	53	0.0	-51.32	392.69	8.42	-42.90
CC1=C(C)C2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300002631117	0	46	0.0	-51.23	354.05	8.71	-42.52
CC1=C(C)C2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300002631117	1	46	0.0	-52.96	353.31	9.10	-43.86
CSC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002631238	0	47	0.0	-51.35	372.21	9.20	-42.15
CSC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002631238	1	47	0.0	-48.29	370.30	8.75	-39.54
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=C(F)C=C2)C1	REAL300002631350	0	44	0.0	-48.37	343.35	8.45	-39.92
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=C(F)C=C2)C1	REAL300002631350	1	44	0.0	-51.28	350.83	8.90	-42.38
CC1(C)CCC2=CC=CC=C2C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002631459	0	53	0.0	-47.50	381.84	10.43	-37.07
CC1(C)CCC2=CC=CC=C2C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002631459	1	53	0.0	-47.81	382.83	10.46	-37.35
CCC1(CC)CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002631568	0	55	0.0	-47.10	375.72	9.00	-38.10
CCC1(CC)CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002631568	1	55	0.0	-47.42	381.71	8.98	-38.44
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=CC=C2F)C1	REAL300002631674	0	44	0.0	-50.49	350.35	8.89	-41.60
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=CC=C2F)C1	REAL300002631674	1	44	0.0	-49.17	349.18	8.86	-40.31
CSCC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002631792	0	47	0.0	-48.26	376.62	9.28	-38.98
CSCC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002631792	1	47	0.0	-49.40	382.82	9.30	-40.10
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OCC(F)F)C=C2)C1	REAL300002631916	0	44	0.0	-57.02	355.27	7.84	-49.18
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OCC(F)F)C=C2)C1	REAL300002631916	1	44	0.0	-53.45	348.92	7.87	-45.58
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=C(F)C=CC=C2OC(F)F)C1	REAL300002632046	0	44	0.0	-49.54	359.95	7.07	-42.47
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=C(F)C=CC=C2OC(F)F)C1	REAL300002632046	1	44	0.0	-49.62	353.73	7.05	-42.57
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1Cl	REAL300002632179	0	43	0.0	-50.88	363.49	9.23	-41.65
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1Cl	REAL300002632179	1	43	0.0	-50.26	358.02	9.25	-41.01
CSCC1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002632252	0	44	0.0	-47.16	330.27	8.62	-38.54
CSCC1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002632252	1	44	0.0	-46.26	336.80	8.66	-37.60
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2CCCC2=CC=CC=C2)C1	REAL300002632341	0	56	0.0	-47.72	420.66	12.74	-34.98
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2CCCC2=CC=CC=C2)C1	REAL300002632341	1	56	0.0	-46.92	420.85	12.71	-34.21
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2CCC2CCCCC2)C1	REAL300002632449	0	59	0.0	-46.03	419.81	12.14	-33.89
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2CCC2CCCCC2)C1	REAL300002632449	1	59	0.0	-45.34	420.39	12.13	-33.21
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C1=CC=C(Cl)C=C1)C1CCCC1	REAL300002632639	0	56	0.0	-45.60	416.31	12.36	-33.24
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C1=CC=C(Cl)C=C1)C1CCCC1	REAL300002632639	1	56	0.0	-49.00	423.75	12.85	-36.15
CC1=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=CC=C1[N+](=O)[O-]	REAL300002632744	0	45	0.0	-53.67	350.50	8.42	-45.25
CC1=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=CC=C1[N+](=O)[O-]	REAL300002632744	1	45	0.0	-55.62	357.04	8.72	-46.90
O=C([O-])C1CCC[N@H+](CC(=O)NCC(C2=CC=CC=C2)C(F)(F)F)C1	REAL300002632873	0	46	0.0	-46.91	358.26	8.76	-38.15
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(C2=CC=CC=C2)C(F)(F)F)C1	REAL300002632873	1	46	0.0	-47.56	360.18	9.21	-38.35
CC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OCC(F)(F)F)=C1	REAL300002633000	0	50	0.0	-49.94	401.78	8.80	-41.14
CC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OCC(F)(F)F)=C1	REAL300002633000	1	50	0.0	-45.84	399.86	8.35	-37.49
CCCOC1=CC(C)=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002633120	0	53	0.0	-46.93	403.71	9.13	-37.80
CCCOC1=CC(C)=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002633120	1	53	0.0	-46.96	409.90	9.15	-37.81
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3CCOCC3)C2)C1	REAL300002633240	0	51	0.0	-44.77	366.46	7.66	-37.11
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3CCOCC3)C2)C1	REAL300002633240	1	51	0.0	-47.68	373.91	8.10	-39.58
CCC(CSC)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002633469	0	46	0.0	-43.38	348.72	9.00	-34.38
CCC(CSC)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002633469	1	46	0.0	-46.26	349.51	9.46	-36.80
COCCC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300002633568	0	56	0.0	-47.21	390.50	7.75	-39.46
COCCC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300002633568	1	56	0.0	-48.17	396.95	7.78	-40.39
COC1=CC(C)=C(Br)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002633710	1	44	0.0	-48.95	358.22	7.90	-41.05
COC1=CC(C)=C(Br)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002633710	1	44	0.0	-49.14	352.75	7.91	-41.23
CCOC1=CC=CC=C1C(CC(C)C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002633809	0	59	0.0	-46.97	438.02	10.76	-36.21
CCOC1=CC=CC=C1C(CC(C)C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002633809	1	59	0.0	-49.21	425.71	10.46	-38.75
COCC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC(C)O1	REAL300002633887	0	48	0.0	-47.17	349.96	5.56	-41.61
COCC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC(C)O1	REAL300002633887	1	48	0.0	-50.71	350.75	6.01	-44.70
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCCC1CCCCO1	REAL300002633962	0	50	0.0	-45.03	366.19	6.63	-38.40
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCCC1CCCCO1	REAL300002633962	1	50	0.0	-48.12	368.10	7.08	-41.04
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCOC2(CCCC2)C1	REAL300002634062	0	51	0.0	-48.31	362.82	7.15	-41.16
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCOC2(CCCC2)C1	REAL300002634062	1	51	0.0	-48.37	368.34	7.13	-41.24
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(SC3=CC=C(Cl)C=C3)CC2)C1	REAL300002634168	0	51	0.0	-51.17	406.74	12.00	-39.17
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(SC3=CC=C(Cl)C=C3)CC2)C1	REAL300002634168	1	51	0.0	-50.15	406.35	11.98	-38.17
CC1=CC=C(OC(F)F)C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002634279	0	47	0.0	-48.82	370.10	7.69	-41.13
CC1=CC=C(OC(F)F)C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002634279	1	47	0.0	-50.22	376.30	7.71	-42.51
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)C1	REAL300002634396	0	50	0.0	-50.49	389.19	11.25	-39.24
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC(C(F)(F)F)=C2)C2CC2)C1	REAL300002634396	1	50	0.0	-51.09	397.61	10.70	-40.39
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300002634508	0	47	0.0	-47.74	373.26	7.62	-40.12
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300002634508	1	47	0.0	-48.14	374.11	8.07	-40.07
O=C([O-])C1CCC[N@H+](CC(=O)N(CCC(F)(F)F)CC2=CC=CC=C2)C1	REAL300002634623	0	49	0.0	-50.01	387.34	11.57	-38.44
O=C([O-])C1CCC[N@@H+](CC(=O)N(CCC(F)(F)F)CC2=CC=CC=C2)C1	REAL300002634623	1	49	0.0	-50.21	392.77	11.54	-38.67
CC1=CC=C(F)C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002634727	0	46	0.0	-47.71	348.48	10.19	-37.52
CC1=CC=C(F)C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002634727	1	46	0.0	-45.93	355.84	10.02	-35.91
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCOC3=C(F)C=CC=C32)C1	REAL300002634845	0	45	0.0	-51.54	341.31	7.33	-44.21
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CCOC3=C(F)C=CC=C32)C1	REAL300002634845	1	45	0.0	-53.97	346.58	7.30	-46.67
CN(CC1(C2=CC=CC=C2)CC1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002634967	0	50	0.0	-45.37	372.40	11.22	-34.15
CN(CC1(C2=CC=CC=C2)CC1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002634967	1	50	0.0	-46.79	375.22	11.19	-35.60
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC(Br)=CC=C3C2)C1	REAL300002635087	0	44	0.0	-51.14	354.38	10.27	-40.87
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC(Br)=CC=C3C2)C1	REAL300002635087	1	44	0.0	-50.01	354.45	10.26	-39.75
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(CCCC3=CC=CC=C3)C2)C1	REAL300002635209	0	59	0.0	-44.16	429.05	12.84	-31.32
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(CCCC3=CC=CC=C3)C2)C1	REAL300002635209	1	59	0.0	-47.09	435.75	13.31	-33.78
COCC(C)OC1=CC=C(Cl)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002635321	1	51	0.0	-49.04	407.84	8.18	-40.86
COCC(C)OC1=CC=C(Cl)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002635321	1	51	0.0	-48.75	402.92	8.20	-40.55
CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(C)=C1Br	REAL300002635433	0	43	0.0	-50.53	342.19	9.09	-41.44
CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(C)=C1Br	REAL300002635433	1	43	0.0	-47.87	340.91	8.61	-39.26
COCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300002635548	0	47	0.0	-48.71	381.37	8.00	-40.71
COCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300002635548	1	47	0.0	-46.85	375.86	8.03	-38.82
CCC(CC1=CC=CC=C1C(F)(F)F)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002635664	0	52	0.0	-49.10	398.76	10.62	-38.48
CCC(CC1=CC=CC=C1C(F)(F)F)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002635664	1	52	0.0	-45.24	393.29	10.64	-34.60
CC1=CC=C(OCC2=CC=CC=C2)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002635842	1	54	0.0	-47.71	421.95	11.38	-36.33
CC1=CC=C(OCC2=CC=CC=C2)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002635842	1	54	0.0	-46.92	415.65	11.40	-35.52
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2OCC(F)F)C1	REAL300002635941	1	44	0.0	-48.61	348.17	7.99	-40.62
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2OCC(F)F)C1	REAL300002635941	1	44	0.0	-49.09	346.53	7.55	-41.54
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OCC(F)(F)F)C(Cl)=C2)C1	REAL300002636046	0	44	0.0	-58.78	371.70	8.55	-50.23
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OCC(F)(F)F)C(Cl)=C2)C1	REAL300002636046	1	44	0.0	-54.88	376.92	8.54	-46.34
COC1=CC=CC=C1C1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC1	REAL300002636161	0	54	0.0	-48.06	398.63	9.21	-38.85
COC1=CC=CC=C1C1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC1	REAL300002636161	1	54	0.0	-47.18	404.81	9.23	-37.95
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC3=C(C=C2OC(F)F)OCO3)C1	REAL300002636287	0	47	0.0	-54.21	380.95	5.70	-48.51
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC3=C(C=C2OC(F)F)OCO3)C1	REAL300002636287	1	47	0.0	-51.42	374.75	5.68	-45.74
COC1=CC=CC=C1C(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC(C)C	REAL300002636407	0	57	0.0	-47.88	428.10	8.23	-39.65
COC1=CC=CC=C1C(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC(C)C	REAL300002636407	1	57	0.0	-48.33	439.87	8.51	-39.82
COCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C(F)=C1	REAL300002636521	0	47	0.0	-51.57	377.33	7.60	-43.97
COCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C(F)=C1	REAL300002636521	1	47	0.0	-52.27	378.46	7.64	-44.63
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=C(F)C=CC=C2F)C2CC2)C1	REAL300002636629	0	47	0.0	-43.00	359.83	10.65	-32.35
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=C(F)C=CC=C2F)C2CC2)C1	REAL300002636629	1	47	0.0	-44.22	369.78	10.96	-33.26
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(COCC(F)(F)F)=C2)C1	REAL300002636744	0	50	0.0	-52.04	413.19	8.57	-43.47
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(COCC(F)(F)F)=C2)C1	REAL300002636744	1	50	0.0	-51.19	406.99	8.55	-42.64
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)C1	REAL300002636851	0	52	0.0	-61.12	413.34	5.93	-55.19
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(N3CCCS3(=O)=O)=C2)C1	REAL300002636851	1	52	0.0	-60.97	408.00	5.99	-54.98
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(Cl)C=C3)CCC2)C1	REAL300002636950	0	47	0.0	-46.80	363.86	9.29	-37.51
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C(Cl)C=C3)CCC2)C1	REAL300002636950	1	47	0.0	-49.88	370.68	9.83	-40.05
CCC1=CC=C(C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCO2)C=C1	REAL300002637142	0	54	0.0	-49.18	408.55	10.39	-38.79
CCC1=CC=C(C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCO2)C=C1	REAL300002637142	1	54	0.0	-45.91	401.21	9.90	-36.01
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OCC3CCCCO3)CC2)C1	REAL300002637272	0	58	0.0	-46.44	416.54	8.34	-38.10
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OCC3CCCCO3)CC2)C1	REAL300002637272	1	58	0.0	-48.86	424.00	8.78	-40.08
CCS(=O)(=O)C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002637488	0	49	0.0	-60.13	375.44	5.72	-54.41
CCS(=O)(=O)C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002637488	1	49	0.0	-61.27	375.62	5.74	-55.53
CC(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300002637603	0	52	0.0	-50.89	404.05	10.44	-40.45
CC(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300002637603	1	52	0.0	-51.55	404.47	10.53	-41.02
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300002637711	0	52	0.0	-51.08	404.48	10.23	-40.85
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300002637711	1	52	0.0	-48.11	397.77	9.79	-38.32
CC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1Br	REAL300002637833	0	43	0.0	-47.03	347.17	8.47	-38.56
CC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1Br	REAL300002637833	1	43	0.0	-47.14	353.36	8.49	-38.65
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1Br	REAL300002637946	0	46	0.0	-44.94	356.49	9.45	-35.49
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1Br	REAL300002637946	1	46	0.0	-43.25	349.13	9.00	-34.25
CCCN(CCC1=CC=CS1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002638086	0	49	0.0	-44.67	381.04	10.60	-34.07
CCCN(CCC1=CC=CS1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002638086	1	49	0.0	-43.72	379.82	10.57	-33.15
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2NC=CC2=C1	REAL300002638197	0	47	0.0	-53.19	358.67	9.95	-43.24
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2NC=CC2=C1	REAL300002638197	1	47	0.0	-46.34	355.63	9.39	-36.95
CCC(CN(CC)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002638409	0	55	0.0	-44.41	405.45	12.09	-32.32
CCC(CN(CC)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002638409	1	55	0.0	-48.28	400.96	12.16	-36.12
CC(C)OC1=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300002638606	0	56	0.0	-46.73	420.61	10.42	-36.31
CC(C)OC1=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300002638606	1	56	0.0	-47.73	426.83	10.45	-37.28
CC1COC(C2=CC=CC(Cl)=C2)CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002638714	0	51	0.0	-47.93	390.92	10.02	-37.91
CC1COC(C2=CC=CC(Cl)=C2)CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002638714	1	51	0.0	-49.00	397.61	10.06	-38.94
COC1=CC=CC=C1C(CC(C)C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002638874	0	56	0.0	-46.70	403.35	9.09	-37.61
COC1=CC=CC=C1C(CC(C)C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002638874	1	56	0.0	-50.12	404.37	9.89	-40.23
COC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300002639074	0	47	0.0	-49.65	369.79	7.42	-42.23
COC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300002639074	1	47	0.0	-48.40	367.08	6.97	-41.43
CCOC(CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)C	REAL300002639165	0	52	0.0	-48.19	387.21	7.18	-41.01
CCOC(CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)C	REAL300002639165	1	52	0.0	-48.74	386.71	7.21	-41.53
CCOC(CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCC1	REAL300002639274	0	56	0.0	-47.86	410.51	8.52	-39.34
CCOC(CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCC1	REAL300002639274	1	56	0.0	-48.72	411.07	8.54	-40.18
CS(=O)(=O)CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300002639393	1	46	0.0	-61.27	380.30	5.53	-55.74
CS(=O)(=O)CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300002639393	1	46	0.0	-59.93	374.83	5.56	-54.37
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3=CC=C(F)C=C3Cl)C2)C1	REAL300002639513	0	48	0.0	-46.32	377.99	9.00	-37.32
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3=CC=C(F)C=C3Cl)C2)C1	REAL300002639513	1	48	0.0	-50.13	384.73	9.47	-40.66
CCCOC1=CC=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300002639638	0	54	0.0	-49.79	406.07	10.66	-39.13
CCCOC1=CC=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300002639638	1	54	0.0	-51.00	405.96	10.67	-40.33
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC(CC3=CC=CC=C3)C2)C1	REAL300002639799	0	53	0.0	-49.12	401.78	10.89	-38.23
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC(CC3=CC=CC=C3)C2)C1	REAL300002639799	1	53	0.0	-48.39	400.39	10.84	-37.55
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(F)C=C2OCCC(F)(F)F)C1	REAL300002639910	1	47	0.0	-50.81	380.38	8.93	-41.88
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(F)C=C2OCCC(F)(F)F)C1	REAL300002639910	1	47	0.0	-49.87	379.57	8.49	-41.38
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(Br)C=CC(F)=C3C2)C1	REAL300002640001	0	44	0.0	-44.43	349.31	9.76	-34.67
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(Br)C=CC(F)=C3C2)C1	REAL300002640001	1	44	0.0	-46.86	356.79	10.18	-36.68
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=C(F)C=C3F)CCCC2)C1	REAL300002640109	0	53	0.0	-50.88	397.25	11.03	-39.85
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=C(F)C=C3F)CCCC2)C1	REAL300002640109	1	53	0.0	-47.63	391.21	11.12	-36.51
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(CCC(F)(F)F)=C2)C1	REAL300002640236	0	46	0.0	-51.17	367.27	9.91	-41.26
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(CCC(F)(F)F)=C2)C1	REAL300002640236	1	46	0.0	-51.21	372.47	9.91	-41.30
CC(C)(C)C1CCCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002640365	0	58	0.0	-46.60	399.61	9.59	-37.01
CC(C)(C)C1CCCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002640365	1	58	0.0	-46.89	393.95	9.64	-37.25
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC3(CCOCC3)C2)C1	REAL300002640481	0	49	0.0	-50.12	353.67	6.19	-43.93
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC3(CCOCC3)C2)C1	REAL300002640481	1	49	0.0	-49.79	347.49	6.16	-43.63
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC2(CCOC2)O1	REAL300002640591	0	49	0.0	-49.84	358.63	5.78	-44.06
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC2(CCOC2)O1	REAL300002640591	1	49	0.0	-51.12	358.63	5.76	-45.36
CSC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC1	REAL300002640661	0	44	0.0	-45.05	339.63	7.59	-37.46
CSC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC1	REAL300002640661	1	44	0.0	-46.27	345.07	7.60	-38.67
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300002640748	1	51	0.0	-48.55	399.26	10.31	-38.24
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300002640748	1	51	0.0	-48.26	405.54	10.28	-37.98
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCC2(CCOCC2)CC1	REAL300002640859	0	54	0.0	-48.07	373.08	7.38	-40.69
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCC2(CCOCC2)CC1	REAL300002640859	1	54	0.0	-48.95	372.92	7.22	-41.73
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002640985	0	49	0.0	-58.12	388.47	5.89	-52.23
CS(=O)(=O)CC1=CC=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002640985	1	49	0.0	-56.37	385.20	5.39	-50.98
O=C([O-])C1CCC[N@H+](CC(=O)N(CCC2=CC=C(F)C=C2)C2CCCC2)C1	REAL300002641180	0	56	0.0	-49.18	419.37	12.86	-36.32
O=C([O-])C1CCC[N@@H+](CC(=O)N(CCC2=CC=C(F)C=C2)C2CCCC2)C1	REAL300002641180	1	56	0.0	-46.00	413.49	12.38	-33.62
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCN(S(C)(=O)=O)CC1	REAL300002641284	0	51	0.0	-57.01	387.83	5.29	-51.72
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCN(S(C)(=O)=O)CC1	REAL300002641284	1	51	0.0	-57.68	387.72	5.28	-52.40
CCCC1(COC)CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002641433	0	53	0.0	-47.24	382.57	9.09	-38.15
CCCC1(COC)CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002641433	1	53	0.0	-47.97	382.70	9.11	-38.86
CCCOC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300002641544	0	53	0.0	-47.59	400.66	8.93	-38.66
CCCOC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300002641544	1	53	0.0	-49.57	406.83	8.94	-40.63
CC1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1C1=CC=CC=C1	REAL300002641675	0	53	0.0	-46.91	389.03	11.00	-35.91
CC1(C)CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1C1=CC=CC=C1	REAL300002641675	1	53	0.0	-43.68	381.25	10.99	-32.69
CSC1CCCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002641770	0	47	0.0	-48.04	351.20	9.53	-38.51
CSC1CCCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002641770	1	47	0.0	-44.63	343.71	9.08	-35.55
COC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002641867	1	52	0.0	-48.98	400.38	9.15	-39.83
COC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002641867	1	52	0.0	-49.62	402.11	9.56	-40.06
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2CCCC2=CC=CC=C2)C1	REAL300002641968	0	59	0.0	-47.58	430.43	13.31	-34.27
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2CCCC2=CC=CC=C2)C1	REAL300002641968	1	59	0.0	-46.10	424.07	13.30	-32.80
CCOC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002642081	0	50	0.0	-50.45	383.38	8.32	-42.13
CCOC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002642081	1	50	0.0	-49.79	389.60	8.34	-41.45
CC(C)(COCC1=CC=CC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002642195	0	53	0.0	-49.93	403.35	8.90	-41.03
CC(C)(COCC1=CC=CC=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002642195	1	53	0.0	-50.65	403.99	8.92	-41.73
COC1=CC(C)=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300002642304	1	44	0.0	-55.53	343.45	7.48	-48.05
COC1=CC(C)=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300002642304	1	44	0.0	-55.50	338.00	7.52	-47.98
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC23CCOC3)C1	REAL300002642458	0	46	0.0	-46.46	324.68	5.06	-41.40
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC23CCOC3)C1	REAL300002642458	1	46	0.0	-49.86	332.09	5.54	-44.32
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2CCOCC2)C1	REAL300002642546	0	51	0.0	-47.84	365.74	8.57	-39.27
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2CCOCC2)C1	REAL300002642546	1	51	0.0	-47.14	364.85	8.56	-38.58
CC(C)CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002642652	0	57	0.0	-57.20	426.47	5.93	-51.27
CC(C)CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002642652	1	57	0.0	-58.39	433.16	5.98	-52.41
CC(C)(C)CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(F)(F)F	REAL300002642768	1	48	0.0	-49.03	363.32	8.96	-40.07
CC(C)(C)CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(F)(F)F	REAL300002642768	1	48	0.0	-50.59	357.82	8.98	-41.61
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300002642879	0	50	0.0	-50.03	388.34	8.48	-41.55
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300002642879	1	50	0.0	-49.35	382.87	8.51	-40.84
CC1COC2=CC=CC=C2CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002642977	0	48	0.0	-48.16	355.72	9.21	-38.95
CC1COC2=CC=CC=C2CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002642977	1	48	0.0	-44.11	348.49	8.79	-35.32
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC3=C2OCO3)C1	REAL300002643044	1	40	0.0	-48.15	310.59	5.98	-42.17
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC3=C2OCO3)C1	REAL300002643044	1	40	0.0	-49.15	309.16	5.55	-43.60
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC3(CCOCC3)C2)C1	REAL300002643145	0	52	0.0	-49.56	353.71	6.55	-43.01
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC3(CCOCC3)C2)C1	REAL300002643145	1	52	0.0	-50.74	359.67	6.54	-44.20
CC1=CC=C(C(CC(F)(F)F)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002643260	0	49	0.0	-48.82	381.73	9.88	-38.94
CC1=CC=C(C(CC(F)(F)F)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002643260	1	49	0.0	-48.69	373.77	9.81	-38.88
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(C4=CC=CC=C4)C=CC=C32)C1	REAL300002643376	0	51	0.0	-50.90	392.44	12.98	-37.92
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(C4=CC=CC=C4)C=CC=C32)C1	REAL300002643376	1	51	0.0	-51.64	386.27	12.96	-38.68
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1F	REAL300002643495	0	46	0.0	-47.91	363.64	9.09	-38.82
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(Cl)=C1F	REAL300002643495	1	46	0.0	-43.50	357.45	9.24	-34.26
COC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300002643578	0	50	0.0	-45.94	355.36	6.80	-39.14
COC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300002643578	1	50	0.0	-46.90	361.42	6.79	-40.11
CC1(C2=CC=CC=C2)CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002643684	0	50	0.0	-49.08	371.00	10.34	-38.74
CC1(C2=CC=CC=C2)CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002643684	1	50	0.0	-46.48	369.08	9.83	-36.65
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1(C2=CC=CC=C2)CCCC1	REAL300002643798	0	56	0.0	-46.78	397.94	11.35	-35.43
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1(C2=CC=CC=C2)CCCC1	REAL300002643798	1	56	0.0	-47.59	399.10	11.38	-36.21
O=C([O-])C1CCC[N@H+](CC(=O)NC2(CC3=CC=CC(F)=C3)CCC2)C1	REAL300002643906	0	50	0.0	-48.11	384.99	10.32	-37.79
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(CC3=CC=CC(F)=C3)CCC2)C1	REAL300002643906	1	50	0.0	-49.05	384.74	10.27	-38.78
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3=CC=C(C4=CC=CC=C4)C=C32)C1	REAL300002644092	0	54	0.0	-48.34	408.14	12.10	-36.24
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3=CC=C(C4=CC=CC=C4)C=C32)C1	REAL300002644092	1	54	0.0	-49.29	413.60	12.06	-37.23
CCOC1CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002644180	0	50	0.0	-48.59	375.57	7.17	-41.42
CCOC1CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002644180	1	50	0.0	-46.15	373.64	6.74	-39.41
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2O1	REAL300002644286	0	46	0.0	-49.06	363.93	8.75	-40.31
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2O1	REAL300002644286	1	46	0.0	-47.05	358.46	8.78	-38.27
CC1(C)C(C(F)(F)F)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002644396	0	46	0.0	-46.33	337.06	8.34	-37.99
CC1(C)C(C(F)(F)F)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002644396	1	46	0.0	-49.59	337.83	8.81	-40.78
O=C([O-])C1CCC[N@H+](CC(=O)NCC(F)(F)C(F)F)C1	REAL300002644462	1	36	0.0	-51.83	302.88	5.66	-46.17
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(F)(F)C(F)F)C1	REAL300002644462	1	36	0.0	-51.26	302.24	5.64	-45.62
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3(CCC3)C3=CC=CC=C32)C1	REAL300002644555	0	48	0.0	-44.73	357.97	10.91	-33.82
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3(CCC3)C3=CC=CC=C32)C1	REAL300002644555	1	48	0.0	-44.05	357.33	10.89	-33.16
CC(C)(C)C1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300002644676	0	53	0.0	-44.06	373.09	11.04	-33.02
CC(C)(C)C1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300002644676	1	53	0.0	-44.39	379.34	11.06	-33.33
CC1CCSCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002644819	0	44	0.0	-46.30	322.83	8.79	-37.51
CC1CCSCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002644819	1	44	0.0	-43.18	315.06	8.33	-34.85
CN(CC1=CC=C(F)C=C1Br)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002644913	0	43	0.0	-44.68	345.09	9.82	-34.86
CN(CC1=CC=C(F)C=C1Br)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002644913	1	43	0.0	-49.61	351.34	10.04	-39.57
CC(C)OC1=CC=C(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002645032	0	50	0.0	-46.54	375.28	9.40	-37.14
CC(C)OC1=CC=C(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002645032	1	50	0.0	-50.28	382.53	9.85	-40.43
CC1=CC=CC(COC2=CC=C(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=C1	REAL300002645144	0	57	0.0	-49.32	443.17	11.36	-37.96
CC1=CC=CC(COC2=CC=C(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=C1	REAL300002645144	1	57	0.0	-50.77	449.38	11.38	-39.39
COC1=CC=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCOC2=C1	REAL300002645293	0	49	0.0	-51.27	371.22	7.91	-43.36
COC1=CC=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCOC2=C1	REAL300002645293	1	49	0.0	-52.02	371.08	7.91	-44.11
COC1(C)CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002645426	0	50	0.0	-42.59	343.30	7.82	-34.77
COC1(C)CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002645426	1	50	0.0	-45.64	350.88	8.25	-37.39
CC1(C)CCC2=CC=CC=C2C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002645539	0	56	0.0	-46.35	395.49	10.68	-35.67
CC1(C)CCC2=CC=CC=C2C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002645539	1	56	0.0	-48.49	396.30	11.13	-37.36
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CC(C)C(C(=O)NC1=CC=C(C(C)C(=O)[O-])C=C1)[NH+]1CCCCC1	REAL300002655178	0	52	0.0	-66.65	373.76	10.70	-55.95
CC(C(=O)[O-])C1=CC=C(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)C=C1	REAL300002655179	1	46	0.0	-71.51	362.35	10.24	-61.27
CC(C(=O)[O-])C1=CC=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300002655183	0	51	0.0	-72.33	402.03	8.21	-64.12
CC(C(=O)[O-])C1=CC=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300002655183	1	51	0.0	-72.90	400.79	8.15	-64.75
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(C(C)C(=O)[O-])C=C1	REAL300002655189	1	47	0.0	-68.06	372.81	9.91	-58.15
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C=C1	REAL300002655190	0	49	0.0	-64.72	387.72	10.56	-54.16
CC(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1	REAL300002655196	0	50	0.0	-75.91	364.70	9.85	-66.06
CC(C(=O)[O-])C1=CC=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1	REAL300002655196	1	50	0.0	-71.29	373.53	10.18	-61.11
CC(C(=O)[O-])C1=CC=C(NC(=O)C(C)[NH+]2CCCCCC2)C=C1	REAL300002655227	0	49	0.0	-71.33	359.29	9.53	-61.80
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C=C1	REAL300002655264	1	51	0.0	-80.33	400.31	10.69	-69.64
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C=C1	REAL300002655264	1	51	0.0	-83.50	401.90	10.67	-72.83
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)O1	REAL300002655322	0	49	0.0	-77.49	387.79	9.93	-67.56
CC(C(=O)[O-])C1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C=C1	REAL300002655323	0	49	0.0	-74.66	379.54	10.08	-64.58
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(C(C)C(=O)[O-])C=C3)CC2)[NH+]=C1	REAL300002655325	1	52	0.0	-72.50	401.21	9.81	-62.69
CC(C(=O)[O-])C1=CC=C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C=C1	REAL300002655326	1	46	0.0	-79.79	365.16	10.33	-69.46
CC(C(=O)[O-])C1=CC=C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C=C1	REAL300002655326	1	46	0.0	-77.45	364.87	10.35	-67.10
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=CC=C(C(C)C(=O)[O-])C=C3)C=C2)CC1	REAL300002655330	0	58	0.0	-80.86	433.54	10.60	-70.26
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C=C1	REAL300002655379	1	42	0.0	-79.87	346.33	7.74	-72.13
CC(C(=O)[O-])C1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C=C1	REAL300002655383	0	53	0.0	-77.48	409.93	11.72	-65.76
CC(C(=O)[O-])C1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C=C1	REAL300002655383	1	53	0.0	-83.27	414.50	11.83	-71.44
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(C(C)C(=O)[O-])C=C1	REAL300002655402	0	46	0.0	-69.14	346.83	8.76	-60.38
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C(C)C(=O)[O-])C=C1	REAL300002655402	1	46	0.0	-66.85	350.16	8.97	-57.88
CC(C(=O)[O-])C1=CC=C(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C=C1	REAL300002655409	0	54	0.0	-80.90	429.85	11.21	-69.69
CC(C(=O)[O-])C1=CC=C(NC(=O)COC2CC[NH+](C)CC2)C=C1	REAL300002655428	0	47	0.0	-79.92	367.33	8.75	-71.17
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1	REAL300002655434	0	50	0.0	-78.96	394.35	10.44	-68.52
CC(C(=O)[O-])C1=CC=C(NC(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C=C1	REAL300002655477	0	52	0.0	-81.20	403.10	9.99	-71.21
CC(C(=O)[O-])C1=CC=C(NC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C=C1	REAL300002655477	1	52	0.0	-74.31	401.37	9.99	-64.32
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)C1	REAL300002655630	0	49	0.0	-66.89	364.90	9.95	-56.94
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)C1	REAL300002655630	1	49	0.0	-66.69	365.92	9.99	-56.70
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(C(C)C(=O)[O-])C=C1	REAL300002655663	0	49	0.0	-69.90	372.36	9.88	-60.02
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(C(C)C(=O)[O-])C=C1	REAL300002655663	1	49	0.0	-69.66	367.24	9.42	-60.24
CC(C(=O)[O-])C1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1	REAL300002655664	1	47	0.0	-77.07	362.18	5.91	-71.16
CC(C(=O)[O-])C1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C1	REAL300002655766	0	54	0.0	-81.77	417.15	12.21	-69.56
CC(C(=O)[O-])C1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C1	REAL300002655766	1	54	0.0	-80.16	419.85	12.25	-67.91
CC(C(=O)[O-])C1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C=C1	REAL300002655807	1	53	0.0	-77.90	403.10	11.78	-66.12
CC(C(=O)[O-])C1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C=C1	REAL300002655807	1	53	0.0	-72.89	413.84	12.00	-60.89
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)C1	REAL300002655905	0	49	0.0	-71.00	366.08	9.53	-61.47
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)C1	REAL300002655905	1	49	0.0	-66.28	361.33	9.79	-56.49
CC(C(=O)[O-])C1=CC=C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C=C1	REAL300002655906	0	43	0.0	-81.41	341.64	8.51	-72.90
CC(C(=O)[O-])C1=CC=C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C=C1	REAL300002655906	1	43	0.0	-85.01	352.42	8.52	-76.49
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)N1	REAL300002655931	1	44	0.0	-68.76	358.45	8.05	-60.71
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C=C1	REAL300002656435	0	49	0.0	-77.49	388.30	11.05	-66.44
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C=C1	REAL300002656443	0	50	0.0	-86.35	396.19	10.02	-76.33
CC(C(=O)[O-])C1=CC=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300002656544	0	56	0.0	-78.29	427.38	12.69	-65.60
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(CN3CCOC(C)C3)C=C2)C=C1	REAL300002656546	0	54	0.0	-85.31	414.02	10.40	-74.91
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C=C1	REAL300002656546	1	54	0.0	-82.31	413.77	10.41	-71.90
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C=C1	REAL300002656546	1	54	0.0	-82.31	413.77	10.41	-71.90
CC(C(=O)[O-])C1=CC=C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C=C1	REAL300002656593	0	49	0.0	-71.89	361.29	9.48	-62.41
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(C(C)C(=O)[O-])C=C3)=CN21	REAL300002656597	0	41	0.0	-73.31	340.10	10.03	-63.28
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)C1	REAL300002656660	0	52	0.0	-67.41	379.67	10.61	-56.80
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)C1	REAL300002656660	1	52	0.0	-72.64	388.59	10.43	-62.21
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)C1	REAL300002656661	0	46	0.0	-66.45	343.41	9.21	-57.24
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C(C)C(=O)[O-])C=C2)C1	REAL300002656661	1	46	0.0	-67.62	343.42	9.20	-58.42
CC(C(=O)[O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C=C1	REAL300002656667	1	43	0.0	-79.71	351.69	8.47	-71.24
CC(C(=O)[O-])C1=CC=C(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)C=C1	REAL300002656673	0	52	0.0	-77.36	379.07	9.90	-67.46
CC(C(=O)[O-])C1=CC=C(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C=C1	REAL300002656673	1	52	0.0	-80.04	370.89	9.43	-70.61
CC(C(=O)[O-])C1=CC=C(NC(=O)C23CC(C2)CN3C2CC2)C=C1	REAL300002656676	0	45	0.0	-75.71	351.33	9.34	-66.37
CC(C(=O)[O-])C1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300002656676	1	45	0.0	-75.56	338.34	9.39	-66.17
CC(C(=O)[O-])C1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300002656676	1	45	0.0	-75.71	351.33	9.34	-66.37
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(N3C=NN=N3)=C2)C1	REAL300002656755	1	42	0.0	-60.71	338.57	7.44	-53.27
CC(C)C1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002656876	1	52	0.0	-47.98	388.28	10.21	-37.77
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(C=CS3)C2C2=CC=CS2)C1	REAL300002656981	1	48	0.0	-49.00	385.92	11.31	-37.69
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCS(=O)(=O)C3=CC=CC=C32)C1	REAL300002657089	0	47	0.0	-63.92	367.33	5.11	-58.81
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCS(=O)(=O)C3=CC=CC=C32)C1	REAL300002657089	1	47	0.0	-63.28	367.17	5.15	-58.13
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Br	REAL300002657217	0	40	0.0	-51.24	329.44	8.49	-42.75
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Br	REAL300002657217	1	40	0.0	-52.45	323.98	8.52	-43.93
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(F)C(F)=C2)C1	REAL300002657312	0	40	0.0	-52.89	329.41	7.54	-45.35
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(F)C(F)=C2)C1	REAL300002657312	1	40	0.0	-49.86	323.20	7.52	-42.34
COC1=CC=CC(C)=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002657373	1	44	0.0	-46.41	337.42	7.26	-39.15
COC1=CC=CC(C)=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002657373	1	44	0.0	-48.02	337.75	7.65	-40.37
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3C=CNC3=C2)C1	REAL300002657435	0	41	0.0	-52.02	316.14	7.34	-44.68
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3C=CNC3=C2)C1	REAL300002657435	1	41	0.0	-49.49	315.34	6.90	-42.59
COC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300002657576	1	41	0.0	-53.63	335.75	7.14	-46.49
COC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300002657576	1	41	0.0	-52.82	330.02	7.19	-45.63
COC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300002657660	1	41	0.0	-54.95	325.96	6.66	-48.29
COC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300002657660	1	41	0.0	-54.08	320.23	6.70	-47.38
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=C(F)C=CC=C2Cl)C1	REAL300002657762	0	40	0.0	-47.69	336.08	7.85	-39.84
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=C(F)C=CC=C2Cl)C1	REAL300002657762	1	40	0.0	-46.97	336.18	7.84	-39.13
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(F)C=C2Br)C1	REAL300002657882	0	40	0.0	-49.27	341.34	8.09	-41.18
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(F)C=C2Br)C1	REAL300002657882	1	40	0.0	-48.27	335.38	7.97	-40.30
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(F)C=C2F)C1	REAL300002657972	0	40	0.0	-49.80	328.79	7.51	-42.29
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(F)C=C2F)C1	REAL300002657972	1	40	0.0	-49.15	322.50	7.49	-41.66
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=CC=C2OC(F)F)C1	REAL300002658082	0	47	0.0	-53.31	376.27	7.83	-45.48
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=CC=C2OC(F)F)C1	REAL300002658082	1	47	0.0	-52.84	370.07	7.80	-45.04
CCOC1=CC=CC=C1C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002658211	0	50	0.0	-50.41	377.24	8.65	-41.76
CCOC1=CC=CC=C1C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002658211	1	50	0.0	-49.44	377.23	8.61	-40.83
CC1=CC=CC=C1C(C)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002658337	0	49	0.0	-46.37	360.31	10.39	-35.98
CC1=CC=CC=C1C(C)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002658337	1	49	0.0	-46.99	361.01	10.38	-36.61
CCOC1=CC=CC=C1C(CC)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002658437	0	53	0.0	-46.49	390.22	8.76	-37.73
CCOC1=CC=CC=C1C(CC)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002658437	1	53	0.0	-51.31	400.20	9.90	-41.41
CCN(CC1=CC=CC(Br)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002658553	0	46	0.0	-47.55	374.42	11.01	-36.54
CCN(CC1=CC=CC(Br)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002658553	1	46	0.0	-44.34	366.99	10.55	-33.79
CCOCCOCC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002658676	0	54	0.0	-51.44	422.35	8.23	-43.21
CCOCCOCC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002658676	1	54	0.0	-53.11	417.15	8.23	-44.88
CC(C1=CC=C(Cl)C(Cl)=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002658823	0	46	0.0	-46.87	371.14	10.96	-35.91
CC(C1=CC=C(Cl)C(Cl)=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002658823	1	46	0.0	-47.57	374.90	11.04	-36.53
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)C3=CC=CC=C3)CC2)C1	REAL300002658930	0	52	0.0	-52.44	399.53	6.75	-45.69
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)C3=CC=CC=C3)CC2)C1	REAL300002658930	1	52	0.0	-55.90	407.01	7.21	-48.69
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C3OCCOC3=C2)C1	REAL300002659039	0	46	0.0	-51.69	361.21	6.58	-45.11
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C3OCCOC3=C2)C1	REAL300002659039	1	46	0.0	-49.44	355.00	6.56	-42.88
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300002659168	0	44	0.0	-54.64	361.83	7.98	-46.66
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C[NH+](C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300002664742	1	50	0.0	-52.57	380.63	11.44	-41.13
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CC[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1)C1CC1	REAL300002664761	1	47	0.0	-53.77	355.13	10.12	-43.65
CC(C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1)[NH+]1CC(C)OC(C)C1	REAL300002664789	1	60	0.0	-53.51	418.86	10.73	-42.78
CC(C(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1)[NH+]1CCCCCC1	REAL300002664790	0	53	0.0	-51.87	374.86	10.53	-41.34
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300002664794	0	44	0.0	-54.05	331.28	9.03	-45.02
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300002664794	1	44	0.0	-55.31	327.13	8.67	-46.64
CC(C)(C)[NH2+]CC(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300002664879	0	46	0.0	-55.32	346.89	7.85	-47.47
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)O1	REAL300002664881	0	53	0.0	-60.81	405.36	11.35	-49.46
O=C([O-])[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C1=CC=CC=C1	REAL300002664882	0	53	0.0	-63.29	397.64	11.38	-51.91
CC1=CC=C(N2CCC(C(=O)N3C[C@@H](C(=O)[O-])[C@@H](C4=CC=CC=C4)C3)CC2)[NH+]=C1	REAL300002664884	1	56	0.0	-59.13	418.08	10.97	-48.16
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C[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1)CC1=CC=CC=C1	REAL300002664885	1	50	0.0	-59.10	384.70	11.74	-47.36
CC(C)[C@@H](C(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1)[NH+](C)C	REAL300002664896	0	49	0.0	-55.23	350.36	9.85	-45.38
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300002664946	0	57	0.0	-61.12	426.80	13.21	-47.91
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300002664946	1	57	0.0	-61.43	430.03	13.05	-48.38
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300002664960	0	50	0.0	-51.70	358.58	10.35	-41.35
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300002664960	1	50	0.0	-51.97	362.31	10.07	-41.90
C[NH+]1CCC(OCC(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)CC1	REAL300002664982	0	51	0.0	-67.29	387.90	10.32	-56.97
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C[C@@H]1C1=CC=CC=C1	REAL300002664987	0	54	0.0	-61.63	409.13	11.76	-49.87
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C1	REAL300002665177	0	53	0.0	-53.93	381.07	11.03	-42.90
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C1	REAL300002665177	1	53	0.0	-59.00	387.12	10.87	-48.13
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300002665208	0	53	0.0	-52.14	379.02	11.37	-40.77
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](C2=CC=CC=C2)C1	REAL300002665208	1	53	0.0	-53.24	388.80	11.19	-42.05
O=C([O-])[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@@H]1C1=CC=CC=C1	REAL300002665209	0	51	0.0	-58.39	381.37	7.32	-51.07
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C1	REAL300002665437	0	53	0.0	-66.01	386.69	10.86	-55.15
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C1	REAL300002665437	1	53	0.0	-57.73	382.99	10.68	-47.05
C[N@@H+]1CC(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C(C(F)(F)F)C1	REAL300002665438	0	47	0.0	-63.33	369.90	9.77	-53.56
C[N@H+]1CC(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C(C(F)(F)F)C1	REAL300002665438	1	47	0.0	-69.69	358.46	10.24	-59.45
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)N1	REAL300002665463	1	48	0.0	-55.08	378.18	9.46	-45.62
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)=C1	REAL300002665947	0	53	0.0	-69.94	404.32	12.03	-57.91
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C=C1	REAL300002665954	0	54	0.0	-68.13	412.16	11.03	-57.10
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C1	REAL300002666094	0	47	0.0	-62.19	356.38	9.84	-52.35
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)CC1	REAL300002666098	0	53	0.0	-57.46	375.96	10.54	-46.92
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C1	REAL300002666164	0	56	0.0	-52.10	398.57	11.58	-40.52
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C1	REAL300002666164	1	56	0.0	-52.10	398.57	11.58	-40.52
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C1	REAL300002666165	0	50	0.0	-59.97	360.38	10.35	-49.62
CC[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C1	REAL300002666165	1	50	0.0	-59.97	360.38	10.35	-49.62
C[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C1	REAL300002666170	0	47	0.0	-54.01	342.82	9.54	-44.47
C[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C1	REAL300002666170	1	47	0.0	-54.01	342.82	9.54	-44.47
CN(C)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)O1	REAL300002666172	0	47	0.0	-63.13	367.53	9.88	-53.25
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)O1	REAL300002666172	1	47	0.0	-63.13	367.53	9.88	-53.25
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C1	REAL300002666178	0	56	0.0	-65.70	388.88	10.74	-54.96
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C(=O)[O-])[C@@H](C3=CC=CC=C3)C2)C1	REAL300002666178	1	56	0.0	-65.70	388.88	10.74	-54.96
O=C([O-])[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C[C@@H]1C1=CC=CC=C1	REAL300002666181	0	49	0.0	-50.35	360.91	11.32	-39.03
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300002667485	0	53	0.0	-84.47	409.34	11.97	-72.50
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300002668222	0	50	0.0	-70.36	393.56	11.47	-58.89
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300002668222	1	50	0.0	-71.06	386.19	10.87	-60.19
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300002669172	0	47	0.0	-79.59	356.84	9.61	-69.98
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CCC[N@@H+]2C2CC2)=C1	REAL300002669203	0	44	0.0	-69.98	340.91	8.72	-61.26
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CCC[N@H+]2C2CC2)=C1	REAL300002669203	1	44	0.0	-75.96	341.21	8.83	-67.13
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=CC(C(C)C(=O)[O-])=C3)CN21	REAL300002669209	1	45	0.0	-69.17	356.91	9.54	-59.63
CC(C(=O)[O-])C1=CC=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=C1	REAL300002669210	0	53	0.0	-70.04	412.08	11.87	-58.17
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=CC(C(C)C(=O)[O-])=C3)CC2)=CS1	REAL300002669291	1	52	0.0	-80.09	416.15	10.01	-70.08
CC(C(=O)[O-])C1=CC=CC(NC(=O)C(C)N2CC[NH+](C)CC2)=C1	REAL300002669292	1	48	0.0	-75.31	360.97	6.60	-68.71
CC(C(=O)[O-])C1=CC=CC(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)=C1	REAL300002669379	0	56	0.0	-77.67	441.71	11.51	-66.16
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300002669392	0	56	0.0	-68.36	422.34	12.37	-55.99
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=C1	REAL300002669451	0	38	0.0	-77.25	317.55	10.27	-66.98
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2(C[NH+](C)C)CCCCC2)=C1	REAL300002669482	0	52	0.0	-71.59	376.70	10.19	-61.40
CC(C(=O)[O-])C1=CC=CC(NC(=O)CC[N@H+](C)C2CCCCC2)=C1	REAL300002669487	0	52	0.0	-75.54	386.92	10.34	-65.20
CC(C(=O)[O-])C1=CC=CC(NC(=O)CC[N@@H+](C)C2CCCCC2)=C1	REAL300002669487	1	52	0.0	-74.42	387.45	10.37	-64.05
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)=C1	REAL300002669508	1	53	0.0	-72.34	413.56	11.97	-60.37
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)=C1	REAL300002669508	1	53	0.0	-77.11	413.85	11.99	-65.12
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)=C1	REAL300002669509	1	50	0.0	-72.20	393.00	10.98	-61.22
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=C1	REAL300002669509	1	50	0.0	-74.26	398.92	11.48	-62.78
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C1	REAL300002669565	0	46	0.0	-82.85	377.57	9.37	-73.48
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=C1	REAL300002669592	0	53	0.0	-66.81	382.05	10.70	-56.11
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=C1	REAL300002669592	1	53	0.0	-65.24	384.66	10.59	-54.65
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=C1	REAL300002669593	0	54	0.0	-73.14	393.99	8.89	-64.25
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=CC(C(C)C(=O)[O-])=C1	REAL300002669624	1	44	0.0	-74.23	358.62	9.66	-64.57
CC(C(=O)[O-])C1=CC=CC(NC(=O)CCCC[NH+]2CCOCC2)=C1	REAL300002669625	1	50	0.0	-79.13	387.28	8.38	-70.75
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)C=C1)C(C)C	REAL300002669627	0	55	0.0	-77.16	408.81	11.65	-65.51
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=CC(C(C)C(=O)[O-])=C2)C=C1)C(C)C	REAL300002669627	1	55	0.0	-75.39	405.94	11.44	-63.95
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300002669652	0	50	0.0	-74.02	392.14	11.16	-62.86
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300002669652	1	50	0.0	-74.31	393.59	11.24	-63.07
CC(C(=O)[O-])C1=CC=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=C1	REAL300002669653	0	51	0.0	-87.15	392.05	10.63	-76.52
CC(C(=O)[O-])C1=CC=CC(NC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)=C1	REAL300002669681	1	55	0.0	-72.81	421.49	10.06	-62.75
CC(C(=O)[O-])C1=CC=CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=C1	REAL300002669682	0	54	0.0	-76.78	381.43	8.41	-68.37
CCC(C(=O)NC1=CC=CC(C(C)C(=O)[O-])=C1)[NH+](CC)CC	REAL300002669686	0	48	0.0	-64.68	353.54	9.21	-55.47
CC(C(=O)[O-])C1=CC=CC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=C1	REAL300002669688	0	49	0.0	-72.65	382.55	10.73	-61.92
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CC(C(=O)[O-])C1=CC=CC(NC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)=C1	REAL300002670720	1	52	0.0	-70.38	400.39	10.02	-60.36
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CC(C(=O)[O-])C1=CC=CC(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=C1	REAL300002671836	0	49	0.0	-64.14	361.26	9.46	-54.68
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COC1=CC(NC(=O)C2CCC[N@H+]2C2CC2)=CC=C1C(=O)[O-]	REAL300002684396	1	42	0.0	-80.07	328.58	7.93	-72.14
COC1=CC(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)=CC=C1C(=O)[O-]	REAL300002684402	1	43	0.0	-79.26	343.93	8.28	-70.98
COC1=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002684403	0	51	0.0	-91.18	397.39	10.76	-80.42
COC1=CC(NC(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)=CC=C1C(=O)[O-]	REAL300002684482	1	50	0.0	-92.19	404.37	8.49	-83.70
COC1=CC(NC(=O)C(C)N2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300002684483	1	46	0.0	-84.18	349.48	5.40	-78.78
COC1=CC(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300002684570	0	54	0.0	-88.33	430.23	10.33	-78.00
COC1=CC(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300002684584	0	54	0.0	-82.61	410.35	11.19	-71.42
COC1=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=CC=C1C(=O)[O-]	REAL300002684644	0	36	0.0	-85.40	306.36	9.07	-76.33
COC1=CC(NC(=O)C2(C[NH+](C)C)CCCCC2)=CC=C1C(=O)[O-]	REAL300002684677	0	50	0.0	-88.68	359.45	8.99	-79.69
COC1=CC(NC(=O)CC[N@H+](C)C2CCCCC2)=CC=C1C(=O)[O-]	REAL300002684682	0	50	0.0	-88.66	374.62	9.16	-79.50
COC1=CC(NC(=O)CC[N@@H+](C)C2CCCCC2)=CC=C1C(=O)[O-]	REAL300002684682	1	50	0.0	-88.65	374.61	9.16	-79.49
COC1=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300002684704	1	48	0.0	-86.62	380.48	9.75	-76.87
COC1=CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300002684704	1	48	0.0	-86.82	380.62	9.76	-77.06
COC1=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=CC=C1C(=O)[O-]	REAL300002684762	0	44	0.0	-91.08	365.53	8.19	-82.89
COC1=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300002684789	0	51	0.0	-79.65	374.35	9.36	-70.29
COC1=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300002684789	1	51	0.0	-78.96	373.72	9.39	-69.57
COC1=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=CC=C1C(=O)[O-]	REAL300002684790	0	52	0.0	-81.33	381.49	7.67	-73.66
COC1=CC(NC(=O)CCCN2C=C[NH+]=C2C)=CC=C1C(=O)[O-]	REAL300002684821	1	42	0.0	-82.77	347.15	8.48	-74.29
COC1=CC(NC(=O)CCCC[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300002684822	1	48	0.0	-89.50	374.45	7.16	-82.34
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1)C(C)C	REAL300002684824	0	53	0.0	-91.40	397.39	10.45	-80.95
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1)C(C)C	REAL300002684824	1	53	0.0	-89.53	394.34	10.24	-79.29
COC1=CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002684849	0	48	0.0	-87.73	379.29	9.95	-77.78
COC1=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002684849	1	48	0.0	-88.44	381.28	10.07	-78.37
COC1=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=CC=C1C(=O)[O-]	REAL300002684850	0	49	0.0	-94.96	376.06	9.19	-85.77
COC1=CC(NC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300002684878	1	53	0.0	-81.61	409.33	8.85	-72.76
COC1=CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=CC=C1C(=O)[O-]	REAL300002684879	0	52	0.0	-89.94	369.45	7.23	-82.71
CCC(C(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1)[NH+](CC)CC	REAL300002684883	0	46	0.0	-78.30	340.78	7.96	-70.34
COC1=CC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002684885	0	47	0.0	-86.43	371.22	9.55	-76.88
COC1=CC(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002684885	1	47	0.0	-87.22	371.19	9.54	-77.68
COC1=CC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002684896	0	54	0.0	-90.25	419.68	11.61	-78.64
COC1=CC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002684896	1	54	0.0	-82.22	413.68	11.80	-70.42
COC1=CC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)=CC=C1C(=O)[O-]	REAL300002684922	0	43	0.0	-90.47	350.44	7.58	-82.89
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002684933	0	52	0.0	-86.70	394.39	9.50	-77.20
COC1=CC(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)=CC=C1C(=O)[O-]	REAL300002684934	1	52	0.0	-83.41	404.45	7.52	-75.89
CC[N@H+](C)C(C(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1)C1=CC=CC=C1	REAL300002684935	1	47	0.0	-80.63	368.63	9.70	-70.93
CC[N@@H+](C)C(C(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1)C1=CC=CC=C1	REAL300002684935	1	47	0.0	-81.57	369.41	9.65	-71.92
CC[NH+](CC)C(C(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1)C1=CC=CC=C1	REAL300002684940	0	50	0.0	-83.80	374.94	9.79	-74.01
COC1=CC(NC(=O)CN2C=C[NH+]=C2C(C)C)=CC=C1C(=O)[O-]	REAL300002684947	1	42	0.0	-80.38	341.90	8.30	-72.08
COC1=CC(NC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)=CC=C1C(=O)[O-]	REAL300002684951	1	44	0.0	-86.56	367.98	9.57	-76.99
COC1=CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=CC=C1C(=O)[O-]	REAL300002684964	0	48	0.0	-92.45	379.47	10.20	-82.25
COC1=CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=CC=C1C(=O)[O-]	REAL300002684971	0	51	0.0	-85.63	395.91	10.91	-74.72
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=C(C(=O)[O-])C(OC)=C3)CC2)CC1	REAL300002684977	0	59	0.0	-89.82	427.17	8.27	-81.55
COC1=CC(NC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)=CC=C1C(=O)[O-]	REAL300002684985	1	55	0.0	-95.80	429.53	9.93	-85.87
COC1=CC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300002684998	1	52	0.0	-97.40	404.06	9.98	-87.42
COC1=CC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300002684998	1	52	0.0	-97.43	404.15	9.98	-87.45
COC1=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002685014	0	51	0.0	-83.53	385.52	10.52	-73.01
COC1=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002685014	1	51	0.0	-84.04	385.70	10.54	-73.50
COC1=CC(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)=CC=C1C(=O)[O-]	REAL300002685016	1	42	0.0	-91.39	352.03	7.45	-83.94
COC1=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=CC=C1C(=O)[O-]	REAL300002685024	0	51	0.0	-92.67	396.21	10.91	-81.76
COC1=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=CC=C1C(=O)[O-]	REAL300002685037	1	44	0.0	-89.01	360.98	7.74	-81.27
COC1=CC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300002685038	0	47	0.0	-93.99	377.15	9.89	-84.10
COC1=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300002685051	1	49	0.0	-93.96	383.18	9.33	-84.63
COC1=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=CC=C1C(=O)[O-]	REAL300002685051	1	49	0.0	-93.24	383.54	9.33	-83.91
COC1=CC(NC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300002685063	0	57	0.0	-84.30	434.81	12.03	-72.27
COC1=CC(NC(=O)C[N@H+](C)CC(C)(C)C)=CC=C1C(=O)[O-]	REAL300002685115	0	46	0.0	-85.76	346.62	8.13	-77.63
COC1=CC(NC(=O)C[N@@H+](C)CC(C)(C)C)=CC=C1C(=O)[O-]	REAL300002685115	1	46	0.0	-86.04	344.84	7.98	-78.06
COC1=CC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002685117	0	47	0.0	-90.02	375.64	10.01	-80.01
COC1=CC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002685117	1	47	0.0	-90.07	375.64	10.00	-80.07
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002685118	0	51	0.0	-87.87	404.66	6.16	-81.71
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002685118	1	51	0.0	-89.04	404.39	6.19	-82.85
COC1=CC(NC(=O)CC2(O)CCC[N@H+](C)C2)=CC=C1C(=O)[O-]	REAL300002685122	0	45	0.0	-80.22	346.81	5.82	-74.40
COC1=CC(NC(=O)CC2(O)CCC[N@@H+](C)C2)=CC=C1C(=O)[O-]	REAL300002685122	1	45	0.0	-80.23	336.92	5.63	-74.60
COC1=CC(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300002685139	0	56	0.0	-91.92	430.50	9.71	-82.21
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002685143	0	49	0.0	-87.62	380.23	9.32	-78.30
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002685143	1	49	0.0	-87.64	379.93	9.33	-78.31
COC1=CC(NC(=O)C23CCC[NH+]2CCC3)=CC=C1C(=O)[O-]	REAL300002685153	0	42	0.0	-85.51	320.73	7.50	-78.01
COC1=CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=CC=C1C(=O)[O-]	REAL300002685161	1	36	0.0	-90.66	306.94	9.08	-81.58
COC1=CC(NC(=O)C[N@H+](C)C2CCSC2)=CC=C1C(=O)[O-]	REAL300002685179	1	42	0.0	-90.70	335.48	7.83	-82.87
COC1=CC(NC(=O)C[N@@H+](C)C2CCSC2)=CC=C1C(=O)[O-]	REAL300002685179	1	42	0.0	-91.51	335.99	7.81	-83.70
COC1=CC(NC(=O)CCN2CC[NH+](C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300002685194	0	52	0.0	-84.86	391.85	6.74	-78.12
COC1=CC(NC(=O)CC[NH+]2CCN(C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300002685194	1	52	0.0	-88.44	387.87	6.54	-81.90
COC1=CC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300002685195	0	55	0.0	-82.50	413.03	7.55	-74.95
COC1=CC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300002685195	1	55	0.0	-87.57	409.37	7.34	-80.23
COC1=CC(NC(=O)C2CCCC3CCC[N@@H+]32)=CC=C1C(=O)[O-]	REAL300002685196	0	45	0.0	-82.06	332.84	8.10	-73.96
COC1=CC(NC(=O)C2CCCC3CCC[N@H+]32)=CC=C1C(=O)[O-]	REAL300002685196	1	45	0.0	-81.72	332.59	8.11	-73.61
COC1=CC(NC(=O)C2=CN(CC[NH+](C)C)N=C2)=CC=C1C(=O)[O-]	REAL300002685198	0	44	0.0	-91.92	360.82	7.07	-84.85
COC1=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC(C)=C3)CC2)=CC=C1C(=O)[O-]	REAL300002685206	0	56	0.0	-92.73	430.39	9.57	-83.16
COC1=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300002685208	0	53	0.0	-92.70	408.98	8.91	-83.79
COC1=CC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=CC=C1C(=O)[O-]	REAL300002685211	0	50	0.0	-89.41	386.10	9.17	-80.24
COC1=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=CC=C1C(=O)[O-]	REAL300002685211	1	50	0.0	-89.67	386.17	9.19	-80.48
COC1=CC(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)=CC=C1C(=O)[O-]	REAL300002685216	1	48	0.0	-85.27	372.20	10.06	-75.21
COC1=CC(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)=CC=C1C(=O)[O-]	REAL300002685216	1	48	0.0	-86.37	371.73	10.11	-76.26
COC1=CC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002685241	0	51	0.0	-91.72	401.35	10.78	-80.94
COC1=CC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002685241	1	51	0.0	-91.33	400.70	10.79	-80.54
COC1=CC(NC(=O)C2=NN(CC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300002685257	0	44	0.0	-96.27	361.19	7.07	-89.20
COC1=CC(NC(=O)C2=CC=NN2CC[NH+](C)C)=CC=C1C(=O)[O-]	REAL300002685258	0	44	0.0	-92.58	340.76	7.17	-85.41
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002685264	1	45	0.0	-80.18	362.17	8.79	-71.39
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)CC[N@@H+]1C	REAL300002685267	0	44	0.0	-86.95	333.70	7.22	-79.73
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)CC[N@H+]1C	REAL300002685267	1	44	0.0	-86.25	342.26	7.81	-78.44
COC1=CC(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)=CC=C1C(=O)[O-]	REAL300002685270	1	45	0.0	-90.29	362.74	6.62	-83.67
COC1=CC(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)=CC=C1C(=O)[O-]	REAL300002685270	1	45	0.0	-90.26	361.99	6.64	-83.62
COC1=CC(NC(=O)C2C[N@H+](C)CC(C)O2)=CC=C1C(=O)[O-]	REAL300002685279	1	42	0.0	-98.43	327.53	6.23	-92.20
COC1=CC(NC(=O)C2C[N@@H+](C)CC(C)O2)=CC=C1C(=O)[O-]	REAL300002685279	1	42	0.0	-95.55	327.80	6.64	-88.91
COC1=CC(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)=CC=C1C(=O)[O-]	REAL300002685285	0	51	0.0	-89.79	403.99	10.82	-78.97
COC1=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)=CC=C1C(=O)[O-]	REAL300002685285	1	51	0.0	-84.97	397.55	11.00	-73.97
COC1=CC(NC(=O)C(C)C[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300002685291	0	45	0.0	-87.65	348.08	6.28	-81.37
COC1=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)=CC=C1C(=O)[O-]	REAL300002685292	0	52	0.0	-92.75	406.74	8.32	-84.43
COC1=CC(NC(=O)C[NH+]2CCC(C)CC2)=CC=C1C(=O)[O-]	REAL300002685302	0	44	0.0	-86.85	339.42	8.05	-78.80
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C1	REAL300002685317	1	42	0.0	-94.49	331.06	6.58	-87.91
CC[N@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C1	REAL300002685317	1	42	0.0	-88.28	324.26	6.39	-81.89
COC1=CC(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)=CC=C1C(=O)[O-]	REAL300002685356	1	51	0.0	-93.02	398.09	9.11	-83.91
COC1=CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=CC=C1C(=O)[O-]	REAL300002685357	0	51	0.0	-86.08	380.92	9.45	-76.63
COC1=CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)=CC=C1C(=O)[O-]	REAL300002685357	1	51	0.0	-85.26	381.81	9.48	-75.78
COC1=CC(NC(=O)CCC2CCC[N@@H+]2C)=CC=C1C(=O)[O-]	REAL300002685365	0	44	0.0	-84.44	338.46	7.58	-76.86
COC1=CC(NC(=O)CCC2CCC[N@H+]2C)=CC=C1C(=O)[O-]	REAL300002685365	1	44	0.0	-89.17	340.09	7.90	-81.27
COC1=CC(NC(=O)C23CCC[NH+](CCC2)C3)=CC=C1C(=O)[O-]	REAL300002685378	0	45	0.0	-85.19	333.66	7.74	-77.45
COC1=CC(NC(=O)C2(C)CC(O)C[N@@H+]2C)=CC=C1C(=O)[O-]	REAL300002685382	1	42	0.0	-92.41	323.11	3.52	-88.89
COC1=CC(NC(=O)C2(C)CC(O)C[N@H+]2C)=CC=C1C(=O)[O-]	REAL300002685382	1	42	0.0	-89.26	324.42	3.68	-85.58
COC1=CC(NC(=O)C2CCC3CCCC[N@@H+]32)=CC=C1C(=O)[O-]	REAL300002685383	0	45	0.0	-81.74	338.01	8.07	-73.67
COC1=CC(NC(=O)C2CCC3CCCC[N@H+]32)=CC=C1C(=O)[O-]	REAL300002685383	1	45	0.0	-79.10	344.32	8.50	-70.60
COC1=CC(NC(=O)C(C)(C)C[NH+]2CCOCC2)=CC=C1C(=O)[O-]	REAL300002685391	0	48	0.0	-83.80	356.95	6.60	-77.20
COC1=CC(NC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300002685396	0	51	0.0	-90.47	389.91	8.02	-82.45
COC1=CC(NC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300002685396	1	51	0.0	-97.96	392.37	7.94	-90.02
COC1=CC(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)=CC=C1C(=O)[O-]	REAL300002685401	0	53	0.0	-83.09	413.28	8.47	-74.62
COC1=CC(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300002685402	0	53	0.0	-88.70	413.27	8.48	-80.22
COC1=CC(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300002685402	1	53	0.0	-93.68	412.74	8.35	-85.33
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300002685403	0	54	0.0	-90.82	419.64	10.20	-80.62
COC1=CC(NC(=O)C2CC[NH+](C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300002685411	0	47	0.0	-87.91	355.17	8.40	-79.51
COC1=CC(NC(=O)C23CC[N@H+](C2)CCC3)=CC=C1C(=O)[O-]	REAL300002685498	0	42	0.0	-86.46	318.44	6.77	-79.69
COC1=CC(NC(=O)C23CC[N@@H+](C2)CCC3)=CC=C1C(=O)[O-]	REAL300002685498	1	42	0.0	-86.12	317.82	6.78	-79.34
COC1=CC(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300002685550	0	55	0.0	-95.30	427.89	8.21	-87.09
COC1=CC(NC(=O)C[NH+]2C(C)CCC2C)=CC=C1C(=O)[O-]	REAL300002685557	0	44	0.0	-81.65	333.82	7.44	-74.21
COC1=CC(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)=CC=C1C(=O)[O-]	REAL300002685558	0	44	0.0	-86.85	354.66	9.04	-77.81
COC1=CC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002685559	0	51	0.0	-83.43	391.21	10.93	-72.50
COC1=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002685559	1	51	0.0	-83.39	391.13	10.93	-72.46
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)CC1	REAL300002685629	0	43	0.0	-90.97	345.53	8.36	-82.61
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002685631	0	47	0.0	-80.58	357.08	8.59	-71.99
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300002685631	1	47	0.0	-82.54	348.14	8.35	-74.19
COC1=CC(NC(=O)C2=CC=CC=C2C[NH+](C)C)=CC=C1C(=O)[O-]	REAL300002685632	0	44	0.0	-71.56	347.07	9.28	-62.28
CC[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)CC1	REAL300002685634	0	49	0.0	-86.24	374.61	6.18	-80.06
CCN1CC[NH+](CCC(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)CC1	REAL300002685634	1	49	0.0	-88.30	374.79	6.22	-82.08
COC1=CC(NC(=O)C(C(C)C)[NH+]2CCCCC2)=CC=C1C(=O)[O-]	REAL300002685636	0	50	0.0	-82.04	368.57	9.42	-72.62
COC1=CC(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)=CC=C1C(=O)[O-]	REAL300002685637	1	44	0.0	-82.23	351.23	9.05	-73.18
COC1=CC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002685641	0	49	0.0	-84.32	389.99	7.04	-77.28
COC1=CC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300002685641	1	49	0.0	-84.43	389.34	6.98	-77.45
COC1=CC(NC(=O)CCN2C=C[NH+]=C2C(C)C)=CC=C1C(=O)[O-]	REAL300002685647	1	45	0.0	-79.65	361.60	8.71	-70.94
COC1=CC(NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)=CC=C1C(=O)[O-]	REAL300002685648	0	47	0.0	-75.28	375.75	9.39	-65.89
COC1=CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300002685654	0	48	0.0	-82.04	359.39	9.10	-72.94
COC1=CC(NC(=O)C2CCC[N@H+]2C2CCCC2)=CC=C1C(=O)[O-]	REAL300002685654	1	48	0.0	-86.03	354.91	8.86	-77.17
COC1=CC(NC(=O)C(C)[NH+]2CCCCCC2)=CC=C1C(=O)[O-]	REAL300002685685	0	47	0.0	-81.10	346.43	7.99	-73.11
COC1=CC(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)=CC=C1C(=O)[O-]	REAL300002685724	1	49	0.0	-90.18	389.47	9.48	-80.70
COC1=CC(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)=CC=C1C(=O)[O-]	REAL300002685724	1	49	0.0	-90.15	389.35	9.47	-80.68
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)O1	REAL300002685782	0	47	0.0	-88.58	375.87	8.74	-79.84
COC1=CC(NC(=O)CCCC[NH+]2CCCC2)=CC=C1C(=O)[O-]	REAL300002685783	0	47	0.0	-86.07	367.51	8.89	-77.18
COC1=CC(NC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)=CC=C1C(=O)[O-]	REAL300002685785	1	50	0.0	-84.01	390.05	8.64	-75.37
COC1=CC(NC(=O)C[N@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002685786	1	44	0.0	-91.40	352.91	9.17	-82.23
COC1=CC(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300002685786	1	44	0.0	-91.37	352.86	9.17	-82.20
COC1=CC(NC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300002685790	0	56	0.0	-90.92	422.67	9.42	-81.50
COC1=CC(NC(=O)C2=NOC(C[NH+](C)C)=C2)=CC=C1C(=O)[O-]	REAL300002685841	1	40	0.0	-90.32	335.62	6.59	-83.73
COC1=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)=CC=C1C(=O)[O-]	REAL300002685845	0	51	0.0	-88.47	398.17	10.54	-77.93
COC1=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)=CC=C1C(=O)[O-]	REAL300002685845	1	51	0.0	-93.44	400.92	10.54	-82.90
COC1=CC(NC(=O)C2CCC[N@@H+]2C(C)C)=CC=C1C(=O)[O-]	REAL300002685864	0	44	0.0	-83.21	328.41	7.56	-75.65
COC1=CC(NC(=O)C2CCC[N@H+]2C(C)C)=CC=C1C(=O)[O-]	REAL300002685864	1	44	0.0	-79.57	338.54	7.75	-71.82
COC1=CC(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300002685871	0	52	0.0	-91.32	418.62	10.05	-81.27
COC1=CC(NC(=O)COC2CC[NH+](C)CC2)=CC=C1C(=O)[O-]	REAL300002685892	0	45	0.0	-91.27	356.46	7.58	-83.69
COC1=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=CC=C1C(=O)[O-]	REAL300002685898	0	48	0.0	-90.20	381.57	9.16	-81.04
COC1=CC(NC(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300002685943	0	50	0.0	-89.31	390.56	8.75	-80.56
COC1=CC(NC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300002685943	1	50	0.0	-84.42	389.23	8.84	-75.58
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C1	REAL300002686095	0	47	0.0	-78.71	353.89	8.80	-69.91
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C1	REAL300002686095	1	47	0.0	-85.10	360.16	8.58	-76.52
COC1=CC(NC(=O)C2CCC[N@@H+]2CC(C)C)=CC=C1C(=O)[O-]	REAL300002686128	0	47	0.0	-81.93	360.86	8.77	-73.16
COC1=CC(NC(=O)C2CCC[N@H+]2CC(C)C)=CC=C1C(=O)[O-]	REAL300002686128	1	47	0.0	-84.91	349.88	8.60	-76.31
COC1=CC(NC(=O)C[NH+]2CCC(CO)CC2)=CC=C1C(=O)[O-]	REAL300002686129	1	45	0.0	-87.80	350.25	4.74	-83.06
COC1=CC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=CC=C1C(=O)[O-]	REAL300002686231	0	52	0.0	-92.75	405.18	11.01	-81.74
COC1=CC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=CC=C1C(=O)[O-]	REAL300002686231	1	52	0.0	-92.89	406.08	11.08	-81.81
COC1=CC(NC(=O)C2CCC[N@@H+](C(C)C)C2)=CC=C1C(=O)[O-]	REAL300002686371	0	47	0.0	-77.93	349.03	8.57	-69.36
COC1=CC(NC(=O)C2CCC[N@H+](C(C)C)C2)=CC=C1C(=O)[O-]	REAL300002686371	1	47	0.0	-77.99	348.92	8.54	-69.45
COC1=CC(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300002686372	0	41	0.0	-90.85	332.94	7.20	-83.65
COC1=CC(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)=CC=C1C(=O)[O-]	REAL300002686372	1	41	0.0	-93.79	340.44	7.30	-86.49
COC1=CC(NC(=O)CCC2=[NH+]C(C)=C(C)N2)=CC=C1C(=O)[O-]	REAL300002686396	1	42	0.0	-80.98	346.42	6.86	-74.12
COC1=CC(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)=CC=C1C(=O)[O-]	REAL300002686905	0	47	0.0	-87.36	377.15	9.88	-77.48
COC1=CC(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)=CC=C1C(=O)[O-]	REAL300002686913	0	48	0.0	-92.06	384.38	8.85	-83.21
COC1=CC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1C(=O)[O-]	REAL300002687014	0	54	0.0	-84.00	415.91	11.52	-72.48
COC1=CC(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)=CC=C1C(=O)[O-]	REAL300002687016	1	52	0.0	-95.15	402.01	9.22	-85.93
COC1=CC(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)=CC=C1C(=O)[O-]	REAL300002687016	1	52	0.0	-94.94	402.09	9.22	-85.72
COC1=CC(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=CC=C1C(=O)[O-]	REAL300002687063	0	47	0.0	-79.55	348.73	8.26	-71.29
COC1=CC(NC(=O)C2CCC[N@H+](CC(C)C)C2)=CC=C1C(=O)[O-]	REAL300002687132	0	50	0.0	-84.36	377.65	9.28	-75.08
COC1=CC(NC(=O)C2CCC[N@@H+](CC(C)C)C2)=CC=C1C(=O)[O-]	REAL300002687132	1	50	0.0	-84.36	377.65	9.28	-75.08
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C1	REAL300002687133	0	44	0.0	-78.35	332.40	8.06	-70.29
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C(OC)=C2)C1	REAL300002687133	1	44	0.0	-78.35	332.40	8.06	-70.29
COC1=CC(NC(=O)C2=CC=C(CN(C)C)O2)=CC=C1C(=O)[O-]	REAL300002687139	0	41	0.0	-91.74	341.02	7.38	-84.36
COC1=CC(NC(=O)C2=CC=C(C[NH+](C)C)O2)=CC=C1C(=O)[O-]	REAL300002687139	1	41	0.0	-91.74	341.02	7.38	-84.36
COC1=CC(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)=CC=C1C(=O)[O-]	REAL300002687145	0	50	0.0	-87.48	366.20	8.67	-78.81
COC1=CC(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)=CC=C1C(=O)[O-]	REAL300002687145	1	50	0.0	-87.48	366.20	8.67	-78.81
COC1=CC(NC(=O)C23CC(C2)CN3C2CC2)=CC=C1C(=O)[O-]	REAL300002687148	0	43	0.0	-82.41	334.87	8.26	-74.15
COC1=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=CC=C1C(=O)[O-]	REAL300002687148	1	43	0.0	-85.94	333.07	8.56	-77.38
COC1=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=CC=C1C(=O)[O-]	REAL300002687148	1	43	0.0	-85.94	333.07	8.56	-77.38
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300002689012	0	47	0.0	-52.94	376.13	11.53	-41.41
CC1=[NH+]C=C2CCC(C(=O)N(CC(=O)[O-])CC3=CC=C(Cl)C=C3)CN12	REAL300002689036	1	45	0.0	-46.71	374.55	11.35	-35.36
CC(C(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)N1CC[NH+](C)CC1	REAL300002689099	1	48	0.0	-52.91	382.45	8.70	-44.21
C[N@@H+]1CCCC[C@H]1C(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300002689129	0	43	0.0	-37.97	348.24	10.38	-27.59
C[N@H+]1CCCC[C@H]1C(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300002689129	1	43	0.0	-45.75	341.81	10.04	-35.71
C[NH+]1CCC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300002689190	0	43	0.0	-56.83	345.83	10.14	-46.69
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002689217	0	38	0.0	-59.47	344.82	12.24	-47.23
C[NH+](C)CC1(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CCCCC1	REAL300002689245	0	52	0.0	-42.37	371.75	11.16	-31.21
C[N@H+](CCC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C1CCCCC1	REAL300002689249	0	52	0.0	-47.82	408.77	12.56	-35.26
C[N@@H+](CCC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1)C1CCCCC1	REAL300002689249	1	52	0.0	-46.63	408.75	12.55	-34.08
C[N@@H+]1CCCC1C(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300002689262	0	40	0.0	-43.58	326.48	9.63	-33.95
C[N@H+]1CCCC1C(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300002689262	1	40	0.0	-40.71	333.47	9.71	-31.00
C[NH+]1CCC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300002689307	0	43	0.0	-56.83	345.83	10.14	-46.69
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002689310	0	46	0.0	-64.51	388.14	10.79	-53.72
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002689321	0	54	0.0	-59.10	404.99	10.54	-48.56
CC1=[NH+]C=CN1CCCC(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300002689351	1	44	0.0	-50.98	375.26	11.58	-39.40
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)CCCC[NH+]1CCOCC1	REAL300002689352	1	50	0.0	-58.26	408.59	10.53	-47.73
C[N@@H+]1CCC[C@@H]1C(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300002689356	0	40	0.0	-43.86	328.10	9.37	-34.49
C[N@H+]1CCC[C@@H]1C(=O)N(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300002689356	1	40	0.0	-42.34	332.53	9.77	-32.57
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CCC[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300002690255	0	49	0.0	-46.45	383.26	11.95	-34.50
CCC[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300002690255	1	49	0.0	-53.94	393.36	11.82	-42.12
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C[NH+]1CCC(CO)CC1	REAL300002690277	0	47	0.0	-41.96	383.85	8.08	-33.88
CC(C)[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300002690441	0	49	0.0	-45.95	385.69	11.46	-34.49
CC(C)[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300002690441	1	49	0.0	-44.86	379.00	11.67	-33.19
C[N@@H+]1CC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C(C(F)(F)F)C1	REAL300002690442	0	43	0.0	-63.57	358.19	10.29	-53.28
C[N@H+]1CC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C(C(F)(F)F)C1	REAL300002690442	1	43	0.0	-42.08	361.16	10.17	-31.91
CC1=C(C)[NH+]=C(CCC(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)N1	REAL300002690463	1	44	0.0	-44.66	380.59	10.23	-34.43
C[NH+](C)CCC1=CC=CC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)=C1	REAL300002690833	0	49	0.0	-70.33	404.39	12.77	-57.56
C[NH+](C)CCOC1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C=C1	REAL300002690839	0	50	0.0	-65.48	407.40	11.47	-54.01
C[NH+](C)[C@H]1C[C@H](C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300002690953	0	43	0.0	-56.96	358.56	10.62	-46.34
C[NH+](C)[C@H]1CC[C@@H](C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)CC1	REAL300002690957	0	49	0.0	-59.25	373.73	11.19	-48.06
CC1=[NH+]C=C2C=CC(C(=O)N(CC(=O)[O-])CC3=CC=C(Cl)C=C3)=CN12	REAL300002690961	0	41	0.0	-54.58	366.22	12.02	-42.56
CC(C)C[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300002691010	0	52	0.0	-51.34	402.91	12.54	-38.80
CC(C)C[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300002691010	1	52	0.0	-45.32	401.31	12.58	-32.74
CC[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300002691011	0	46	0.0	-51.73	363.76	11.10	-40.63
CC[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300002691011	1	46	0.0	-45.96	357.59	10.99	-34.97
C[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300002691016	0	43	0.0	-53.27	350.58	10.34	-42.93
C[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300002691016	1	43	0.0	-46.73	344.71	10.51	-36.22
C[NH+](C)CC1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(Cl)C=C2)O1	REAL300002691018	1	43	0.0	-52.94	370.05	10.69	-42.25
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002691026	0	45	0.0	-31.39	352.92	10.75	-20.64
O=C([O-])CN(CC1=CC=C(Cl)C=C1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300002691026	1	45	0.0	-31.98	346.36	10.59	-21.39
O=C([O-])C1CCCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002692286	0	50	0.0	-83.26	373.03	10.77	-72.49
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300002693060	0	47	0.0	-71.36	353.91	10.15	-61.21
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300002693060	1	47	0.0	-67.17	349.15	9.71	-57.46
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300002693768	1	47	0.0	-69.57	366.22	10.28	-59.29
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300002693768	1	47	0.0	-72.74	369.51	10.67	-62.07
O=C([O-])C1CCCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300002693839	0	50	0.0	-69.95	370.08	10.44	-59.51
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC(C(=O)[O-])C3)CC2)=CS1	REAL300002693900	1	49	0.0	-79.08	380.00	8.83	-70.25
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002693957	0	53	0.0	-80.76	406.22	10.43	-70.33
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300002693970	0	53	0.0	-82.80	405.92	12.36	-70.44
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300002693970	1	53	0.0	-81.77	405.63	12.36	-69.41
CC1(C(=O)N2CCCC(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002693971	0	53	0.0	-69.71	376.81	10.69	-59.02
O=C([O-])C1CCCN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002694009	0	50	0.0	-74.40	379.64	10.35	-64.05
O=C([O-])C1CCCN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002694009	1	50	0.0	-70.28	378.53	10.34	-59.94
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300002694063	1	50	0.0	-71.83	376.55	10.88	-60.95
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300002694063	1	50	0.0	-71.32	376.32	10.85	-60.47
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300002694064	1	47	0.0	-70.42	355.90	9.83	-60.59
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300002694064	1	47	0.0	-73.77	359.18	10.22	-63.55
O=C([O-])C1CCCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300002694112	0	43	0.0	-79.38	342.34	7.98	-71.40
C[NH+](C)CCN1N=CC(C(=O)N2CCCC(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300002694117	0	53	0.0	-80.93	410.17	10.26	-70.67
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300002694141	0	50	0.0	-65.10	348.42	9.40	-55.70
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300002694141	1	50	0.0	-64.72	347.81	9.38	-55.34
O=C([O-])C1CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300002694142	0	51	0.0	-82.75	363.33	7.77	-74.98
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1)C(C)C	REAL300002694164	0	52	0.0	-80.43	375.83	10.29	-70.14
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1)C(C)C	REAL300002694164	1	52	0.0	-80.60	369.96	10.01	-70.59
O=C([O-])C1CCCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002694185	0	47	0.0	-76.92	354.24	10.03	-66.89
O=C([O-])C1CCCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002694185	1	47	0.0	-75.51	353.60	9.96	-65.55
O=C([O-])C1CCCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300002694186	0	48	0.0	-83.29	351.94	9.21	-74.08
C[NH+]1CCN(C(C(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300002694207	1	52	0.0	-71.54	376.92	7.90	-63.64
O=C([O-])C1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300002694208	0	51	0.0	-75.60	348.92	7.55	-68.05
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300002694211	0	46	0.0	-71.46	345.34	9.57	-61.89
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002694211	1	46	0.0	-71.45	345.59	9.61	-61.84
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300002694218	0	53	0.0	-79.76	396.11	11.62	-68.14
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300002694218	1	53	0.0	-58.68	395.88	11.64	-47.04
O=C([O-])C1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300002694255	1	51	0.0	-66.05	369.32	6.87	-59.18
CC[N@H+](C)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002694256	0	46	0.0	-64.97	341.11	9.52	-55.45
CC[N@@H+](C)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002694256	1	46	0.0	-64.23	338.08	9.48	-54.75
CC[NH+](CC)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002694261	0	49	0.0	-66.36	350.84	9.84	-56.52
C[NH+](C)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300002694264	1	43	0.0	-68.98	337.38	9.35	-59.63
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300002694278	0	47	0.0	-85.18	355.49	9.98	-75.20
O=C([O-])C1CCCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300002694284	0	50	0.0	-77.65	370.78	10.63	-67.02
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(C(=O)[O-])C3)CC2)CC1	REAL300002694290	0	58	0.0	-79.87	406.79	8.48	-71.39
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300002694296	1	54	0.0	-87.09	405.58	9.71	-77.38
O=C([O-])C1CCCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002694307	1	51	0.0	-84.87	387.37	10.25	-74.62
O=C([O-])C1CCCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002694307	1	51	0.0	-87.68	380.42	10.19	-77.49
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300002694322	0	50	0.0	-67.95	370.37	10.82	-57.13
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300002694322	1	50	0.0	-70.27	362.12	10.46	-59.81
CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300002694324	1	41	0.0	-71.03	324.46	7.16	-63.87
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300002694332	0	50	0.0	-85.42	372.23	10.69	-74.73
O=C([O-])C1CCCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300002694343	1	43	0.0	-80.10	334.31	8.13	-71.97
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002694344	0	46	0.0	-87.08	353.16	9.68	-77.40
O=C([O-])C1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002694351	1	48	0.0	-77.88	355.21	9.27	-68.61
O=C([O-])C1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002694351	1	48	0.0	-78.33	355.80	9.31	-69.02
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002694355	0	57	0.0	-67.70	418.93	11.22	-56.48
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002694355	1	57	0.0	-65.09	411.64	10.96	-54.13
CC(C(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002694363	0	56	0.0	-73.37	402.82	11.85	-61.52
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002694395	0	46	0.0	-74.47	351.29	10.06	-64.41
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C(=O)[O-])C1	REAL300002694395	1	46	0.0	-74.49	351.28	10.07	-64.42
COCCOCC[N@H+](C)CCC(=O)N1CCCC(C(=O)[O-])C1	REAL300002694396	0	50	0.0	-75.88	380.97	6.34	-69.54
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(C(=O)[O-])C1	REAL300002694396	1	50	0.0	-77.35	381.05	6.34	-71.01
O=C([O-])C1CCCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300002694405	0	55	0.0	-81.54	407.17	9.85	-71.69
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300002694406	1	49	0.0	-74.33	356.75	8.69	-65.64
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300002694406	1	49	0.0	-74.46	357.39	8.72	-65.74
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300002694407	1	49	0.0	-68.67	364.82	8.96	-59.71
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300002694407	1	49	0.0	-72.28	357.08	8.69	-63.59
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002694434	0	51	0.0	-75.37	367.50	6.85	-68.52
CC(C)N1CC[NH+](CCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002694434	1	51	0.0	-76.20	364.71	6.69	-69.51
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002694435	0	54	0.0	-73.79	389.69	7.70	-66.09
CC(C)N1CC[NH+](CCCC(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300002694435	1	54	0.0	-77.24	386.53	7.52	-69.72
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300002694440	0	55	0.0	-80.33	406.56	9.68	-70.65
O=C([O-])C1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300002694441	0	52	0.0	-80.46	385.67	9.06	-71.40
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300002694445	0	49	0.0	-60.69	366.78	8.92	-51.77
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300002694445	1	49	0.0	-59.40	368.20	8.92	-50.48
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002694449	0	47	0.0	-71.08	347.10	9.95	-61.13
CC(C(=O)N1CCCC(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002694449	1	47	0.0	-71.53	346.99	9.97	-61.56
CCC(CC)C(C(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300002694461	1	53	0.0	-64.54	356.91	7.85	-56.69
O=C([O-])C1CCCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002694475	0	50	0.0	-81.72	378.16	10.96	-70.76
O=C([O-])C1CCCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002694475	1	50	0.0	-81.08	377.65	10.94	-70.14
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=NN1	REAL300002694490	1	44	0.0	-82.13	335.02	7.01	-75.12
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(C(=O)[O-])C2)=NN1	REAL300002694490	1	44	0.0	-79.53	328.42	6.45	-73.08
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300002694500	0	50	0.0	-78.14	379.59	10.80	-67.34
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300002694500	1	50	0.0	-59.20	379.73	10.84	-48.36
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300002694501	1	46	0.0	-66.61	346.16	8.17	-58.44
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300002694501	1	46	0.0	-66.14	345.22	7.93	-58.21
O=C([O-])C1CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300002694503	0	51	0.0	-80.40	382.89	8.43	-71.97
O=C([O-])C1CCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300002694534	0	50	0.0	-75.18	355.37	9.43	-65.75
O=C([O-])C1CCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300002694534	1	50	0.0	-75.91	353.64	9.37	-66.54
O=C([O-])C1CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300002694549	0	55	0.0	-77.26	401.43	9.57	-67.69
O=C([O-])C1CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300002694549	1	55	0.0	-82.34	401.87	9.48	-72.86
CC(C)[N@@H+]1CCC(C(=O)N2CCCC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300002694555	0	56	0.0	-83.90	413.27	9.63	-74.27
CC(C)[N@H+]1CCC(C(=O)N2CCCC(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300002694555	1	56	0.0	-77.61	397.79	9.36	-68.25
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300002694556	0	50	0.0	-87.61	379.48	8.44	-79.17
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300002694556	1	50	0.0	-81.95	363.99	8.14	-73.81
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(C(=O)[O-])C3)=C2)CC1	REAL300002694561	0	52	0.0	-79.78	389.38	8.25	-71.53
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300002694562	0	52	0.0	-81.44	388.52	8.24	-73.20
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300002694562	1	52	0.0	-86.46	388.76	8.13	-78.33
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002694563	0	53	0.0	-83.27	393.94	9.92	-73.35
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300002694635	0	54	0.0	-88.20	403.90	7.99	-80.21
O=C([O-])C1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002694637	0	50	0.0	-79.25	373.71	10.79	-68.46
O=C([O-])C1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002694637	1	50	0.0	-54.90	364.17	10.81	-44.09
O=C([O-])C1CCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002694691	0	48	0.0	-54.39	361.07	7.09	-47.30
O=C([O-])C1CCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002694691	1	48	0.0	-71.49	359.42	7.12	-64.37
C[NH+](C)CC1=C(C(=O)N2CCCC(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300002694695	0	46	0.0	-62.36	355.14	9.44	-52.92
CC[NH+](CC)C(C(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300002694697	0	52	0.0	-68.48	388.65	10.97	-57.51
O=C([O-])C1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300002694721	1	48	0.0	-64.27	361.92	10.44	-53.83
CC(C)C(C(=O)N1CCCC(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300002694722	1	53	0.0	-68.37	360.91	7.72	-60.65
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C(=O)[O-])C3)=CC=C1N2	REAL300002694744	1	48	0.0	-81.30	365.84	9.22	-72.08
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C(=O)[O-])C3)=CC=C1N2	REAL300002694744	1	48	0.0	-71.80	362.85	9.14	-62.66
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)O1	REAL300002694794	0	46	0.0	-52.94	349.35	8.77	-44.17
CC1=CC=C(N2CCC(C(=O)N3CCCC(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300002694796	1	49	0.0	-54.01	366.24	8.66	-45.35
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CC1	REAL300002694799	0	55	0.0	-82.77	398.74	9.20	-73.57
O=C([O-])C1CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300002694808	1	38	0.0	-79.91	310.05	6.79	-73.12
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002694839	0	50	0.0	-75.92	369.05	10.71	-65.21
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C(=O)[O-])C1	REAL300002694839	1	50	0.0	-75.05	372.04	10.73	-64.32
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002694855	0	51	0.0	-83.15	393.46	10.14	-73.01
O=C([O-])C1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300002694871	0	47	0.0	-54.60	354.64	9.18	-45.42
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002694897	0	49	0.0	-77.65	362.82	8.67	-68.98
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002694897	1	49	0.0	-71.67	361.73	8.63	-63.04
O=C([O-])C1CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300002695090	0	51	0.0	-79.16	376.37	10.81	-68.35
O=C([O-])C1CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300002695090	1	51	0.0	-84.62	379.23	10.83	-73.79
O=C([O-])C1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300002695118	1	50	0.0	-73.65	376.33	10.88	-62.77
O=C([O-])C1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300002695118	1	50	0.0	-71.02	368.79	10.52	-60.50
C[N@@H+]1CC(C(=O)N2CCCC(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300002695181	0	40	0.0	-82.23	312.26	7.19	-75.04
C[N@H+]1CC(C(=O)N2CCCC(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300002695181	1	40	0.0	-85.92	301.42	7.37	-78.55
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300002695538	0	46	0.0	-79.75	351.62	9.61	-70.14
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300002695542	0	47	0.0	-84.51	358.76	8.58	-75.93
O=C([O-])C1CCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002695607	0	53	0.0	-73.66	392.63	11.67	-61.99
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CCO1	REAL300002695609	1	51	0.0	-86.01	378.12	9.01	-77.00
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(C(=O)[O-])C3)C=C2)CCO1	REAL300002695609	1	51	0.0	-87.89	378.58	9.02	-78.87
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002696649	0	53	0.0	-57.64	420.39	13.57	-44.07
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300002697900	0	47	0.0	-53.13	365.81	11.08	-42.05
CC1=[NH+]C=C2CCC(C(=O)N(CC(=O)[O-])CC3=CC=C(F)C=C3)CN12	REAL300002697926	1	45	0.0	-46.95	364.23	10.89	-36.06
CC(C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)N1CC[NH+](C)CC1	REAL300002697993	1	48	0.0	-53.13	372.12	8.25	-44.88
C[N@@H+]1CCCC[C@H]1C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002698027	0	43	0.0	-38.36	337.91	9.93	-28.43
C[N@H+]1CCCC[C@H]1C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002698027	1	43	0.0	-46.17	331.49	9.59	-36.58
C[NH+]1CCC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300002698099	0	43	0.0	-57.52	335.51	9.68	-47.84
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002698124	0	38	0.0	-59.70	334.50	11.79	-47.91
C[NH+](C)CC1(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CCCCC1	REAL300002698152	0	52	0.0	-42.97	361.42	10.71	-32.26
C[N@H+](CCC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1CCCCC1	REAL300002698156	0	52	0.0	-48.09	398.45	12.10	-35.99
C[N@@H+](CCC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1CCCCC1	REAL300002698156	1	52	0.0	-46.97	398.43	12.09	-34.88
C[NH+]1CCC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300002698214	0	43	0.0	-57.52	335.51	9.68	-47.84
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002698217	0	46	0.0	-64.89	377.82	10.34	-54.55
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002698232	0	54	0.0	-59.91	394.67	10.07	-49.84
CC1=[NH+]C=CN1CCCC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002698261	1	44	0.0	-51.50	364.93	11.13	-40.37
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)CCCC[NH+]1CCOCC1	REAL300002698262	1	50	0.0	-58.44	398.27	10.08	-48.36
CC[N@H+](CC1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1)C(C)C	REAL300002698264	0	55	0.0	-58.94	415.44	12.83	-46.11
CC[N@@H+](CC1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1)C(C)C	REAL300002698264	1	55	0.0	-59.63	408.22	12.61	-47.02
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002698301	0	50	0.0	-47.44	387.65	12.34	-35.10
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002698301	1	50	0.0	-50.92	404.27	12.89	-38.03
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002698302	0	51	0.0	-59.40	394.62	11.88	-47.52
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002698328	0	54	0.0	-47.28	395.99	10.40	-36.88
CCC(C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)[NH+](CC)CC	REAL300002698332	0	48	0.0	-39.70	356.11	10.33	-29.37
CC(C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002698334	0	49	0.0	-44.55	381.80	12.00	-32.55
CC(C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002698334	1	49	0.0	-40.34	393.19	12.39	-27.95
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002698343	0	56	0.0	-58.25	442.92	14.40	-43.85
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002698343	1	56	0.0	-50.04	432.83	14.54	-35.50
C[NH+](C)CC1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=N1	REAL300002698356	0	45	0.0	-64.46	368.93	9.98	-54.48
CCC[NH+](CCC)CCCC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002698362	0	54	0.0	-52.54	422.57	12.71	-39.83
C[N@@H+]1CCOC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002698364	1	41	0.0	-32.64	321.31	8.41	-24.23
C[N@H+]1CCOC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002698364	1	41	0.0	-43.05	329.08	8.61	-34.44
CC(C)C1=[NH+]C=CN1CC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002698372	1	44	0.0	-43.00	359.65	10.92	-32.08
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002698387	0	50	0.0	-62.18	392.12	12.38	-49.80
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002698393	0	53	0.0	-67.41	416.69	13.45	-53.96
C[NH+](C)CC1(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300002698398	0	43	0.0	-53.42	341.87	9.83	-43.59
C[NH+](C)CCCCC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002698406	0	45	0.0	-57.62	365.37	10.63	-46.99
CC1=C(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002698427	1	44	0.0	-70.45	367.02	9.91	-60.54
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002698430	0	53	0.0	-62.24	408.86	13.09	-49.15
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002698442	1	46	0.0	-66.13	379.76	10.88	-55.25
C[NH+](C)CCC1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1	REAL300002698443	0	49	0.0	-67.03	389.80	12.07	-54.96
CNC1=[NH+]C(C)=CC=C1C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002698449	1	42	0.0	-40.87	352.75	9.05	-31.82
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002698450	1	51	0.0	-52.63	401.95	12.07	-40.56
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002698450	1	51	0.0	-57.21	411.38	12.34	-44.87
C[N@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1CCC1	REAL300002698470	0	43	0.0	-40.14	346.21	10.43	-29.71
C[N@@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1CCC1	REAL300002698470	1	43	0.0	-40.25	346.09	10.42	-29.83
CC(C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)[NH+]1CCSCC1	REAL300002698491	1	44	0.0	-42.22	352.20	10.29	-31.93
C[N@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)CC(C)(C)C	REAL300002698497	0	48	0.0	-40.22	369.61	10.94	-29.28
C[N@@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)CC(C)(C)C	REAL300002698497	1	48	0.0	-41.33	370.17	11.02	-30.31
C[N@H+](CCC1=CC=CC=C1)CC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002698499	0	49	0.0	-46.72	393.13	12.62	-34.10
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002698499	1	49	0.0	-45.36	399.13	12.88	-32.48
COCCOCC[N@H+](C)CCC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002698500	0	53	0.0	-50.43	428.16	9.12	-41.31
COCCOCC[N@@H+](C)CCC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002698500	1	53	0.0	-48.99	428.23	9.12	-39.87
C[N@@H+]1CCCC(O)(CC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002698504	0	47	0.0	-53.15	360.52	8.64	-44.51
C[N@H+]1CCCC(O)(CC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002698504	1	47	0.0	-52.08	357.75	8.74	-43.34
CCCCCC[N@H+](C)CC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002698516	0	51	0.0	-44.07	397.68	11.94	-32.13
CCCCCC[N@@H+](C)CC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002698516	1	51	0.0	-44.03	397.72	11.94	-32.09
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300002698530	1	38	0.0	-60.99	325.11	11.55	-49.44
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CC[C@@H]1[C@@H](C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC[N@@H+]1C	REAL300002698612	0	46	0.0	-48.18	347.03	9.87	-38.31
CC[C@@H]1[C@@H](C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC[N@H+]1C	REAL300002698612	1	46	0.0	-54.00	358.66	10.32	-43.68
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CC(C[NH+]1CCOCC1)C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002698631	0	47	0.0	-47.86	368.04	8.97	-38.89
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CC[N@@H+]1CCOC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002698658	1	44	0.0	-53.35	344.85	9.24	-44.11
CC[N@H+]1CCOC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002698658	1	44	0.0	-51.54	343.07	9.16	-42.38
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CC[NH+]1CCN(CCC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300002698902	0	51	0.0	-57.65	392.07	8.84	-48.81
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CC(C)C1=[NH+]C=CN1CCC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002698909	1	47	0.0	-45.68	385.47	11.65	-34.03
CC[N@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1CC1	REAL300002698915	0	43	0.0	-40.16	340.97	10.02	-30.14
CC[N@@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)C1CC1	REAL300002698915	1	43	0.0	-39.94	344.76	10.23	-29.71
CC(C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)[NH+]1CCCCCC1	REAL300002698942	0	49	0.0	-40.62	364.75	11.01	-29.61
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CC[NH+](CC)CC1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)O1	REAL300002699019	0	49	0.0	-47.10	394.65	11.70	-35.40
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C[N@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1)CC1=CC=CC=C1	REAL300002699023	1	46	0.0	-44.70	370.61	11.77	-32.93
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C[NH+](C)CC1=CC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=NO1	REAL300002699071	1	42	0.0	-68.54	353.11	9.78	-58.76
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002699075	0	53	0.0	-48.68	420.48	13.56	-35.12
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002699075	1	53	0.0	-48.75	413.36	13.31	-35.44
CC(C)[N@@H+]1CCCC1C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002699090	0	46	0.0	-42.96	346.19	10.38	-32.58
CC(C)[N@H+]1CCCC1C(=O)N(CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300002699090	1	46	0.0	-63.08	348.42	9.87	-53.21
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CCC[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002699265	0	49	0.0	-46.78	372.93	11.49	-35.29
CCC[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002699265	1	49	0.0	-54.32	383.03	11.37	-42.95
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CC(C)[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002699474	1	49	0.0	-45.21	368.67	11.22	-33.99
C[N@@H+]1CC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C(C(F)(F)F)C1	REAL300002699475	0	43	0.0	-63.85	347.87	9.84	-54.01
C[N@H+]1CC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C(C(F)(F)F)C1	REAL300002699475	1	43	0.0	-42.49	350.84	9.71	-32.78
CC1=C(C)[NH+]=C(CCC(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)N1	REAL300002699499	1	44	0.0	-44.94	370.27	9.78	-35.16
C[NH+](C)CCC1=CC=CC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)=C1	REAL300002699891	0	49	0.0	-70.31	394.07	12.32	-57.99
C[NH+](C)CCOC1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1	REAL300002699898	0	50	0.0	-66.12	397.12	11.03	-55.09
O=C([O-])CN(CC1=CC=C(F)C=C1)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002699988	0	56	0.0	-55.37	439.73	14.44	-40.93
C[NH+](C)[C@H]1C[C@H](C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002700017	0	43	0.0	-57.20	348.39	10.17	-47.03
C[NH+](C)[C@H]1CC[C@@H](C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)CC1	REAL300002700021	0	49	0.0	-60.04	363.40	10.73	-49.31
CC1=[NH+]C=C2C=CC(C(=O)N(CC(=O)[O-])CC3=CC=C(F)C=C3)=CN12	REAL300002700025	0	41	0.0	-54.82	355.90	11.57	-43.25
CC(C)C[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002700078	0	52	0.0	-51.60	392.58	12.09	-39.51
CC(C)C[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002700078	1	52	0.0	-45.63	390.98	12.13	-33.50
CC[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002700079	0	46	0.0	-52.01	353.44	10.65	-41.36
CC[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002700079	1	46	0.0	-46.80	347.26	10.54	-36.26
C[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002700083	0	43	0.0	-53.57	340.24	9.89	-43.68
C[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300002700083	1	43	0.0	-47.08	334.39	10.05	-37.03
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CCN(CC(=O)[O-])C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002702298	0	49	0.0	-77.11	387.04	10.12	-66.99
CCN(CC(=O)[O-])C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300002702303	0	49	0.0	-75.80	384.52	12.04	-63.76
CCN(CC(=O)[O-])C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300002702303	1	49	0.0	-75.13	385.99	12.10	-63.03
CCN(CC(=O)[O-])C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002702304	0	49	0.0	-38.42	353.05	10.27	-28.15
CCN(CC(=O)[O-])C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300002702330	0	46	0.0	-63.50	357.44	9.76	-53.74
CCN(CC(=O)[O-])C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002702330	1	46	0.0	-61.99	357.50	10.03	-51.96
CCN(CC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002702358	1	46	0.0	-61.05	356.21	10.51	-50.54
CCN(CC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002702358	1	46	0.0	-48.26	353.20	10.44	-37.82
CCN(CC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002702359	1	43	0.0	-49.81	341.35	9.89	-39.92
CCN(CC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002702359	1	43	0.0	-61.98	331.81	9.31	-52.67
CCN(CC(=O)[O-])C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300002702398	0	49	0.0	-80.08	388.13	9.94	-70.14
CCN(CC(=O)[O-])C(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1	REAL300002702424	0	48	0.0	-78.54	347.32	9.68	-68.86
CCN(CC(=O)[O-])C(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1	REAL300002702424	1	48	0.0	-64.31	353.23	10.04	-54.27
CCN(CC(=O)[O-])C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002702438	0	44	0.0	-65.59	330.73	8.80	-56.79
CCN(CC(=O)[O-])C(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300002702455	1	48	0.0	-72.62	364.50	8.21	-64.41
CCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002702461	0	49	0.0	-53.22	368.32	11.42	-41.80
CCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002702461	1	49	0.0	-53.73	374.31	11.18	-42.55
CCN(CC(=O)[O-])C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300002702490	1	47	0.0	-59.47	356.02	7.02	-52.45
CCN(CC(=O)[O-])C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002702503	0	46	0.0	-70.15	350.85	10.35	-59.80
CCN(CC(=O)[O-])C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1	REAL300002702508	0	54	0.0	-52.80	379.96	7.82	-44.98
CCN(CC(=O)[O-])C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1	REAL300002702510	0	56	0.0	-60.58	435.08	13.82	-46.76
CCN(CC(=O)[O-])C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1	REAL300002702510	1	56	0.0	-47.92	434.21	13.82	-34.10
CCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300002702514	1	50	0.0	-70.63	382.03	9.31	-61.32
CCN(CC(=O)[O-])C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002702524	1	47	0.0	-79.71	355.31	9.63	-70.08
CCN(CC(=O)[O-])C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002702524	1	47	0.0	-74.90	367.31	9.89	-65.01
CCN(CC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300002702537	0	46	0.0	-43.41	342.94	10.16	-33.25
CCN(CC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300002702537	1	46	0.0	-58.08	340.32	9.97	-48.11
CCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002702540	0	46	0.0	-67.91	348.45	10.23	-57.68
CCN(CC(=O)[O-])C(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300002702547	0	56	0.0	-69.39	420.95	13.30	-56.09
CCN(CC(=O)[O-])C(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300002702547	1	56	0.0	-69.22	421.12	13.27	-55.95
CCN(CC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002702550	1	44	0.0	-53.84	337.45	9.08	-44.76
CCN(CC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002702550	1	44	0.0	-34.91	333.94	8.95	-25.96
CCN(CC(=O)[O-])C(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C	REAL300002702551	0	53	0.0	-69.74	394.56	10.53	-59.21
CCN(CC(=O)[O-])C(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C	REAL300002702551	1	53	0.0	-70.83	401.33	10.96	-59.87
CCN(CC(=O)[O-])C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002702558	0	52	0.0	-39.79	383.35	11.55	-28.24
CCN(CC(=O)[O-])C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002702577	0	51	0.0	-72.44	387.28	9.50	-62.94
CCN(CC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300002702578	1	45	0.0	-47.29	338.02	8.42	-38.87
CCN(CC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300002702578	1	45	0.0	-34.58	334.48	8.26	-26.32
CCN(CC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300002702579	1	45	0.0	-62.76	344.75	8.67	-54.09
CCN(CC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300002702579	1	45	0.0	-34.31	334.58	8.22	-26.09
CCN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300002702594	0	51	0.0	-68.45	387.18	9.37	-59.08
CCN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002702595	0	48	0.0	-68.84	365.78	8.70	-60.14
CCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002702597	0	45	0.0	-54.06	340.10	8.78	-45.28
CCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002702597	1	45	0.0	-54.79	336.42	8.65	-46.14
CCC(CC)C(C(=O)N(CC)CC(=O)[O-])[NH+]1CCOCC1	REAL300002702605	1	49	0.0	-57.47	333.94	7.09	-50.38
CCN(CC(=O)[O-])C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002702619	0	46	0.0	-72.42	357.63	10.58	-61.84
CCN(CC(=O)[O-])C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002702619	1	46	0.0	-72.57	358.48	10.61	-61.96
CCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002702632	0	46	0.0	-60.58	357.75	10.46	-50.12
CCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002702632	1	46	0.0	-55.70	358.52	10.42	-45.28
CCN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002702634	0	47	0.0	-68.85	363.51	8.12	-60.73
CCN(CC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300002702658	0	51	0.0	-65.89	374.62	8.94	-56.95
CCN(CC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300002702658	1	51	0.0	-65.34	377.60	9.03	-56.31
CCN(CC(=O)[O-])C(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300002702660	0	52	0.0	-63.99	373.53	8.64	-55.35
CCN(CC(=O)[O-])C(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1	REAL300002702660	1	52	0.0	-62.12	366.40	8.15	-53.97
CCN(CC(=O)[O-])C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1	REAL300002702661	0	46	0.0	-77.72	350.00	7.78	-69.94
CCN(CC(=O)[O-])C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1	REAL300002702661	1	46	0.0	-56.48	333.85	7.19	-49.29
CCN(CC(=O)[O-])C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300002702664	0	48	0.0	-80.56	366.48	7.87	-72.69
CCN(CC(=O)[O-])C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300002702665	0	48	0.0	-76.88	365.57	7.70	-69.18
CCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300002702665	1	48	0.0	-68.10	365.27	7.73	-60.37
CCN(CC(=O)[O-])C(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300002702666	0	49	0.0	-69.18	368.16	9.30	-59.88
CCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002702693	0	50	0.0	-84.27	379.36	7.60	-76.67
CCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002702695	0	46	0.0	-51.90	345.76	10.55	-41.35
CCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002702695	1	46	0.0	-68.80	344.82	10.09	-58.71
CCN(CC(=O)[O-])C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300002702735	0	44	0.0	-61.28	334.50	6.28	-55.00
CCN(CC(=O)[O-])C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002702735	1	44	0.0	-44.47	333.92	7.13	-37.34
CCN(CC(=O)[O-])C(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1	REAL300002702738	0	42	0.0	-57.27	329.37	9.29	-47.98
CCN(CC(=O)[O-])C(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC	REAL300002702740	0	48	0.0	-49.61	358.12	10.13	-39.48
CCN(CC(=O)[O-])C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1	REAL300002702754	1	44	0.0	-54.50	345.16	10.14	-44.36
CCN(CC(=O)[O-])C(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1	REAL300002702755	1	49	0.0	-41.40	349.19	7.66	-33.74
CCN(CC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300002702769	1	44	0.0	-89.81	342.85	8.87	-80.94
CCN(CC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300002702769	1	44	0.0	-76.13	341.12	8.67	-67.46
CCN(CC(=O)[O-])C(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300002702797	1	45	0.0	-56.10	344.65	8.22	-47.88
CCN(CC(=O)[O-])C(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300002702799	0	51	0.0	-69.55	375.16	8.83	-60.72
CCN(CC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300002702816	0	46	0.0	-63.26	350.09	10.18	-53.08
CCN(CC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300002702816	1	46	0.0	-55.00	353.07	10.14	-44.86
CCN(CC(=O)[O-])C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002702829	0	47	0.0	-81.90	376.48	9.88	-72.02
CCN(CC(=O)[O-])C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300002702852	0	45	0.0	-62.29	339.19	8.25	-54.04
CCN(CC(=O)[O-])C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300002702852	1	45	0.0	-54.05	346.85	8.47	-45.58
CCN(CC(=O)[O-])C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300002702956	0	47	0.0	-40.30	351.74	10.42	-29.88
CCN(CC(=O)[O-])C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300002702956	1	47	0.0	-61.22	356.67	10.48	-50.74
CCN(CC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300002702976	1	46	0.0	-57.14	356.20	10.51	-46.63
CCN(CC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300002702976	1	46	0.0	-58.52	346.71	10.04	-48.48
CCN(CC(=O)[O-])C(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002703221	0	54	0.0	-48.01	416.08	10.31	-37.70
CCN(CC(=O)[O-])C(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002703221	1	54	0.0	-50.84	416.25	10.29	-40.55
CCN(CC(=O)[O-])C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002703244	0	49	0.0	-68.75	372.69	11.30	-57.45
CCN(CC(=O)[O-])C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300002703245	1	47	0.0	-69.19	354.51	8.64	-60.55
CCN(CC(=O)[O-])C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300002703245	1	47	0.0	-69.61	354.60	8.59	-61.02
CCN(CC(=O)[O-])C(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F	REAL300002703269	0	55	0.0	-56.86	387.16	11.38	-45.48
CCN(CC(=O)[O-])C(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F	REAL300002703269	1	55	0.0	-51.03	406.64	11.56	-39.47
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002704362	0	51	0.0	-83.18	398.32	10.12	-73.06
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300002705692	0	45	0.0	-77.50	346.09	7.75	-69.75
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC2=C[NH+]=C(C)N2C1	REAL300002705719	1	43	0.0	-69.62	344.79	7.62	-62.00
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1	REAL300002705783	1	50	0.0	-79.49	404.78	8.14	-71.35
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C(C)N1CC[NH+](C)CC1	REAL300002705784	1	46	0.0	-75.50	348.10	4.78	-70.72
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002705856	0	54	0.0	-79.58	430.77	9.63	-69.95
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002705915	0	36	0.0	-75.93	307.91	8.39	-67.54
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300002705943	0	50	0.0	-77.23	366.08	8.28	-68.95
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300002705947	0	50	0.0	-78.43	375.32	8.47	-69.96
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300002705947	1	50	0.0	-77.92	376.15	8.47	-69.45
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002706009	0	44	0.0	-81.92	365.55	7.52	-74.40
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002706025	0	52	0.0	-81.83	388.42	7.17	-74.66
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCN1C=C[NH+]=C1C	REAL300002706052	1	42	0.0	-73.35	347.88	7.80	-65.55
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC[NH+]1CCOCC1	REAL300002706053	1	48	0.0	-80.18	375.17	6.49	-73.69
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COC1=CC(C(=O)[O-])=CC=C1NC(=O)COC1CC[NH+](C)CC1	REAL300002706892	0	45	0.0	-81.53	356.87	6.89	-74.64
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002706898	0	48	0.0	-80.48	381.98	8.48	-72.00
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC)C1	REAL300002707046	0	47	0.0	-69.10	355.46	8.10	-61.00
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC)C1	REAL300002707046	1	47	0.0	-75.21	361.70	7.89	-67.32
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300002707260	0	47	0.0	-68.14	350.61	7.87	-60.27
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@H+](C(C)C)C1	REAL300002707260	1	47	0.0	-73.34	356.86	7.66	-65.68
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300002707261	0	41	0.0	-83.96	340.85	6.62	-77.34
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300002707261	1	41	0.0	-80.27	340.39	6.72	-73.55
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=[NH+]C(C)=C(C)N1	REAL300002707283	1	42	0.0	-70.93	347.97	6.16	-64.77
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300002707681	0	47	0.0	-78.83	378.39	9.20	-69.63
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300002707689	0	48	0.0	-82.80	384.66	8.16	-74.64
COC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002707782	0	54	0.0	-77.96	417.50	10.83	-67.13
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300002707784	1	52	0.0	-85.59	403.23	8.54	-77.05
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300002707784	1	52	0.0	-85.65	403.29	8.54	-77.11
COC1=CC(C(=O)[O-])=CC=C1NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300002707814	0	47	0.0	-69.66	350.26	7.57	-62.09
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN2C(=C[NH+]=C2C)C=C1	REAL300002707818	0	39	0.0	-71.81	329.34	8.16	-63.65
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@H+](CC(C)C)C1	REAL300002707869	0	50	0.0	-69.73	372.89	8.79	-60.94
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1CCC[N@@H+](CC(C)C)C1	REAL300002707869	1	50	0.0	-69.69	372.88	8.79	-60.90
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC)C1	REAL300002707870	0	44	0.0	-74.72	338.90	7.16	-67.56
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC)C1	REAL300002707870	1	44	0.0	-68.73	333.96	7.36	-61.37
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300002707876	1	41	0.0	-81.73	340.39	6.61	-75.12
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002707884	1	43	0.0	-72.24	334.59	7.50	-64.74
COC1=CC(C(=O)[O-])=CC=C1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300002707884	1	43	0.0	-73.72	333.89	7.87	-65.85
O=C([O-])C(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1CCOCC1	REAL300002709107	0	57	0.0	-64.00	422.04	9.46	-54.54
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300002709797	0	54	0.0	-47.71	397.78	8.32	-39.39
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300002709797	1	54	0.0	-53.21	409.73	8.78	-44.43
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C1CCOCC1	REAL300002710635	1	54	0.0	-54.76	420.70	8.77	-45.99
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C1CCOCC1	REAL300002710635	1	54	0.0	-53.70	419.43	9.41	-44.29
O=C([O-])C(CNC(=O)C1CC[NH+](C2CC2)CC1)C1CCOCC1	REAL300002710719	0	51	0.0	-58.94	375.57	6.99	-51.95
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CC1)C1CCOCC1	REAL300002710748	0	48	0.0	-45.76	350.91	6.22	-39.54
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CC1)C1CCOCC1	REAL300002710748	1	48	0.0	-50.46	356.58	5.98	-44.48
CC1=[NH+]C=C2CCC(C(=O)NCC(C(=O)[O-])C3CCOCC3)CN21	REAL300002710754	1	49	0.0	-55.41	373.75	6.89	-48.52
O=C([O-])C(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1CCOCC1	REAL300002710755	0	57	0.0	-54.09	420.66	9.47	-44.62
CC1=NC(C[NH+]2CCC(C(=O)NCC(C(=O)[O-])C3CCOCC3)CC2)=CS1	REAL300002710833	1	56	0.0	-61.13	429.44	7.22	-53.91
CC(C(=O)NCC(C(=O)[O-])C1CCOCC1)N1CC[NH+](C)CC1	REAL300002710834	1	52	0.0	-62.34	374.23	4.07	-58.27
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC(C(=O)[O-])C2CCOCC2)C=C1	REAL300002710920	0	60	0.0	-68.76	451.98	8.97	-59.79
CC1(C(=O)NCC(C(=O)[O-])C2CCOCC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002710932	0	60	0.0	-48.55	432.83	9.90	-38.65
O=C([O-])C(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)C1CCOCC1	REAL300002710990	0	42	0.0	-63.91	336.29	7.62	-56.29
C[NH+](C)CC1(C(=O)NCC(C(=O)[O-])C2CCOCC2)CCCCC1	REAL300002711023	0	56	0.0	-46.82	394.59	7.50	-39.32
C[N@H+](CCC(=O)NCC(C(=O)[O-])C1CCOCC1)C1CCCCC1	REAL300002711028	0	56	0.0	-56.76	397.50	7.84	-48.92
C[N@@H+](CCC(=O)NCC(C(=O)[O-])C1CCOCC1)C1CCCCC1	REAL300002711028	1	56	0.0	-56.17	396.38	7.81	-48.36
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C1CCOCC1	REAL300002711047	1	57	0.0	-47.62	423.67	9.47	-38.15
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C1CCOCC1	REAL300002711047	1	57	0.0	-55.98	431.17	9.35	-46.63
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C1CCOCC1	REAL300002711048	1	54	0.0	-51.12	404.19	8.39	-42.73
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C1CCOCC1	REAL300002711048	1	54	0.0	-57.42	416.14	8.84	-48.58
O=C([O-])C(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1CCOCC1	REAL300002711103	0	50	0.0	-67.82	390.06	6.85	-60.97
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)C1CCOCC1	REAL300002711127	0	57	0.0	-47.68	397.80	8.00	-39.68
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1C1CCCC1)C1CCOCC1	REAL300002711127	1	57	0.0	-47.94	391.73	8.18	-39.76
O=C([O-])C(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C1CCOCC1	REAL300002711128	0	58	0.0	-53.81	411.33	6.26	-47.55
CC1=[NH+]C=CN1CCCC(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711158	1	48	0.0	-57.49	368.88	7.12	-50.37
O=C(CCCC[NH+]1CCOCC1)NCC(C(=O)[O-])C1CCOCC1	REAL300002711159	1	54	0.0	-66.85	404.38	5.72	-61.13
CC[N@H+](CC1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOCC2)C=C1)C(C)C	REAL300002711161	0	59	0.0	-67.67	420.21	9.18	-58.49
CC[N@@H+](CC1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOCC2)C=C1)C(C)C	REAL300002711161	1	59	0.0	-69.08	419.19	9.08	-60.00
O=C([O-])C(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300002711196	0	54	0.0	-60.36	409.20	8.51	-51.85
O=C([O-])C(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300002711196	1	54	0.0	-57.92	405.38	8.73	-49.19
O=C([O-])C(CNC(=O)C1CC[NH+](C2CCSC2)CC1)C1CCOCC1	REAL300002711197	0	55	0.0	-65.70	404.70	8.12	-57.58
C[NH+]1CCN(C(C(=O)NCC(C(=O)[O-])C2CCOCC2)C2=CC=CC=C2)CC1	REAL300002711225	1	59	0.0	-61.84	431.38	7.51	-54.33
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC(C(=O)[O-])C1CCOCC1	REAL300002711226	0	58	0.0	-56.03	394.14	6.09	-49.94
CCC(C(=O)NCC(C(=O)[O-])C1CCOCC1)[NH+](CC)CC	REAL300002711230	0	52	0.0	-50.33	372.28	6.44	-43.89
CC(C(=O)NCC(C(=O)[O-])C1CCOCC1)[N@H+](C)CC1=CC=CC=C1	REAL300002711232	0	53	0.0	-51.89	395.87	8.22	-43.67
CC(C(=O)NCC(C(=O)[O-])C1CCOCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300002711232	1	53	0.0	-55.33	401.08	8.10	-47.23
O=C([O-])C(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1CCOCC1	REAL300002711242	0	60	0.0	-62.12	442.73	10.31	-51.81
O=C([O-])C(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1CCOCC1	REAL300002711242	1	60	0.0	-58.95	443.58	10.26	-48.69
C[NH+](C)CC1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOCC2)C=N1	REAL300002711266	0	49	0.0	-67.39	374.85	5.86	-61.53
CCC[NH+](CCC)CCCC(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711275	0	58	0.0	-59.12	416.11	8.15	-50.97
O=C([O-])C(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C1CCOCC1	REAL300002711276	1	58	0.0	-53.23	434.02	6.08	-47.15
CC[N@H+](C)C(C(=O)NCC(C(=O)[O-])C1CCOCC1)C1=CC=CC=C1	REAL300002711277	0	53	0.0	-49.33	394.05	8.33	-41.00
CC[N@@H+](C)C(C(=O)NCC(C(=O)[O-])C1CCOCC1)C1=CC=CC=C1	REAL300002711277	1	53	0.0	-49.67	393.42	8.37	-41.30
C[N@@H+]1CCOC(C(=O)NCC(C(=O)[O-])C2CCOCC2)C1	REAL300002711279	1	45	0.0	-47.69	336.43	4.44	-43.25
C[N@H+]1CCOC(C(=O)NCC(C(=O)[O-])C2CCOCC2)C1	REAL300002711279	1	45	0.0	-44.35	329.38	4.54	-39.81
CC[NH+](CC)C(C(=O)NCC(C(=O)[O-])C1CCOCC1)C1=CC=CC=C1	REAL300002711282	0	56	0.0	-53.29	405.53	8.65	-44.64
CC(C)C1=[NH+]C=CN1CC(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711290	1	48	0.0	-49.37	366.55	6.95	-42.42
C[NH+](C)C(C(=O)NCC(C(=O)[O-])C1CCOCC1)C1=CC=C(Cl)C=C1	REAL300002711294	1	50	0.0	-56.93	397.59	8.15	-48.78
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1CCOCC1	REAL300002711307	0	54	0.0	-66.90	402.86	8.83	-58.07
O=C([O-])C(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1CCOCC1	REAL300002711314	0	57	0.0	-68.20	425.84	9.47	-58.73
CCN1CCC([NH+]2CCC(C(=O)NCC(C(=O)[O-])C3CCOCC3)CC2)CC1	REAL300002711320	0	65	0.0	-63.68	457.04	6.86	-56.82
C[NH+](C)CCCCC(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711332	0	49	0.0	-63.18	363.28	6.36	-56.82
CC(C)C(C(=O)NCC(C(=O)[O-])C1CCOCC1)[NH+](C)C	REAL300002711340	0	49	0.0	-46.19	341.50	5.67	-40.52
O=C([O-])C(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1CCOCC1	REAL300002711342	1	58	0.0	-68.69	433.67	8.62	-60.07
O=C([O-])C(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CCOCC1	REAL300002711342	1	58	0.0	-65.91	428.52	8.71	-57.20
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300002711354	0	57	0.0	-47.94	424.77	9.29	-38.65
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C1CCOCC1	REAL300002711354	1	57	0.0	-45.64	409.15	9.19	-36.45
CC1=C(C(=O)NCC(C(=O)[O-])C2CCOCC2)C=NN1C1=CC=[NH+]C=C1	REAL300002711356	1	48	0.0	-74.44	380.28	5.98	-68.46
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCOCC1	REAL300002711364	0	57	0.0	-69.59	420.31	9.53	-60.06
O=C([O-])C(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1CCOCC1	REAL300002711377	1	50	0.0	-73.92	390.62	6.31	-67.61
C[NH+](C)CCC1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOCC2)C=C1	REAL300002711378	0	53	0.0	-70.89	400.55	8.53	-62.36
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711390	1	46	0.0	-50.96	355.42	5.21	-45.75
O=C([O-])C(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1CCOCC1	REAL300002711391	1	55	0.0	-46.51	407.86	8.10	-38.41
O=C([O-])C(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CCOCC1	REAL300002711391	1	55	0.0	-46.62	406.04	8.11	-38.51
CC(C(=O)NCC(C(=O)[O-])C1CCOCC1)[NH+]1CCSCC1	REAL300002711448	1	48	0.0	-52.94	361.50	5.98	-46.96
C[N@H+](CC(=O)NCC(C(=O)[O-])C1CCOCC1)CC(C)(C)C	REAL300002711454	0	52	0.0	-53.48	373.96	6.55	-46.93
C[N@@H+](CC(=O)NCC(C(=O)[O-])C1CCOCC1)CC(C)(C)C	REAL300002711454	1	52	0.0	-52.75	376.26	6.72	-46.03
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711456	0	53	0.0	-57.54	405.26	8.57	-48.97
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711456	1	53	0.0	-54.47	400.04	8.67	-45.80
COCCOCC[N@H+](C)CCC(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711457	0	57	0.0	-59.64	434.30	4.76	-54.88
COCCOCC[N@@H+](C)CCC(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711457	1	57	0.0	-58.66	426.09	4.85	-53.81
C[N@@H+]1CCCC(O)(CC(=O)NCC(C(=O)[O-])C2CCOCC2)C1	REAL300002711461	0	51	0.0	-59.72	366.75	4.30	-55.42
C[N@H+]1CCCC(O)(CC(=O)NCC(C(=O)[O-])C2CCOCC2)C1	REAL300002711461	1	51	0.0	-52.02	367.90	4.58	-47.44
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C1CCOCC1	REAL300002711478	1	56	0.0	-51.27	419.77	7.52	-43.75
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C1CCOCC1	REAL300002711478	1	56	0.0	-54.54	405.13	7.47	-47.07
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C1CCOCC1	REAL300002711479	1	56	0.0	-53.36	404.04	7.34	-46.02
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C1CCOCC1	REAL300002711479	1	56	0.0	-47.90	404.07	7.42	-40.48
CCCCCC[N@H+](C)CC(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711481	0	55	0.0	-55.05	409.86	7.88	-47.17
CCCCCC[N@@H+](C)CC(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711481	1	55	0.0	-50.60	403.64	7.95	-42.65
O=C([O-])C(CNC(=O)C12CCC[NH+]1CCC2)C1CCOCC1	REAL300002711491	0	48	0.0	-45.30	343.81	6.23	-39.07
O=C([O-])C(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)C1CCOCC1	REAL300002711499	1	42	0.0	-64.75	331.34	7.74	-57.01
C[N@H+](CC(=O)NCC(C(=O)[O-])C1CCOCC1)C1CCSC1	REAL300002711517	0	48	0.0	-54.10	358.43	6.48	-47.62
C[N@@H+](CC(=O)NCC(C(=O)[O-])C1CCOCC1)C1CCSC1	REAL300002711517	1	48	0.0	-53.46	357.25	6.45	-47.01
CC(C)[NH+]1CCN(CCC(=O)NCC(C(=O)[O-])C2CCOCC2)CC1	REAL300002711532	0	58	0.0	-60.89	416.25	5.40	-55.49
CC(C)N1CC[NH+](CCC(=O)NCC(C(=O)[O-])C2CCOCC2)CC1	REAL300002711532	1	58	0.0	-55.43	409.76	5.20	-50.23
CC(C)[NH+]1CCN(CCCC(=O)NCC(C(=O)[O-])C2CCOCC2)CC1	REAL300002711533	0	61	0.0	-62.30	435.94	6.22	-56.08
CC(C)N1CC[NH+](CCCC(=O)NCC(C(=O)[O-])C2CCOCC2)CC1	REAL300002711533	1	61	0.0	-62.53	439.28	5.90	-56.63
O=C([O-])C(CNC(=O)C1CCCC2CCC[N@@H+]21)C1CCOCC1	REAL300002711534	0	51	0.0	-48.30	370.70	6.97	-41.33
O=C([O-])C(CNC(=O)C1CCCC2CCC[N@H+]21)C1CCOCC1	REAL300002711534	1	51	0.0	-47.69	356.60	6.78	-40.91
C[NH+](C)CCN1C=C(C(=O)NCC(C(=O)[O-])C2CCOCC2)C=N1	REAL300002711536	0	50	0.0	-74.22	390.44	5.64	-68.58
O=C([O-])C(CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCOCC1	REAL300002711545	0	59	0.0	-59.46	430.71	7.56	-51.90
O=C([O-])C(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1CCOCC1	REAL300002711548	0	56	0.0	-60.65	413.99	7.64	-53.01
O=C([O-])C(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1CCOCC1	REAL300002711548	1	56	0.0	-59.88	415.84	7.68	-52.20
CC(C(=O)NCC(C(=O)[O-])C1CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002711553	1	54	0.0	-50.63	395.94	8.78	-41.85
CC(C(=O)NCC(C(=O)[O-])C1CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002711553	1	54	0.0	-53.53	401.20	8.71	-44.82
CCCC(C(=O)NCC(C(=O)[O-])C1CCOCC1)[NH+](C)C	REAL300002711576	0	49	0.0	-48.25	349.93	6.01	-42.24
O=C([O-])C(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300002711578	0	57	0.0	-61.28	424.97	9.43	-51.85
O=C([O-])C(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300002711578	1	57	0.0	-65.93	430.94	9.38	-56.55
C[NH+](C)CCN1C=CC(C(=O)NCC(C(=O)[O-])C2CCOCC2)=N1	REAL300002711593	0	50	0.0	-73.12	390.80	5.64	-67.48
C[NH+](C)CCN1N=CC=C1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711594	0	50	0.0	-60.46	385.90	5.60	-54.86
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711600	1	51	0.0	-55.03	392.06	7.34	-47.69
CC[C@@H]1[C@@H](C(=O)NCC(C(=O)[O-])C2CCOCC2)CC[N@@H+]1C	REAL300002711603	0	50	0.0	-59.68	363.55	5.83	-53.85
CC[C@@H]1[C@@H](C(=O)NCC(C(=O)[O-])C2CCOCC2)CC[N@H+]1C	REAL300002711603	1	50	0.0	-55.54	366.81	6.47	-49.07
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711607	1	46	0.0	-45.14	344.64	5.98	-39.16
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711607	1	46	0.0	-48.15	353.72	6.55	-41.60
CC1C[N@H+](C)CC(C(=O)NCC(C(=O)[O-])C2CCOCC2)O1	REAL300002711615	1	48	0.0	-63.60	350.97	5.41	-58.19
CC1C[N@@H+](C)CC(C(=O)NCC(C(=O)[O-])C2CCOCC2)O1	REAL300002711615	1	48	0.0	-61.05	357.60	5.17	-55.88
O=C([O-])C(CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1CCOCC1	REAL300002711621	0	57	0.0	-63.95	433.67	9.39	-54.56
O=C([O-])C(CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1CCOCC1	REAL300002711621	1	57	0.0	-61.48	428.42	9.48	-52.00
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C1CCOCC1	REAL300002711622	1	53	0.0	-43.64	395.48	6.74	-36.90
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C1CCOCC1	REAL300002711622	1	53	0.0	-57.03	406.51	6.98	-50.05
CC(C[NH+]1CCOCC1)C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711627	0	51	0.0	-57.49	369.21	4.95	-52.54
O=C([O-])C(CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1CCOCC1	REAL300002711628	0	58	0.0	-59.63	428.46	6.98	-52.65
CC1CC[NH+](CC(=O)NCC(C(=O)[O-])C2CCOCC2)CC1	REAL300002711638	0	50	0.0	-53.68	369.08	6.63	-47.05
CC[N@@H+]1CCOC(C(=O)NCC(C(=O)[O-])C2CCOCC2)C1	REAL300002711653	1	48	0.0	-46.94	354.16	5.07	-41.87
CC[N@H+]1CCOC(C(=O)NCC(C(=O)[O-])C2CCOCC2)C1	REAL300002711653	1	48	0.0	-56.77	348.94	5.17	-51.60
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC(C(=O)[O-])C2CCOCC2)CC1	REAL300002711692	1	57	0.0	-66.41	422.69	7.79	-58.62
O=C([O-])C(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1CCOCC1	REAL300002711693	0	57	0.0	-55.94	411.61	8.06	-47.88
O=C([O-])C(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)C1CCOCC1	REAL300002711693	1	57	0.0	-58.69	411.44	8.02	-50.67
C[N@@H+]1CCCC1CCC(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711700	0	50	0.0	-59.93	366.50	6.75	-53.18
C[N@H+]1CCCC1CCC(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711700	1	50	0.0	-62.14	368.07	6.16	-55.98
O=C([O-])C(CNC(=O)C12CCC[NH+](CCC1)C2)C1CCOCC1	REAL300002711712	0	51	0.0	-61.73	358.29	6.43	-55.30
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711716	0	48	0.0	-49.77	354.49	2.22	-47.55
C[N@H+]1CC(O)CC1(C)C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711716	1	48	0.0	-52.08	347.33	2.40	-49.68
O=C([O-])C(CNC(=O)C1CCC2CCCC[N@@H+]21)C1CCOCC1	REAL300002711717	0	51	0.0	-47.27	368.83	7.16	-40.11
O=C([O-])C(CNC(=O)C1CCC2CCCC[N@H+]21)C1CCOCC1	REAL300002711717	1	51	0.0	-47.45	366.96	7.18	-40.27
CC(C)(C[NH+]1CCOCC1)C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711725	0	54	0.0	-57.01	379.02	5.31	-51.70
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC(C(=O)[O-])C2CCOCC2)C=N1	REAL300002711730	0	57	0.0	-70.77	415.51	6.62	-64.15
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCC(C(=O)[O-])C2CCOCC2)C=N1	REAL300002711730	1	57	0.0	-72.92	422.50	6.51	-66.41
C[NH+]1CCN(CC2=CC=CC(C(=O)NCC(C(=O)[O-])C3CCOCC3)=C2)CC1	REAL300002711734	0	59	0.0	-65.02	437.74	7.14	-57.88
C[NH+]1CCN(CC2=CC=C(C(=O)NCC(C(=O)[O-])C3CCOCC3)C=C2)CC1	REAL300002711735	0	59	0.0	-68.88	436.80	6.96	-61.92
CN1CC[NH+](CC2=CC=C(C(=O)NCC(C(=O)[O-])C3CCOCC3)C=C2)CC1	REAL300002711735	1	59	0.0	-70.23	437.12	7.03	-63.20
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOCC2)C=C1	REAL300002711736	0	60	0.0	-65.27	439.24	8.53	-56.74
CC(C)[NH+]1CCC(C(=O)NCC(C(=O)[O-])C2CCOCC2)CC1	REAL300002711744	0	53	0.0	-55.09	375.15	6.80	-48.29
O=C([O-])C(CNC(=O)C12CC[N@H+](C1)CCC2)C1CCOCC1	REAL300002711831	0	48	0.0	-64.62	348.04	5.36	-59.26
O=C([O-])C(CNC(=O)C12CC[N@@H+](C1)CCC2)C1CCOCC1	REAL300002711831	1	48	0.0	-63.44	347.69	5.35	-58.09
CC1CCC(C)[NH+]1CC(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711884	0	50	0.0	-47.45	355.01	6.23	-41.22
C[NH+](C)CC1=CC=CC(C(=O)NCC(C(=O)[O-])C2CCOCC2)=C1	REAL300002711885	0	50	0.0	-70.80	384.33	7.62	-63.18
O=C([O-])C(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300002711886	0	57	0.0	-59.44	427.24	9.32	-50.12
O=C([O-])C(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300002711886	1	57	0.0	-59.45	427.21	9.32	-50.13
C#CC[NH+]1CCC(C(=O)NCC(C(=O)[O-])C2CCOCC2)CC1	REAL300002711957	0	49	0.0	-61.56	370.67	7.10	-54.46
CCC[N@@H+]1CCCCC1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711959	0	53	0.0	-51.67	377.99	6.97	-44.70
CCC[N@H+]1CCCCC1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711959	1	53	0.0	-45.65	378.99	7.19	-38.46
C[NH+](C)CC1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711960	0	50	0.0	-56.48	377.20	7.90	-48.58
CC[NH+]1CCN(CCC(=O)NCC(C(=O)[O-])C2CCOCC2)CC1	REAL300002711962	0	55	0.0	-63.33	403.57	4.65	-58.68
CCN1CC[NH+](CCC(=O)NCC(C(=O)[O-])C2CCOCC2)CC1	REAL300002711962	1	55	0.0	-55.49	396.52	4.88	-50.61
CC(C)C(C(=O)NCC(C(=O)[O-])C1CCOCC1)[NH+]1CCCCC1	REAL300002711964	0	56	0.0	-45.39	390.20	8.32	-37.07
C[NH+](C)C(C(=O)NCC(C(=O)[O-])C1CCOCC1)C1=CC=CC=C1	REAL300002711965	1	50	0.0	-49.86	380.79	7.63	-42.23
O=C([O-])C(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300002711969	0	55	0.0	-58.48	419.11	5.55	-52.93
O=C([O-])C(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300002711969	1	55	0.0	-58.23	419.32	5.55	-52.68
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002711975	1	51	0.0	-51.49	383.38	7.38	-44.11
C[NH+](C)CC1=C(C(=O)NCC(C(=O)[O-])C2CCOCC2)OC2=CC=CC=C21	REAL300002711976	0	53	0.0	-60.38	400.16	8.04	-52.34
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CCCC1)C1CCOCC1	REAL300002711981	0	54	0.0	-46.72	372.90	7.52	-39.20
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CCCC1)C1CCOCC1	REAL300002711981	1	54	0.0	-51.26	378.45	7.65	-43.61
CC(C)C(C(=O)NCC(C(=O)[O-])C1CCOCC1)[NH+]1CC(C)OC(C)C1	REAL300002712011	1	60	0.0	-43.53	419.23	6.54	-36.99
CC(C(=O)NCC(C(=O)[O-])C1CCOCC1)[NH+]1CCCCCC1	REAL300002712012	0	53	0.0	-49.57	377.22	6.93	-42.64
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(C(=O)[O-])C3CCOCC3)=CC=C1N2	REAL300002712050	1	55	0.0	-76.47	419.06	8.05	-68.42
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(C(=O)[O-])C3CCOCC3)=CC=C1N2	REAL300002712050	1	55	0.0	-76.13	419.27	8.03	-68.10
CC[NH+](CC)CC1=CC=C(C(=O)NCC(C(=O)[O-])C2CCOCC2)O1	REAL300002712103	0	53	0.0	-62.71	405.98	7.32	-55.39
O=C(CCCC[NH+]1CCCC1)NCC(C(=O)[O-])C1CCOCC1	REAL300002712104	0	53	0.0	-61.33	389.24	7.54	-53.79
CC1=CC=C(N2CCC(C(=O)NCC(C(=O)[O-])C3CCOCC3)CC2)[NH+]=C1	REAL300002712106	1	56	0.0	-59.15	413.13	7.33	-51.82
C[N@H+](CC(=O)NCC(C(=O)[O-])C1CCOCC1)CC1=CC=CC=C1	REAL300002712107	1	50	0.0	-53.61	377.56	7.82	-45.79
C[N@@H+](CC(=O)NCC(C(=O)[O-])C1CCOCC1)CC1=CC=CC=C1	REAL300002712107	1	50	0.0	-52.18	376.62	7.78	-44.40
CC(C)[C@@H](C(=O)NCC(C(=O)[O-])C1CCOCC1)[NH+](C)C	REAL300002712118	0	49	0.0	-53.27	342.87	5.76	-47.51
O=C([O-])C(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CCOCC1	REAL300002712131	1	45	0.0	-69.95	360.20	5.66	-64.29
C[NH+](C)CC1=CC(C(=O)NCC(C(=O)[O-])C2CCOCC2)=NO1	REAL300002712162	1	46	0.0	-73.13	359.00	5.20	-67.93
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002712166	0	57	0.0	-59.46	422.67	9.20	-50.26
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002712166	1	57	0.0	-63.14	428.11	9.19	-53.95
CC(C)[N@@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002712183	0	50	0.0	-50.48	353.37	6.48	-44.00
CC(C)[N@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002712183	1	50	0.0	-48.60	357.90	6.36	-42.24
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC(C(=O)[O-])C2CCOCC2)C=C1	REAL300002712190	0	58	0.0	-73.26	448.61	8.59	-64.67
C[NH+]1CCC(OCC(=O)NCC(C(=O)[O-])C2CCOCC2)CC1	REAL300002712210	0	51	0.0	-69.22	386.07	6.23	-62.99
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CCOCC1	REAL300002712215	0	54	0.0	-63.99	405.23	7.93	-56.06
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC(C(=O)[O-])C2CCOCC2)[C@@H](C(F)(F)F)C1	REAL300002712260	0	56	0.0	-50.72	414.87	7.43	-43.29
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC(C(=O)[O-])C2CCOCC2)[C@@H](C(F)(F)F)C1	REAL300002712260	1	56	0.0	-45.54	413.88	7.48	-38.06
CCC[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCOCC2)C1	REAL300002712410	0	53	0.0	-56.10	382.86	7.26	-48.84
CCC[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCOCC2)C1	REAL300002712410	1	53	0.0	-55.45	381.71	7.24	-48.21
CC(C)C[N@@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002712443	0	53	0.0	-51.26	375.23	7.50	-43.76
CC(C)C[N@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1CCOCC1	REAL300002712443	1	53	0.0	-50.31	385.07	6.79	-43.52
O=C([O-])C(CNC(=O)C[NH+]1CCC(CO)CC1)C1CCOCC1	REAL300002712444	0	51	0.0	-54.60	379.92	3.33	-51.27
O=C([O-])C(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1CCOCC1	REAL300002712547	0	58	0.0	-56.71	434.73	9.60	-47.11
O=C([O-])C(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1CCOCC1	REAL300002712547	1	58	0.0	-64.17	435.69	9.65	-54.52
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C1CCOCC1	REAL300002712589	1	57	0.0	-53.14	431.21	9.35	-43.79
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C1CCOCC1	REAL300002712589	1	57	0.0	-51.70	421.72	9.19	-42.51
CC(C)[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCOCC2)C1	REAL300002712682	0	53	0.0	-50.79	370.62	7.22	-43.57
CC(C)[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCOCC2)C1	REAL300002712682	1	53	0.0	-51.39	371.71	7.24	-44.15
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CC1C[N@@H+](CC2=CC=C(C(=O)NCC(C(=O)[O-])C3CCOCC3)C=C2)CCO1	REAL300002713315	1	58	0.0	-71.32	424.65	7.91	-63.41
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(C(=O)[O-])C2CCOCC2)CC1	REAL300002713361	0	53	0.0	-63.26	378.41	6.83	-56.43
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CC[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCOCC2)C1	REAL300002713430	1	50	0.0	-52.03	355.09	6.73	-45.30
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CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(C(=O)[O-])C1=CC=CC=C1	REAL300002716357	1	54	0.0	-77.22	411.74	11.93	-65.29
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CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(C(=O)[O-])C1=CC=CC=C1	REAL300002716376	0	53	0.0	-79.17	399.85	13.01	-66.16
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CNC1=[NH+]C(C)=CC=C1C(=O)N(C)C(C(=O)[O-])C1=CC=CC=C1	REAL300002716394	1	42	0.0	-58.64	334.17	8.07	-50.57
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O=C([O-])C1(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCOCC1	REAL300002720837	1	44	0.0	-78.87	341.86	6.01	-72.86
C[NH+](C)CCC1=CC=C(C(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300002720838	0	47	0.0	-89.14	358.01	8.15	-80.99
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCOCC1	REAL300002720881	0	47	0.0	-63.59	356.51	8.17	-55.42
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCOCC1	REAL300002720881	1	47	0.0	-63.83	356.51	8.17	-55.66
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CCOCC1	REAL300002720882	0	51	0.0	-67.43	385.51	4.41	-63.02
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CCOCC1	REAL300002720882	1	51	0.0	-70.81	385.56	4.41	-66.40
C[N@@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300002720885	0	45	0.0	-65.75	317.99	3.51	-62.24
C[N@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300002720885	1	45	0.0	-65.50	327.69	3.71	-61.79
C[N@H+](CC(=O)NC1(C(=O)[O-])CCOCC1)C1CCSC1	REAL300002720913	0	42	0.0	-66.92	316.87	5.95	-60.97
C[N@@H+](CC(=O)NC1(C(=O)[O-])CCOCC1)C1CCSC1	REAL300002720913	1	42	0.0	-62.77	316.65	5.97	-56.80
CC(C)[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300002720923	0	52	0.0	-74.11	372.72	4.98	-69.13
CC(C)N1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300002720923	1	52	0.0	-67.69	369.55	4.80	-62.89
CC(C)[NH+]1CCN(CCCC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300002720924	0	55	0.0	-73.19	389.11	5.40	-67.79
CC(C)N1CC[NH+](CCCC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300002720924	1	55	0.0	-71.19	390.71	5.57	-65.62
C[NH+](C)CCN1C=C(C(=O)NC2(C(=O)[O-])CCOCC2)C=N1	REAL300002720926	0	44	0.0	-82.14	341.67	5.34	-76.80
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3(C(=O)[O-])CCOCC3)CC2)=C1	REAL300002720929	0	56	0.0	-71.49	411.59	7.80	-63.69
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NC1(C(=O)[O-])CCOCC1	REAL300002720931	0	53	0.0	-71.49	390.18	7.13	-64.36
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCOCC1	REAL300002720934	0	50	0.0	-65.65	364.43	7.26	-58.39
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCOCC1	REAL300002720934	1	50	0.0	-70.83	373.34	7.13	-63.70
CC(C(=O)NC1(C(=O)[O-])CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002720939	1	48	0.0	-61.71	352.39	8.28	-53.43
CC(C(=O)NC1(C(=O)[O-])CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002720939	1	48	0.0	-62.28	352.43	8.29	-53.99
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NC1(C(=O)[O-])CCOCC1	REAL300002720958	0	51	0.0	-74.62	381.80	8.96	-65.66
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NC1(C(=O)[O-])CCOCC1	REAL300002720958	1	51	0.0	-75.64	382.76	8.99	-66.65
C[NH+](C)CCN1C=CC(C(=O)NC2(C(=O)[O-])CCOCC2)=N1	REAL300002720969	0	44	0.0	-90.61	342.05	5.35	-85.26
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C(=O)[O-])CCOCC1	REAL300002720970	0	44	0.0	-59.76	337.18	5.17	-54.59
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C(=O)[O-])CCOCC1	REAL300002720971	1	45	0.0	-63.42	343.33	6.93	-56.49
CC(C[NH+]1CCOCC1)C(=O)NC1(C(=O)[O-])CCOCC1	REAL300002720986	1	45	0.0	-54.52	328.10	4.59	-49.93
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)NC1(C(=O)[O-])CCOCC1	REAL300002720987	0	52	0.0	-70.80	387.93	6.55	-64.25
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300002721023	1	51	0.0	-82.92	374.14	7.17	-75.75
O=C([O-])C1(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)CCOCC1	REAL300002721024	0	51	0.0	-68.73	362.08	7.65	-61.08
O=C([O-])C1(NC(=O)C2CC[N@H+](C3CCCCC3)C2)CCOCC1	REAL300002721024	1	51	0.0	-65.85	362.04	7.65	-58.20
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3(C(=O)[O-])CCOCC3)=C2)CC1	REAL300002721049	0	53	0.0	-73.28	394.20	6.72	-66.56
C[NH+]1CCN(CC2=CC=C(C(=O)NC3(C(=O)[O-])CCOCC3)C=C2)CC1	REAL300002721050	0	53	0.0	-85.93	393.26	6.54	-79.39
CN1CC[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCOCC3)C=C2)CC1	REAL300002721050	1	53	0.0	-86.42	393.60	6.62	-79.80
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300002721051	0	54	0.0	-84.83	400.51	8.45	-76.38
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCOCC1	REAL300002721129	0	55	0.0	-89.55	408.76	6.46	-83.09
C[NH+](C)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300002721133	0	44	0.0	-75.66	335.56	7.31	-68.35
O=C([O-])C1(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300002721134	0	51	0.0	-65.92	378.53	8.98	-56.94
O=C([O-])C1(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300002721134	1	51	0.0	-67.16	378.46	8.98	-58.18
CC[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300002721175	0	49	0.0	-75.79	355.98	4.47	-71.32
CCN1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300002721175	1	49	0.0	-67.88	355.99	4.45	-63.43
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C(=O)[O-])CCOCC1	REAL300002721181	1	45	0.0	-62.80	342.84	6.96	-55.84
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCOCC3)=CC=C1N2	REAL300002721227	1	49	0.0	-83.22	370.52	7.71	-75.51
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCOCC3)=CC=C1N2	REAL300002721227	1	49	0.0	-83.24	370.52	7.72	-75.52
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCOCC2)O1	REAL300002721267	0	47	0.0	-79.40	357.56	7.03	-72.37
CC1=CC=C(N2CCC(C(=O)NC3(C(=O)[O-])CCOCC3)CC2)[NH+]=C1	REAL300002721268	1	50	0.0	-74.33	371.41	6.87	-67.46
C[N@H+](CC(=O)NC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300002721269	1	44	0.0	-64.95	334.03	7.32	-57.63
C[N@@H+](CC(=O)NC1(C(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300002721269	1	44	0.0	-64.58	334.04	7.31	-57.27
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3(C(=O)[O-])CCOCC3)C=C2)CC1	REAL300002721272	0	56	0.0	-85.07	403.52	7.69	-77.38
O=C([O-])C1(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCOCC1	REAL300002721281	1	39	0.0	-79.67	316.67	5.28	-74.39
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCOCC1	REAL300002721308	0	51	0.0	-71.17	382.83	8.85	-62.32
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCOCC1	REAL300002721308	1	51	0.0	-77.41	382.67	8.85	-68.56
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300002721325	0	52	0.0	-85.38	399.85	8.27	-77.11
C[NH+]1CCC(OCC(=O)NC2(C(=O)[O-])CCOCC2)CC1	REAL300002721336	0	45	0.0	-80.19	337.33	5.52	-74.67
O=C([O-])C1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCOCC1	REAL300002721340	0	48	0.0	-80.59	362.44	7.42	-73.17
O=C(C[NH+]1CCC(CO)CC1)NC1(C(=O)[O-])CCOCC1	REAL300002721486	1	45	0.0	-64.12	331.18	2.91	-61.21
C[N@@H+]1CC(C(=O)NC2(C(=O)[O-])CCOCC2)C(C(F)(F)F)C1	REAL300002721641	0	41	0.0	-78.30	304.00	4.93	-73.37
C[N@H+]1CC(C(=O)NC2(C(=O)[O-])CCOCC2)C(C(F)(F)F)C1	REAL300002721641	1	41	0.0	-76.30	307.50	5.04	-71.26
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C(=O)[O-])CCOCC2)=C1	REAL300002721982	0	47	0.0	-80.28	358.01	8.14	-72.14
C[NH+](C)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCOCC2)C=C1	REAL300002721987	0	48	0.0	-83.72	365.31	7.10	-76.62
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1(C(=O)[O-])CCOCC1	REAL300002722059	0	54	0.0	-72.24	397.08	9.66	-62.58
CC1C[N@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCOCC3)C=C2)CCO1	REAL300002722061	1	52	0.0	-88.15	389.59	7.53	-80.62
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCOCC3)C=C2)CCO1	REAL300002722061	1	52	0.0	-86.75	389.60	7.52	-79.23
CC1=[NH+]C=C2C=CC(C(=O)NC3(C(=O)[O-])CCOCC3)=CN21	REAL300002722084	0	39	0.0	-68.40	308.96	7.11	-61.29
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300002722121	0	50	0.0	-61.50	346.92	7.45	-54.05
CC(C)C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCOCC2)C1	REAL300002722121	1	50	0.0	-55.51	349.48	7.54	-47.97
O=C([O-])CC1CCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002723391	0	50	0.0	-80.42	368.61	11.79	-68.63
O=C([O-])CC1CCCN1C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300002724165	0	47	0.0	-69.90	356.72	10.19	-59.71
O=C([O-])CC1CCCN1C(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300002724165	1	47	0.0	-68.64	354.86	10.17	-58.47
O=C([O-])CC1CCCN1C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300002724873	1	47	0.0	-71.76	372.16	10.67	-61.09
O=C([O-])CC1CCCN1C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300002724873	1	47	0.0	-68.52	368.66	10.26	-58.26
O=C([O-])CC1CCCN1C(=O)C1COCC[N@@H+]1C1CCCC1	REAL300002724941	1	48	0.0	-69.22	336.61	7.02	-62.20
O=C([O-])CC1CCCN1C(=O)C1COCC[N@H+]1C1CCCC1	REAL300002724941	1	48	0.0	-69.23	337.71	7.04	-62.19
O=C([O-])CC1CCCN1C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300002724944	0	50	0.0	-68.72	372.06	10.51	-58.21
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC3CC(=O)[O-])CC2)=CS1	REAL300002725005	1	49	0.0	-81.42	376.33	9.60	-71.82
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300002725062	0	53	0.0	-81.03	408.94	10.48	-70.55
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC2CC(=O)[O-])=C1	REAL300002725075	0	53	0.0	-85.08	401.64	13.60	-71.48
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC2CC(=O)[O-])=C1	REAL300002725075	1	53	0.0	-83.47	401.59	13.60	-69.87
CC1(C(=O)N2CCCC2CC(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300002725076	0	53	0.0	-70.95	374.03	11.74	-59.21
O=C([O-])CC1CCCN1C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300002725114	0	50	0.0	-64.41	377.94	11.80	-52.61
O=C([O-])CC1CCCN1C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002725114	1	50	0.0	-62.87	378.05	11.77	-51.10
O=C([O-])CC1CCCN1C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002725168	1	50	0.0	-56.89	368.97	11.83	-45.06
O=C([O-])CC1CCCN1C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002725168	1	50	0.0	-71.39	366.64	10.40	-60.99
O=C([O-])CC1CCCN1C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002725169	0	47	0.0	-72.77	361.84	10.22	-62.55
O=C([O-])CC1CCCN1C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002725169	1	47	0.0	-69.34	358.34	9.81	-59.53
O=C([O-])CC1CCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002725217	0	43	0.0	-82.51	341.40	7.91	-74.60
C[NH+](C)CCN1N=CC(C(=O)N2CCCC2CC(=O)[O-])=C1C1=CC=CC=C1	REAL300002725222	0	53	0.0	-89.28	398.92	11.05	-78.23
O=C([O-])CC1CCCN1C(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300002725246	0	50	0.0	-57.27	334.06	10.16	-47.11
O=C([O-])CC1CCCN1C(=O)C1CCCC[N@H+]1C1CCCC1	REAL300002725246	1	50	0.0	-55.97	339.08	10.30	-45.67
O=C([O-])CC1CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002725247	0	51	0.0	-85.72	359.17	8.87	-76.85
CC[N@H+](CC1=CC=C(C(=O)N2CCCC2CC(=O)[O-])C=C1)C(C)C	REAL300002725269	0	52	0.0	-94.02	365.56	11.07	-82.95
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC2CC(=O)[O-])C=C1)C(C)C	REAL300002725269	1	52	0.0	-90.64	366.06	11.08	-79.56
O=C([O-])CC1CCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002725290	0	47	0.0	-74.31	355.67	10.02	-64.29
O=C([O-])CC1CCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002725290	1	47	0.0	-73.86	355.16	9.95	-63.91
O=C([O-])CC1CCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002725291	0	48	0.0	-82.60	351.62	10.50	-72.10
C[NH+]1CCN(C(C(=O)N2CCCC2CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300002725312	1	52	0.0	-73.94	388.12	8.86	-65.08
O=C([O-])CC1CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002725313	0	51	0.0	-52.26	348.01	8.08	-44.18
CC(C(=O)N1CCCC1CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002725316	0	46	0.0	-53.26	336.22	10.52	-42.74
CC(C(=O)N1CCCC1CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002725316	1	46	0.0	-65.59	342.36	10.36	-55.23
O=C([O-])CC1CCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002725323	0	53	0.0	-66.67	387.61	11.60	-55.07
O=C([O-])CC1CCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002725323	1	53	0.0	-77.63	394.90	11.48	-66.15
O=C([O-])CC1CCCN1C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300002725360	0	51	0.0	-65.65	373.05	7.10	-58.55
CC[N@H+](C)C(C(=O)N1CCCC1CC(=O)[O-])C1=CC=CC=C1	REAL300002725361	0	46	0.0	-64.28	342.74	9.56	-54.72
CC[N@@H+](C)C(C(=O)N1CCCC1CC(=O)[O-])C1=CC=CC=C1	REAL300002725361	1	46	0.0	-65.25	345.44	9.66	-55.59
CC[NH+](CC)C(C(=O)N1CCCC1CC(=O)[O-])C1=CC=CC=C1	REAL300002725366	0	49	0.0	-66.79	352.90	9.83	-56.96
C[NH+](C)C(C(=O)N1CCCC1CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002725369	1	43	0.0	-60.51	321.12	10.05	-50.46
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002725383	0	47	0.0	-94.55	349.89	11.17	-83.38
O=C([O-])CC1CCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002725389	0	50	0.0	-80.00	366.48	11.85	-68.15
CCC(C(=O)N1CCCC1CC(=O)[O-])[N@@H+]1CCOC(CC)C1	REAL300002725392	1	50	0.0	-67.09	349.99	7.49	-59.60
CCC(C(=O)N1CCCC1CC(=O)[O-])[N@H+]1CCOC(CC)C1	REAL300002725392	1	50	0.0	-56.57	352.54	8.73	-47.84
CCN1CCC([NH+]2CCC(C(=O)N3CCCC3CC(=O)[O-])CC2)CC1	REAL300002725395	0	58	0.0	-80.08	403.90	8.21	-71.87
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC3CC(=O)[O-])C=C2)CC(C)O1	REAL300002725401	1	54	0.0	-96.87	399.90	10.91	-85.96
O=C([O-])CC1CCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002725412	1	51	0.0	-86.40	382.03	10.15	-76.25
O=C([O-])CC1CCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002725412	1	51	0.0	-83.28	388.80	10.21	-73.07
O=C([O-])CC1CCCN1C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300002725427	0	50	0.0	-67.64	359.97	10.32	-57.32
O=C([O-])CC1CCCN1C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300002725427	1	50	0.0	-67.62	360.20	10.33	-57.29
CC1=C(C(=O)N2CCCC2CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002725429	1	41	0.0	-87.31	319.49	8.35	-78.96
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002725437	0	50	0.0	-94.57	366.64	11.88	-82.69
O=C([O-])CC1CCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002725448	1	43	0.0	-79.01	337.24	8.04	-70.97
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300002725449	0	46	0.0	-99.15	347.45	10.86	-88.29
O=C([O-])CC1CCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002725456	1	48	0.0	-84.16	363.57	9.42	-74.74
O=C([O-])CC1CCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002725456	1	48	0.0	-84.63	364.05	9.44	-75.19
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC1CC(=O)[O-]	REAL300002725460	0	57	0.0	-71.50	413.69	12.70	-58.80
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC1CC(=O)[O-]	REAL300002725460	1	57	0.0	-68.20	416.30	12.80	-55.40
CC(C(=O)N1CCCC1CC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002725468	0	56	0.0	-67.61	411.48	12.12	-55.49
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1CC(=O)[O-]	REAL300002725500	0	46	0.0	-72.03	354.50	10.09	-61.94
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1CC(=O)[O-]	REAL300002725500	1	46	0.0	-72.40	354.02	10.13	-62.27
COCCOCC[N@H+](C)CCC(=O)N1CCCC1CC(=O)[O-]	REAL300002725501	0	50	0.0	-74.05	382.96	6.36	-67.69
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1CC(=O)[O-]	REAL300002725501	1	50	0.0	-75.73	383.07	6.37	-69.36
O=C([O-])CC1CCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002725510	0	55	0.0	-79.81	408.67	9.83	-69.98
O=C([O-])CC1CCCN1C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300002725511	1	49	0.0	-71.66	354.92	8.58	-63.08
O=C([O-])CC1CCCN1C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300002725511	1	49	0.0	-71.65	355.23	8.60	-63.05
O=C([O-])CC1CCCN1C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300002725512	1	49	0.0	-55.96	357.35	9.90	-46.06
O=C([O-])CC1CCCN1C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300002725512	1	49	0.0	-54.25	355.26	9.92	-44.33
CC(C)[NH+]1CCN(CCC(=O)N2CCCC2CC(=O)[O-])CC1	REAL300002725539	0	51	0.0	-75.45	370.24	6.91	-68.54
CC(C)N1CC[NH+](CCC(=O)N2CCCC2CC(=O)[O-])CC1	REAL300002725539	1	51	0.0	-74.42	369.63	6.88	-67.54
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC2CC(=O)[O-])CC1	REAL300002725540	0	54	0.0	-73.47	386.62	7.34	-66.13
CC(C)N1CC[NH+](CCCC(=O)N2CCCC2CC(=O)[O-])CC1	REAL300002725540	1	54	0.0	-75.61	388.24	7.50	-68.11
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC3CC(=O)[O-])CC2)=C1	REAL300002725545	0	55	0.0	-78.33	408.58	9.68	-68.65
O=C([O-])CC1CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002725546	0	52	0.0	-78.29	387.69	9.07	-69.22
O=C([O-])CC1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002725550	0	49	0.0	-65.43	357.73	10.32	-55.11
O=C([O-])CC1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002725550	1	49	0.0	-75.61	366.12	8.72	-66.89
CC(C(=O)N1CCCC1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002725554	0	47	0.0	-69.09	346.20	9.89	-59.20
CC(C(=O)N1CCCC1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002725554	1	47	0.0	-68.31	345.65	9.88	-58.43
CC(C(=O)N1CCCC1CC(=O)[O-])[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300002725556	1	52	0.0	-71.93	386.05	8.78	-63.15
CCC(CC)C(C(=O)N1CCCC1CC(=O)[O-])[NH+]1CCOCC1	REAL300002725566	1	53	0.0	-56.78	353.91	8.80	-47.98
O=C([O-])CC1CCCN1C(=O)C(C1=CC=CC(Br)=C1)[NH+]1CCCC1	REAL300002725579	1	47	0.0	-67.55	377.65	10.95	-56.60
O=C([O-])CC1CCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002725580	0	50	0.0	-79.22	377.41	10.87	-68.35
O=C([O-])CC1CCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002725580	1	50	0.0	-79.40	380.75	10.94	-68.46
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC2CC(=O)[O-])=NN1	REAL300002725595	1	44	0.0	-82.30	337.46	6.99	-75.31
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC2CC(=O)[O-])=NN1	REAL300002725595	1	44	0.0	-82.05	337.82	6.98	-75.07
O=C([O-])CC1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002725605	0	50	0.0	-66.12	369.22	12.15	-53.97
O=C([O-])CC1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002725605	1	50	0.0	-75.70	377.66	10.64	-65.06
O=C([O-])CC1CCCN1C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300002725606	1	46	0.0	-66.73	347.43	8.14	-58.59
O=C([O-])CC1CCCN1C(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300002725606	1	46	0.0	-73.20	348.90	8.30	-64.90
O=C([O-])CC1CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002725608	0	51	0.0	-77.28	385.44	8.48	-68.80
O=C([O-])CC1CCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002725639	0	50	0.0	-72.30	357.09	9.39	-62.91
O=C([O-])CC1CCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002725639	1	50	0.0	-74.61	357.54	9.38	-65.23
O=C([O-])CC1CCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300002725654	0	55	0.0	-78.47	406.47	9.85	-68.62
O=C([O-])CC1CCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300002725654	1	55	0.0	-82.56	402.24	9.39	-73.17
CC(C)[N@@H+]1CCC(C(=O)N2CCCC2CC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002725660	0	56	0.0	-82.63	407.95	9.39	-73.24
CC(C)[N@H+]1CCC(C(=O)N2CCCC2CC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002725660	1	56	0.0	-83.93	402.48	8.90	-75.03
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC2CC(=O)[O-])C=N1	REAL300002725661	0	50	0.0	-87.62	366.55	7.77	-79.85
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC2CC(=O)[O-])C=N1	REAL300002725661	1	50	0.0	-82.38	373.54	9.57	-72.81
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC3CC(=O)[O-])=C2)CC1	REAL300002725666	0	52	0.0	-79.61	383.60	9.42	-70.19
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC3CC(=O)[O-])C=C2)CC1	REAL300002725667	0	52	0.0	-93.88	383.55	9.45	-84.43
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC3CC(=O)[O-])C=C2)CC1	REAL300002725667	1	52	0.0	-95.42	383.04	9.33	-86.09
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300002725668	0	53	0.0	-90.76	389.87	10.77	-79.99
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002725740	0	54	0.0	-95.61	398.21	9.19	-86.42
O=C([O-])CC1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002725742	0	50	0.0	-69.06	365.09	10.73	-58.33
O=C([O-])CC1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002725742	1	50	0.0	-59.27	361.13	11.86	-47.41
O=C([O-])CC1CCCN1C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300002725796	0	48	0.0	-69.20	357.55	8.40	-60.80
O=C([O-])CC1CCCN1C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002725796	1	48	0.0	-70.38	362.83	7.16	-63.22
C[NH+](C)CC1=C(C(=O)N2CCCC2CC(=O)[O-])OC2=CC=CC=C21	REAL300002725800	0	46	0.0	-58.73	358.04	9.56	-49.17
CC[NH+](CC)C(C(=O)N1CCCC1CC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300002725802	0	52	0.0	-61.73	383.20	11.50	-50.23
O=C([O-])CC1CCCN1C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1	REAL300002725826	1	48	0.0	-54.23	360.00	11.58	-42.65
CC(C)C(C(=O)N1CCCC1CC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300002725827	1	53	0.0	-64.69	357.50	8.33	-56.36
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3CC(=O)[O-])=CC=C1N2	REAL300002725849	1	48	0.0	-91.03	360.03	10.31	-80.72
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3CC(=O)[O-])=CC=C1N2	REAL300002725849	1	48	0.0	-90.53	359.96	10.31	-80.22
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2CC(=O)[O-])O1	REAL300002725899	0	46	0.0	-80.08	351.82	8.85	-71.23
CC1=CC=C(N2CCC(C(=O)N3CCCC3CC(=O)[O-])CC2)[NH+]=C1	REAL300002725901	1	49	0.0	-79.32	361.69	9.69	-69.63
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC3CC(=O)[O-])C=C2)CC1	REAL300002725904	0	55	0.0	-84.60	396.03	9.10	-75.50
O=C([O-])CC1CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300002725913	1	38	0.0	-84.63	304.48	7.94	-76.69
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1CC(=O)[O-]	REAL300002725944	0	50	0.0	-79.89	374.84	11.91	-67.98
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1CC(=O)[O-]	REAL300002725944	1	50	0.0	-81.68	376.72	10.63	-71.05
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300002725960	0	51	0.0	-85.41	396.11	10.16	-75.25
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002725976	0	47	0.0	-81.80	357.83	9.29	-72.51
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC2CC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300002726002	0	49	0.0	-77.01	363.87	8.73	-68.28
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC2CC(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300002726002	1	49	0.0	-69.21	361.08	9.97	-59.24
O=C([O-])CC1CCCN1C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300002726195	0	51	0.0	-82.42	378.92	10.90	-71.52
O=C([O-])CC1CCCN1C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300002726195	1	51	0.0	-80.43	379.41	10.86	-69.57
O=C([O-])CC1CCCN1C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300002726223	1	50	0.0	-39.31	358.28	10.76	-28.55
O=C([O-])CC1CCCN1C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300002726223	1	50	0.0	-43.58	359.58	10.86	-32.72
C[N@@H+]1CC(C(=O)N2CCCC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300002726286	0	40	0.0	-45.05	293.81	6.99	-38.06
C[N@H+]1CC(C(=O)N2CCCC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300002726286	1	40	0.0	-78.25	314.21	7.22	-71.03
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC2CC(=O)[O-])=C1	REAL300002726643	0	46	0.0	-87.38	347.41	10.84	-76.54
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300002726647	0	47	0.0	-92.49	354.76	9.82	-82.67
O=C([O-])CC1CCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002726712	0	53	0.0	-76.25	394.59	11.67	-64.58
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC3CC(=O)[O-])C=C2)CCO1	REAL300002726714	1	51	0.0	-96.13	372.15	10.13	-86.00
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC3CC(=O)[O-])C=C2)CCO1	REAL300002726714	1	51	0.0	-96.71	372.23	10.17	-86.54
CC(NC(=O)C1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002728060	0	54	0.0	-73.39	423.93	9.06	-64.33
CC(NC(=O)C1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002728060	1	54	0.0	-72.96	424.30	9.03	-63.93
CC(NC(=O)C1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C1)C(=O)[O-]	REAL300002728772	0	51	0.0	-76.27	395.49	7.76	-68.51
CC(NC(=O)C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=C1)C(=O)[O-]	REAL300002728796	1	48	0.0	-70.10	384.09	7.39	-62.71
CC(NC(=O)C1=CC=C(NC(=O)C2CCC[N@H+]2C2CC2)C=C1)C(=O)[O-]	REAL300002728796	1	48	0.0	-73.38	377.12	6.77	-66.61
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C(=O)NC(C)C(=O)[O-])C=C3)CN21	REAL300002728802	1	49	0.0	-68.78	394.70	7.62	-61.16
CC(NC(=O)C1=CC=C(NC(=O)C2CCCC[N@@H+]2C)C=C1)C(=O)[O-]	REAL300002728874	1	47	0.0	-73.38	358.98	6.29	-67.09
CC(NC(=O)C1=CC=C(NC(=O)C2CCCC[N@H+]2C)C=C1)C(=O)[O-]	REAL300002728874	1	47	0.0	-72.92	358.83	6.31	-66.61
CC(NC(=O)C1=CC=C(NC(=O)C(C)N2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002728875	1	52	0.0	-73.29	399.57	4.76	-68.53
CC(NC(=O)C1=CC=C(NC(=O)[C@@H]2CCCC[N@@H+]2C)C=C1)C(=O)[O-]	REAL300002728910	1	47	0.0	-73.43	359.28	6.26	-67.17
CC(NC(=O)C1=CC=C(NC(=O)[C@@H]2CCCC[N@H+]2C)C=C1)C(=O)[O-]	REAL300002728910	1	47	0.0	-71.49	368.14	6.50	-64.99
CC(NC(=O)C1=CC=C(NC(=O)C2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002728984	0	47	0.0	-78.42	371.41	6.54	-71.88
CC(NC(=O)C1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1)C(=O)[O-]	REAL300002729014	0	42	0.0	-75.02	357.04	8.37	-66.65
CC(NC(=O)C1=CC=C(NC(=O)C2(C[NH+](C)C)CCCCC2)C=C1)C(=O)[O-]	REAL300002729044	0	56	0.0	-77.66	408.53	8.32	-69.34
CC(NC(=O)C1=CC=C(NC(=O)CC[N@H+](C)C2CCCCC2)C=C1)C(=O)[O-]	REAL300002729049	0	56	0.0	-78.17	424.71	8.49	-69.68
CC(NC(=O)C1=CC=C(NC(=O)CC[N@@H+](C)C2CCCCC2)C=C1)C(=O)[O-]	REAL300002729049	1	56	0.0	-77.73	424.80	8.52	-69.21
CC(NC(=O)C1=CC=C(NC(=O)C2CCC[N@@H+]2C)C=C1)C(=O)[O-]	REAL300002729065	1	44	0.0	-74.45	346.48	5.45	-69.00
CC(NC(=O)C1=CC=C(NC(=O)C2CCC[N@H+]2C)C=C1)C(=O)[O-]	REAL300002729065	1	44	0.0	-73.85	346.41	5.48	-68.37
CC(NC(=O)C1=CC=C(NC(=O)C2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002729118	0	47	0.0	-78.42	371.41	6.54	-71.88
CC(NC(=O)C1=CC=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1)C(=O)[O-]	REAL300002729136	0	57	0.0	-70.48	418.82	8.83	-61.65
CC(NC(=O)C1=CC=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1)C(=O)[O-]	REAL300002729136	1	57	0.0	-69.69	423.85	8.70	-60.99
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729171	1	48	0.0	-72.31	397.83	7.76	-64.55
CC(NC(=O)C1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300002729172	1	54	0.0	-78.54	424.82	6.48	-72.06
CC(NC(=O)C1=CC=C(NC(=O)[C@H](C)[NH+](C)C)C=C1)C(=O)[O-]	REAL300002729178	0	43	0.0	-73.63	344.60	5.33	-68.30
CC(NC(=O)C1=CC=C(NC(=O)[C@H]2CCC[N@@H+]2C)C=C1)C(=O)[O-]	REAL300002729179	1	44	0.0	-71.96	352.90	5.95	-66.01
CC(NC(=O)C1=CC=C(NC(=O)[C@H]2CCC[N@H+]2C)C=C1)C(=O)[O-]	REAL300002729179	1	44	0.0	-74.91	346.69	5.44	-69.47
CC(NC(=O)C1=CC=C(NC(=O)[C@@H](C)[NH+](C)C)C=C1)C(=O)[O-]	REAL300002729183	0	43	0.0	-73.14	344.38	5.29	-67.85
CC(NC(=O)C1=CC=C(NC(=O)C2([NH+](C)C)CC2)C=C1)C(=O)[O-]	REAL300002729191	1	44	0.0	-76.89	352.79	5.49	-71.40
CC(NC(=O)C1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300002729232	0	54	0.0	-77.29	431.72	9.31	-67.98
CC(NC(=O)C1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300002729232	1	54	0.0	-77.00	429.70	9.28	-67.72
CCC(C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)[NH+](CC)CC	REAL300002729257	0	52	0.0	-68.25	392.01	7.30	-60.95
CC(NC(=O)C1=CC=C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002729259	1	53	0.0	-76.64	421.29	8.93	-67.71
CC(NC(=O)C1=CC=C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002729259	1	53	0.0	-77.25	421.10	8.92	-68.33
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C=C1)C(=O)[O-]	REAL300002729284	0	49	0.0	-78.74	400.50	6.52	-72.22
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729289	0	58	0.0	-75.84	448.86	9.08	-66.76
CC[N@H+](C)C(C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002729290	1	53	0.0	-70.35	419.93	9.02	-61.33
CC[N@@H+](C)C(C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002729290	1	53	0.0	-71.39	419.21	9.01	-62.38
CC[NH+](CC)C(C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002729293	0	56	0.0	-72.64	425.11	9.14	-63.50
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729303	1	48	0.0	-70.27	392.24	7.61	-62.66
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1)C(=O)[O-]	REAL300002729314	0	54	0.0	-81.35	429.84	9.50	-71.85
CC(NC(=O)C1=CC=C(NC(=O)C2(C[NH+](C)C)CC2)C=C1)C(=O)[O-]	REAL300002729323	0	47	0.0	-76.29	375.67	6.61	-69.68
CC(NC(=O)C1=CC=C(NC(=O)CCCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002729329	0	49	0.0	-76.20	391.92	7.03	-69.17
CC(C)C(C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)[NH+](C)C	REAL300002729337	0	49	0.0	-73.77	376.07	7.01	-66.76
CC1=C(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002729347	1	48	0.0	-80.43	400.46	6.77	-73.66
CC(NC(=O)C1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1)C(=O)[O-]	REAL300002729362	1	50	0.0	-78.46	409.79	7.02	-71.44
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C=C1)C(=O)[O-]	REAL300002729363	0	53	0.0	-82.56	427.20	9.23	-73.33
CCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729381	0	46	0.0	-76.31	366.10	6.29	-70.02
CCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729381	1	46	0.0	-76.00	365.62	6.33	-69.67
CC(NC(=O)C1=CC=C(NC(=O)C[N@H+](C)C2CCC2)C=C1)C(=O)[O-]	REAL300002729403	0	47	0.0	-73.91	372.51	6.90	-67.01
CC(NC(=O)C1=CC=C(NC(=O)C[N@@H+](C)C2CCC2)C=C1)C(=O)[O-]	REAL300002729403	1	47	0.0	-73.51	372.65	6.88	-66.63
CC(NC(=O)C1=CC=C(NC(=O)C[N@H+](C)CC(C)(C)C)C=C1)C(=O)[O-]	REAL300002729427	0	52	0.0	-75.81	396.50	7.47	-68.34
CC(NC(=O)C1=CC=C(NC(=O)C[N@@H+](C)CC(C)(C)C)C=C1)C(=O)[O-]	REAL300002729427	1	52	0.0	-75.63	396.50	7.47	-68.16
CC(NC(=O)C1=CC=C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002729429	1	53	0.0	-79.99	425.69	9.33	-70.66
CC(NC(=O)C1=CC=C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002729429	1	53	0.0	-80.26	425.72	9.32	-70.94
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729430	0	57	0.0	-77.34	454.30	5.53	-71.81
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729430	1	57	0.0	-78.11	454.57	5.54	-72.57
CC[C@@H](C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)[NH+](C)C	REAL300002729433	0	46	0.0	-71.38	356.77	5.95	-65.43
CC(NC(=O)C1=CC=C(NC(=O)CC2(O)CCC[N@H+](C)C2)C=C1)C(=O)[O-]	REAL300002729435	0	51	0.0	-70.72	396.94	5.14	-65.58
CC(NC(=O)C1=CC=C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C=C1)C(=O)[O-]	REAL300002729435	1	51	0.0	-69.90	387.14	4.96	-64.94
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729457	0	55	0.0	-77.70	430.32	8.64	-69.06
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729457	1	55	0.0	-77.31	430.12	8.68	-68.63
CC(NC(=O)C1=CC=C(NC(=O)C23CCC[NH+]2CCC3)C=C1)C(=O)[O-]	REAL300002729468	0	48	0.0	-76.60	370.97	6.85	-69.75
CC(NC(=O)C1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C1)C(=O)[O-]	REAL300002729476	1	42	0.0	-79.03	356.68	8.42	-70.61
CC(NC(=O)C1=CC=C(NC(=O)C[N@H+](C)C2CCSC2)C=C1)C(=O)[O-]	REAL300002729487	1	48	0.0	-82.85	386.21	7.08	-75.77
CC(NC(=O)C1=CC=C(NC(=O)C[N@@H+](C)C2CCSC2)C=C1)C(=O)[O-]	REAL300002729487	1	48	0.0	-80.63	385.76	7.14	-73.49
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CC1	REAL300002729504	0	58	0.0	-75.49	437.11	5.66	-69.83
CC(C)N1CC[NH+](CCC(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CC1	REAL300002729504	1	58	0.0	-78.02	439.04	5.87	-72.15
CC(NC(=O)C1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C=C1)C(=O)[O-]	REAL300002729505	0	51	0.0	-68.12	391.26	7.68	-60.44
CC(NC(=O)C1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C=C1)C(=O)[O-]	REAL300002729505	1	51	0.0	-71.35	382.44	7.47	-63.88
CC(NC(=O)C1=CC=C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C=C1)C(=O)[O-]	REAL300002729507	0	50	0.0	-81.20	410.87	6.37	-74.83
CC(NC(=O)C1=CC=C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C=C1)C(=O)[O-]	REAL300002729522	1	54	0.0	-76.69	424.83	9.29	-67.40
CC(NC(=O)C1=CC=C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C=C1)C(=O)[O-]	REAL300002729522	1	54	0.0	-75.85	422.57	9.37	-66.48
CCCC(C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)[NH+](C)C	REAL300002729539	0	49	0.0	-73.50	382.06	7.10	-66.40
CC(NC(=O)C1=CC=C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C=C1)C(=O)[O-]	REAL300002729553	0	50	0.0	-85.91	411.07	6.41	-79.50
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=NN2CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002729554	0	50	0.0	-68.51	405.94	6.37	-62.14
CC(NC(=O)C1=CC=C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C=C1)C(=O)[O-]	REAL300002729557	0	47	0.0	-77.56	364.32	6.02	-71.54
CC(NC(=O)C1=CC=C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C=C1)C(=O)[O-]	REAL300002729557	1	47	0.0	-76.27	368.73	6.29	-69.98
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729559	1	51	0.0	-69.66	412.51	8.11	-61.55
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CC[N@@H+]1C	REAL300002729562	0	50	0.0	-76.55	383.16	6.56	-69.99
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CC[N@H+]1C	REAL300002729562	1	50	0.0	-74.34	386.71	7.13	-67.21
CC(NC(=O)C1=CC=C(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C=C1)C(=O)[O-]	REAL300002729564	1	51	0.0	-79.36	412.75	5.94	-73.42
CC(NC(=O)C1=CC=C(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C=C1)C(=O)[O-]	REAL300002729564	1	51	0.0	-79.98	411.89	6.00	-73.98
CC(NC(=O)C1=CC=C(NC(=O)C2C[N@H+](C)CC(C)O2)C=C1)C(=O)[O-]	REAL300002729571	1	48	0.0	-85.16	378.15	5.95	-79.21
CC(NC(=O)C1=CC=C(NC(=O)C2C[N@@H+](C)CC(C)O2)C=C1)C(=O)[O-]	REAL300002729571	1	48	0.0	-87.25	377.65	5.53	-81.72
CC(NC(=O)C1=CC=C(NC(=O)C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002729579	1	44	0.0	-75.17	351.63	5.94	-69.23
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729581	1	42	0.0	-70.80	355.99	6.51	-64.29
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729583	1	51	0.0	-77.27	397.97	5.58	-71.69
CC(NC(=O)C1=CC=C(NC(=O)C[NH+]2CCC(C)CC2)C=C1)C(=O)[O-]	REAL300002729602	1	50	0.0	-76.59	389.12	7.38	-69.21
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C1	REAL300002729613	1	48	0.0	-84.18	382.02	5.90	-78.28
CC[N@H+]1CCOC(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C1	REAL300002729613	1	48	0.0	-85.49	381.41	5.91	-79.58
CC(NC(=O)C1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C1)C(=O)[O-]	REAL300002729647	0	57	0.0	-74.51	432.37	8.79	-65.72
CC(NC(=O)C1=CC=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C=C1)C(=O)[O-]	REAL300002729647	1	57	0.0	-76.80	432.17	8.72	-68.08
CC(NC(=O)C1=CC=C(NC(=O)CCC2CCC[N@@H+]2C)C=C1)C(=O)[O-]	REAL300002729652	0	50	0.0	-73.56	387.93	6.92	-66.64
CC(NC(=O)C1=CC=C(NC(=O)CCC2CCC[N@H+]2C)C=C1)C(=O)[O-]	REAL300002729652	1	50	0.0	-78.65	390.43	7.21	-71.44
CC(NC(=O)C1=CC=C(NC(=O)C23CCC[NH+](CCC2)C3)C=C1)C(=O)[O-]	REAL300002729664	0	51	0.0	-74.39	383.92	7.10	-67.29
CC(NC(=O)C1=CC=C(NC(=O)C2(C)CC(O)C[N@@H+]2C)C=C1)C(=O)[O-]	REAL300002729666	1	48	0.0	-79.62	372.72	3.04	-76.58
CC(NC(=O)C1=CC=C(NC(=O)C2(C)CC(O)C[N@H+]2C)C=C1)C(=O)[O-]	REAL300002729666	1	48	0.0	-79.58	374.50	2.94	-76.64
CC(NC(=O)C1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=C1)C(=O)[O-]	REAL300002729667	0	51	0.0	-69.87	394.28	7.84	-62.03
CC(NC(=O)C1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C=C1)C(=O)[O-]	REAL300002729667	1	51	0.0	-71.54	387.22	7.39	-64.15
CC(NC(=O)C1=CC=C(NC(=O)C(C)(C)C[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300002729674	0	54	0.0	-73.00	407.27	5.96	-67.04
CC[NH+](CC)CC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729689	0	46	0.0	-74.44	358.39	5.94	-68.50
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CC1	REAL300002729691	0	53	0.0	-76.83	401.89	7.47	-69.36
CC(NC(=O)C1=CC=C(NC(=O)C23CC[NH+](CC2)C3)C=C1)C(=O)[O-]	REAL300002729770	0	45	0.0	-77.20	357.89	5.46	-71.74
CCC(C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)[NH+](C)C	REAL300002729773	0	46	0.0	-73.19	360.95	6.30	-66.89
CC(NC(=O)C1=CC=C(NC(=O)C23CC[N@H+](C2)CCC3)C=C1)C(=O)[O-]	REAL300002729781	0	48	0.0	-75.82	369.22	6.10	-69.72
CC(NC(=O)C1=CC=C(NC(=O)C23CC[N@@H+](C2)CCC3)C=C1)C(=O)[O-]	REAL300002729781	1	48	0.0	-83.45	367.39	6.19	-77.26
CC(NC(=O)C1=CC=C(NC(=O)C[NH+]2C(C)CCC2C)C=C1)C(=O)[O-]	REAL300002729825	0	50	0.0	-72.15	383.49	6.74	-65.41
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C=C1)C(=O)[O-]	REAL300002729826	0	50	0.0	-75.84	404.22	8.42	-67.42
CC(NC(=O)C1=CC=C(NC(=O)C2([NH+](C)C)CCC2)C=C1)C(=O)[O-]	REAL300002729861	0	47	0.0	-79.83	357.41	6.37	-73.46
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CC1	REAL300002729884	0	49	0.0	-79.83	395.58	7.69	-72.14
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729886	0	53	0.0	-71.12	407.45	7.89	-63.23
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729886	1	53	0.0	-72.40	398.02	7.70	-64.70
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=CC=C2C[NH+](C)C)C=C1)C(=O)[O-]	REAL300002729887	0	50	0.0	-62.83	397.44	8.61	-54.22
CC[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CC1	REAL300002729889	0	55	0.0	-76.56	424.32	5.38	-71.18
CCN1CC[NH+](CCC(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)CC1	REAL300002729889	1	55	0.0	-77.61	425.16	5.54	-72.07
CC(C)[N@H+](C)CC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729890	0	46	0.0	-73.10	360.98	6.10	-67.00
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729890	1	46	0.0	-73.36	360.81	6.11	-67.25
CC(C)C(C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)[NH+]1CCCCC1	REAL300002729891	0	56	0.0	-69.43	411.81	8.84	-60.59
CC(NC(=O)C1=CC=C(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)C=C1)C(=O)[O-]	REAL300002729892	1	50	0.0	-72.32	401.28	8.38	-63.94
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002729899	1	51	0.0	-69.69	412.31	8.01	-61.68
CC(NC(=O)C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1)C(=O)[O-]	REAL300002729905	0	54	0.0	-75.62	402.75	8.00	-67.62
CC(NC(=O)C1=CC=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1)C(=O)[O-]	REAL300002729905	1	54	0.0	-72.90	411.92	8.29	-64.61
CC[N@H+](CC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)C1CC1	REAL300002729907	0	47	0.0	-73.28	372.64	6.90	-66.38
CC[N@@H+](CC(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)C1CC1	REAL300002729907	1	47	0.0	-71.69	371.04	6.70	-64.99
CC(NC(=O)C1=CC=C(NC(=O)C(C)[NH+]2CCCCCC2)C=C1)C(=O)[O-]	REAL300002729931	0	53	0.0	-72.34	397.38	7.66	-64.68
CC(NC(=O)C1=CC=C(NC(=O)[C@@H]2CCC[N@@H+]2C)C=C1)C(=O)[O-]	REAL300002729934	1	44	0.0	-74.68	346.71	5.42	-69.26
CC(NC(=O)C1=CC=C(NC(=O)[C@@H]2CCC[N@H+]2C)C=C1)C(=O)[O-]	REAL300002729934	1	44	0.0	-71.10	351.84	5.84	-65.26
CC(NC(=O)C1=CC=C(NC(=O)C[NH2+]C(C)(C)C)C=C1)C(=O)[O-]	REAL300002730002	0	46	0.0	-74.74	365.51	4.61	-70.13
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)O1	REAL300002730004	0	53	0.0	-77.57	425.92	8.10	-69.47
CC(NC(=O)C1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002730005	0	53	0.0	-75.41	418.20	8.18	-67.23
CC(NC(=O)C1=CC=C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002730007	1	50	0.0	-81.04	403.21	8.48	-72.56
CC(NC(=O)C1=CC=C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300002730007	1	50	0.0	-81.29	403.22	8.49	-72.80
CC(C)[C@@H](C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1)[NH+](C)C	REAL300002730017	0	49	0.0	-72.05	371.98	6.43	-65.62
CC(NC(=O)C1=CC=C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C=C1)C(=O)[O-]	REAL300002730060	1	46	0.0	-79.96	384.34	5.88	-74.08
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002730073	0	50	0.0	-69.90	385.20	6.88	-63.02
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002730073	1	50	0.0	-72.94	378.74	6.86	-66.08
CC(NC(=O)C1=CC=C(NC(=O)COC2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002730092	0	51	0.0	-80.06	406.49	6.91	-73.15
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1)C(=O)[O-]	REAL300002730096	0	54	0.0	-79.33	432.20	8.61	-70.72
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C1	REAL300002730250	0	53	0.0	-74.29	410.07	7.90	-66.39
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C1	REAL300002730250	1	53	0.0	-68.70	403.94	8.13	-60.57
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002730277	0	53	0.0	-71.78	410.42	8.03	-63.75
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)NC(C)C(=O)[O-])C=C1	REAL300002730277	1	53	0.0	-72.80	405.27	7.57	-65.23
CC(NC(=O)C1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002730278	1	51	0.0	-79.95	400.47	4.04	-75.91
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C1	REAL300002730475	0	53	0.0	-67.75	398.97	7.87	-59.88
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C1	REAL300002730475	1	53	0.0	-67.56	398.80	7.89	-59.67
CC(NC(=O)C1=CC=C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C=C1)C(=O)[O-]	REAL300002730476	0	47	0.0	-79.45	380.59	6.74	-72.71
CC(NC(=O)C1=CC=C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C=C1)C(=O)[O-]	REAL300002730476	1	47	0.0	-85.75	380.41	6.95	-78.80
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)N1	REAL300002730500	1	48	0.0	-70.58	397.10	6.15	-64.43
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C=C1)C(=O)[O-]	REAL300002730919	0	53	0.0	-76.51	426.88	9.23	-67.28
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C=C1)C(=O)[O-]	REAL300002730925	0	54	0.0	-81.19	434.18	8.19	-73.00
CC(NC(=O)C1=CC=C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C=C1)C(=O)[O-]	REAL300002731051	0	47	0.0	-74.91	376.25	6.63	-68.28
CC(NC(=O)C1=CC=C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C=C1)C(=O)[O-]	REAL300002731055	0	53	0.0	-70.27	398.77	7.59	-62.68
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C1	REAL300002731115	0	56	0.0	-69.36	418.44	8.76	-60.60
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C1	REAL300002731115	1	56	0.0	-69.36	418.44	8.76	-60.60
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C1	REAL300002731116	0	50	0.0	-68.29	382.27	7.42	-60.87
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C1	REAL300002731116	1	50	0.0	-68.29	382.27	7.42	-60.87
CC(NC(=O)C1=CC=C(NC(=O)C2CCC[N@H+](C)C2)C=C1)C(=O)[O-]	REAL300002731121	0	47	0.0	-75.26	371.07	6.51	-68.75
CC(NC(=O)C1=CC=C(NC(=O)C2CCC[N@@H+](C)C2)C=C1)C(=O)[O-]	REAL300002731121	1	47	0.0	-75.26	371.07	6.51	-68.75
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=C(CN(C)C)O2)C=C1)C(=O)[O-]	REAL300002731123	0	47	0.0	-80.38	390.64	6.74	-73.64
CC(NC(=O)C1=CC=C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C=C1)C(=O)[O-]	REAL300002731123	1	47	0.0	-80.38	390.64	6.74	-73.64
CC(NC(=O)C1=CC=C(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)C=C1)C(=O)[O-]	REAL300002731129	0	56	0.0	-75.88	416.40	8.02	-67.86
CC(NC(=O)C1=CC=C(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C=C1)C(=O)[O-]	REAL300002731129	1	56	0.0	-75.88	416.40	8.02	-67.86
CC(NC(=O)C1=CC=C(NC(=O)C23CC(C2)CN3C2CC2)C=C1)C(=O)[O-]	REAL300002731132	0	49	0.0	-73.11	384.60	7.59	-65.52
CC(NC(=O)C1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1)C(=O)[O-]	REAL300002731132	1	49	0.0	-74.29	390.54	7.45	-66.84
CC(NC(=O)C1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1)C(=O)[O-]	REAL300002731132	1	49	0.0	-74.29	390.54	7.45	-66.84
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002732138	0	56	0.0	-56.99	414.36	13.38	-43.61
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300002733421	0	50	0.0	-53.99	363.27	10.90	-43.09
CC1=[NH+]C=C2CCC(C(=O)N(CC3=CC=CC=C3)C(C)C(=O)[O-])CN12	REAL300002733447	1	48	0.0	-51.59	365.60	10.74	-40.85
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C(C)N1CC[NH+](C)CC1	REAL300002733514	1	51	0.0	-71.25	370.04	8.63	-62.62
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[C@@H]1CCCC[N@@H+]1C	REAL300002733548	0	46	0.0	-54.37	328.26	9.96	-44.41
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[C@@H]1CCCC[N@H+]1C	REAL300002733548	1	46	0.0	-37.80	340.50	9.90	-27.90
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002733588	0	59	0.0	-67.96	452.78	13.07	-54.89
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[NH+](C)CC1	REAL300002733621	0	46	0.0	-53.82	337.93	9.82	-44.00
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002733646	0	41	0.0	-63.26	333.57	11.61	-51.65
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300002733675	0	55	0.0	-26.00	363.56	11.25	-14.75
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300002733679	0	55	0.0	-54.08	397.15	11.95	-42.13
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300002733679	1	55	0.0	-53.19	397.15	11.95	-41.24
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[NH+](C)CC1	REAL300002733736	0	46	0.0	-53.82	337.93	9.82	-44.00
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002733739	0	49	0.0	-73.92	388.41	10.65	-63.27
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002733754	0	57	0.0	-51.83	400.08	10.79	-41.04
CC1=[NH+]C=CN1CCCC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002733783	1	47	0.0	-54.74	369.06	11.12	-43.62
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCCC[NH+]1CCOCC1	REAL300002733784	1	53	0.0	-63.37	396.98	9.92	-53.45
CC[N@H+](CC1=CC=C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C=C1)C(C)C	REAL300002733786	0	58	0.0	-67.44	422.78	12.90	-54.54
CC[N@@H+](CC1=CC=C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C=C1)C(C)C	REAL300002733786	1	58	0.0	-65.28	415.90	12.51	-52.77
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002733823	0	53	0.0	-35.31	402.98	12.72	-22.59
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002733823	1	53	0.0	-54.52	398.53	12.55	-41.97
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002733824	0	54	0.0	-80.87	394.88	12.58	-68.29
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002733852	0	57	0.0	-54.53	395.32	10.19	-44.34
CCC(C(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[NH+](CC)CC	REAL300002733856	0	51	0.0	-61.63	361.20	10.99	-50.64
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300002733858	0	52	0.0	-46.61	389.33	12.11	-34.50
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300002733858	1	52	0.0	-42.84	389.27	12.23	-30.61
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002733867	0	59	0.0	-65.31	436.36	15.17	-50.14
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002733867	1	59	0.0	-52.13	430.52	14.19	-37.94
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300002733880	0	48	0.0	-60.36	365.99	9.10	-51.26
CCC[NH+](CCC)CCCC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002733886	0	57	0.0	-75.57	421.02	13.11	-62.46
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@H+](C)CCO1	REAL300002733888	1	44	0.0	-79.01	329.86	8.66	-70.35
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@@H+](C)CCO1	REAL300002733888	1	44	0.0	-56.10	323.18	8.29	-47.81
CC(C)C1=[NH+]C=CN1CC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002733896	1	47	0.0	-47.17	364.76	11.05	-36.12
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002733911	0	53	0.0	-55.01	391.28	12.15	-42.86
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002733917	0	56	0.0	-49.44	415.76	13.20	-36.24
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1(C[NH+](C)C)CC1	REAL300002733923	0	46	0.0	-46.32	334.88	9.72	-36.60
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCCC[NH+](C)C	REAL300002733932	0	48	0.0	-78.59	368.83	11.38	-67.21
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002733942	1	57	0.0	-63.11	426.22	12.77	-50.34
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002733942	1	57	0.0	-65.69	432.92	12.80	-52.89
CC1=C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002733954	1	47	0.0	-76.25	374.90	10.55	-65.70
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002733957	0	56	0.0	-71.35	419.90	13.32	-58.03
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002733969	1	49	0.0	-74.61	380.79	10.80	-63.81
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300002733970	0	52	0.0	-74.03	396.45	12.06	-61.97
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300002734033	0	50	0.0	-57.08	369.15	8.67	-48.41
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300002734135	0	49	0.0	-65.36	382.65	10.36	-55.00
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300002734136	0	49	0.0	-54.07	369.65	9.33	-44.74
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300002734138	0	46	0.0	-64.04	331.42	10.24	-53.80
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300002734138	1	46	0.0	-66.12	335.02	10.07	-56.05
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CC[C@@H]1[C@@H](C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC[N@@H+]1C	REAL300002734142	0	49	0.0	-55.23	351.63	9.82	-45.41
CC[C@@H]1[C@@H](C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC[N@H+]1C	REAL300002734142	1	49	0.0	-69.51	360.47	11.15	-58.36
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300002734145	1	50	0.0	-67.11	379.22	9.36	-57.75
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300002734145	1	50	0.0	-62.40	374.15	9.22	-53.18
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@H+](C)CC(C)O1	REAL300002734152	1	47	0.0	-62.52	353.20	9.25	-53.27
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@@H+](C)CC(C)O1	REAL300002734152	1	47	0.0	-49.29	351.67	9.23	-40.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002734156	0	56	0.0	-73.65	427.48	14.25	-59.40
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002734156	1	56	0.0	-57.12	422.20	13.19	-43.93
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CC(C[NH+]1CCOCC1)C(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002734162	0	50	0.0	-54.19	370.16	8.91	-45.28
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002734163	0	57	0.0	-56.18	429.24	11.09	-45.09
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[NH+]1CCC(C)CC1	REAL300002734175	0	49	0.0	-47.79	362.23	10.78	-37.01
CC[N@@H+]1CCOC(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300002734188	1	47	0.0	-69.90	353.24	9.70	-60.20
CC[N@H+]1CCOC(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300002734188	1	47	0.0	-83.82	354.92	9.82	-74.00
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002734220	0	56	0.0	-49.53	399.47	11.91	-37.62
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002734220	1	56	0.0	-65.14	403.52	12.86	-52.28
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCC1CCC[N@@H+]1C	REAL300002734227	0	49	0.0	-59.35	360.64	10.32	-49.03
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCC1CCC[N@H+]1C	REAL300002734227	1	49	0.0	-57.90	366.38	10.83	-47.07
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300002734237	0	50	0.0	-59.56	362.85	11.46	-48.10
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC2CCCC[N@H+]21	REAL300002734237	1	50	0.0	-46.34	358.64	10.72	-35.62
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300002734249	0	58	0.0	-56.80	433.03	10.75	-46.05
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300002734336	1	47	0.0	-62.99	331.21	9.01	-53.98
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[NH+]1C(C)CCC1C	REAL300002734378	0	49	0.0	-59.70	359.12	10.96	-48.74
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CC(C)(CCNC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002743154	0	52	0.0	-68.25	406.80	9.91	-58.34
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CC(C)(CCNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002743210	1	49	0.0	-68.51	381.46	9.14	-59.37
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CC(C)(CCNC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300002743285	0	52	0.0	-59.15	367.59	8.15	-51.00
CC(C)(CCNC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300002743285	1	52	0.0	-60.59	362.81	8.30	-52.29
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CC(C)(CCNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002743331	0	49	0.0	-68.25	375.84	8.91	-59.34
CC(C)(CCNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002743331	1	49	0.0	-69.13	373.70	8.78	-60.35
CC(C)(CCNC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002743332	0	50	0.0	-74.59	370.55	8.02	-66.57
C[NH+]1CCN(C(C(=O)NCCC(C)(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002743353	1	54	0.0	-67.63	404.13	7.67	-59.96
CC(C)(CCNC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002743354	0	53	0.0	-68.07	367.46	6.27	-61.80
CC(C(=O)NCCC(C)(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002743357	0	48	0.0	-65.31	365.71	8.35	-56.96
CC(C(=O)NCCC(C)(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002743357	1	48	0.0	-65.34	365.50	8.35	-56.99
CC(C)(CCNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002743365	0	55	0.0	-64.52	407.55	10.62	-53.90
CC(C)(CCNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002743365	1	55	0.0	-71.22	413.81	10.43	-60.79
CCC[NH+](CCC)CCCC(=O)NCCC(C)(C)C(=O)[O-]	REAL300002743402	0	53	0.0	-69.05	388.81	8.32	-60.73
CC(C)(CCNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300002743403	1	53	0.0	-62.42	398.63	6.32	-56.10
CC[N@H+](C)C(C(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300002743404	0	48	0.0	-60.60	363.24	8.54	-52.06
CC[N@@H+](C)C(C(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300002743404	1	48	0.0	-60.87	363.25	8.52	-52.35
CC[NH+](CC)C(C(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC=C1	REAL300002743408	0	51	0.0	-61.17	372.40	8.66	-52.51
C[NH+](C)C(C(=O)NCCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002743411	1	45	0.0	-65.89	362.12	8.39	-57.50
CC(C)(CCNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002743425	0	49	0.0	-74.40	372.23	8.93	-65.47
CC(C)(CCNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002743432	0	52	0.0	-70.96	390.44	9.72	-61.24
CCN1CCC([NH+]2CCC(C(=O)NCCC(C)(C)C(=O)[O-])CC2)CC1	REAL300002743438	0	60	0.0	-70.00	425.59	7.33	-62.67
CC1C[NH+](CC2=CC=C(C(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC(C)O1	REAL300002743444	1	56	0.0	-77.43	423.72	8.75	-68.68
CC(C)(CCNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002743455	1	53	0.0	-76.85	397.69	8.86	-67.99
CC(C)(CCNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002743455	1	53	0.0	-75.36	405.06	8.91	-66.45
CC(C)(CCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002743469	0	52	0.0	-61.39	389.41	9.53	-51.86
CC(C)(CCNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002743469	1	52	0.0	-61.39	389.35	9.52	-51.87
CC1=C(C(=O)NCCC(C)(C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002743471	1	43	0.0	-76.80	344.90	6.23	-70.57
CC(C)(CCNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002743479	0	52	0.0	-74.81	390.13	9.68	-65.13
CC(C)(CCNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300002743490	1	45	0.0	-75.83	354.14	6.47	-69.36
C[NH+](C)CCC1=CC=C(C(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300002743491	0	48	0.0	-77.09	371.37	8.72	-68.37
CC(C)(CCNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002743498	1	50	0.0	-72.99	384.26	8.39	-64.60
CC(C)(CCNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002743498	1	50	0.0	-68.89	377.13	8.23	-60.66
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300002743503	0	59	0.0	-65.59	434.33	11.20	-54.39
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300002743503	1	59	0.0	-64.13	427.73	10.93	-53.20
CC(C(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002743511	0	58	0.0	-63.82	422.99	10.71	-53.11
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCC(C)(C)C(=O)[O-]	REAL300002743542	0	48	0.0	-69.08	369.28	8.80	-60.28
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCC(C)(C)C(=O)[O-]	REAL300002743542	1	48	0.0	-68.94	369.86	8.82	-60.12
COCCOCC[N@H+](C)CCC(=O)NCCC(C)(C)C(=O)[O-]	REAL300002743543	0	52	0.0	-68.58	398.28	4.98	-63.60
COCCOCC[N@@H+](C)CCC(=O)NCCC(C)(C)C(=O)[O-]	REAL300002743543	1	52	0.0	-69.32	398.90	5.01	-64.31
CC(C)(CCNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002743552	0	57	0.0	-73.37	425.02	8.52	-64.85
CC(C)(CCNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300002743553	1	51	0.0	-65.95	383.83	7.77	-58.18
CC(C)(CCNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300002743553	1	51	0.0	-66.89	374.94	7.64	-59.25
CC(C)(CCNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300002743554	1	51	0.0	-63.51	383.69	7.66	-55.85
CC(C)(CCNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300002743554	1	51	0.0	-64.95	374.85	7.62	-57.33
CC(C)[NH+]1CCN(CCC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300002743583	0	53	0.0	-67.39	386.08	5.56	-61.83
CC(C)N1CC[NH+](CCC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300002743583	1	53	0.0	-68.20	381.80	5.34	-62.86
CC(C)[NH+]1CCN(CCCC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300002743584	0	56	0.0	-67.21	407.58	6.36	-60.85
CC(C)N1CC[NH+](CCCC(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300002743584	1	56	0.0	-69.24	403.89	6.15	-63.09
CC1=CC=CC(N2CC[NH+](CCC(=O)NCCC(C)(C)C(=O)[O-])CC2)=C1	REAL300002743589	0	57	0.0	-72.34	424.93	8.38	-63.96
CC(C)(CCNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002743590	0	54	0.0	-72.26	403.53	7.72	-64.54
CC(C)(CCNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002743594	0	51	0.0	-71.41	386.81	7.81	-63.60
CC(C)(CCNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002743594	1	51	0.0	-67.68	379.84	7.91	-59.77
CC(C(=O)NCCC(C)(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002743598	1	49	0.0	-64.33	369.19	8.75	-55.58
CC(C(=O)NCCC(C)(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002743598	1	49	0.0	-63.91	366.18	8.90	-55.01
CCC(CC)C(C(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CCOCC1	REAL300002743611	1	55	0.0	-61.23	380.83	7.23	-54.00
CC(C)(CCNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002743625	0	52	0.0	-71.95	393.22	9.51	-62.44
CC(C)(CCNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002743625	1	52	0.0	-72.56	394.96	9.59	-62.97
CC(C)(CCNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002743650	0	52	0.0	-71.49	397.70	9.62	-61.87
CC(C)(CCNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002743650	1	52	0.0	-67.14	391.39	9.83	-57.31
CC(C)(CCNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300002743651	1	48	0.0	-61.38	365.36	6.90	-54.48
CC(C)(CCNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300002743651	1	48	0.0	-66.04	368.23	7.18	-58.86
CC(C)(CCNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002743653	0	53	0.0	-72.05	401.25	7.13	-64.92
CN1C=CN=C1C[NH+]1CCC(C(=O)NCCC(C)(C)C(=O)[O-])CC1	REAL300002743685	1	52	0.0	-76.81	387.67	7.81	-69.00
CC(C)(CCNC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002743686	0	52	0.0	-67.36	375.56	8.25	-59.11
CC(C)(CCNC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002743686	1	52	0.0	-65.37	376.25	8.33	-57.04
CC(C)(CCNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002743702	0	57	0.0	-73.84	423.79	8.42	-65.42
CC(C)(CCNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002743702	1	57	0.0	-69.92	422.52	8.50	-61.42
CC(C)(CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300002743706	0	49	0.0	-64.86	350.96	5.46	-59.40
CC(C)[N@@H+]1CCC(C(=O)NCCC(C)(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002743710	0	58	0.0	-69.57	420.63	8.11	-61.46
CC(C)[N@H+]1CCC(C(=O)NCCC(C)(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002743710	1	58	0.0	-68.95	412.86	7.61	-61.34
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCCC(C)(C)C(=O)[O-])C=N1	REAL300002743711	0	52	0.0	-72.87	378.64	6.52	-66.35
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCCC(C)(C)C(=O)[O-])C=N1	REAL300002743711	1	52	0.0	-77.05	387.11	6.76	-70.29
C[NH+]1CCN(CC2=CC=CC(C(=O)NCCC(C)(C)C(=O)[O-])=C2)CC1	REAL300002743716	0	54	0.0	-70.11	407.56	7.29	-62.82
C[NH+]1CCN(CC2=CC=C(C(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300002743717	0	54	0.0	-72.48	406.03	7.10	-65.38
CN1CC[NH+](CC2=CC=C(C(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300002743717	1	54	0.0	-75.55	406.95	7.17	-68.38
CC[NH+](CC)CCOC1=CC=C(C(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300002743718	0	55	0.0	-73.09	413.87	8.99	-64.10
CC(C)(CCNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002743793	0	56	0.0	-77.36	421.53	7.02	-70.34
CC(C)(CCNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002743795	0	52	0.0	-67.38	391.87	9.57	-57.81
CC(C)(CCNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002743795	1	52	0.0	-67.31	391.81	9.57	-57.74
CC(C)(CCNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002743850	0	50	0.0	-66.18	384.10	5.79	-60.39
CC(C)(CCNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002743850	1	50	0.0	-66.22	383.35	5.77	-60.45
C[NH+](C)CC1=C(C(=O)NCCC(C)(C)C(=O)[O-])OC2=CC=CC=C21	REAL300002743854	0	48	0.0	-65.23	376.04	8.22	-57.01
CC[NH+](CC)C(C(=O)NCCC(C)(C)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300002743856	0	54	0.0	-65.50	411.13	9.66	-55.84
CC(C)C(C(=O)NCCC(C)(C)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300002743881	1	55	0.0	-61.87	392.98	7.51	-54.36
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCCC(C)(C)C(=O)[O-])=CC=C1N2	REAL300002743904	1	50	0.0	-77.21	383.67	8.31	-68.90
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCCC(C)(C)C(=O)[O-])=CC=C1N2	REAL300002743904	1	50	0.0	-77.19	383.69	8.31	-68.88
CC[NH+](CC)CC1=CC=C(C(=O)NCCC(C)(C)C(=O)[O-])O1	REAL300002743954	0	48	0.0	-69.41	370.01	7.56	-61.85
CC1=CC=C(N2CCC(C(=O)NCCC(C)(C)C(=O)[O-])CC2)[NH+]=C1	REAL300002743956	1	51	0.0	-65.98	384.17	7.44	-58.54
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCCC(C)(C)C(=O)[O-])C=C2)CC1	REAL300002743959	0	57	0.0	-74.07	416.31	8.22	-65.85
CC(C)(CCNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002743968	1	40	0.0	-75.87	329.45	5.81	-70.06
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300002743999	0	52	0.0	-72.66	394.84	9.34	-63.32
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCCC(C)(C)C(=O)[O-]	REAL300002743999	1	52	0.0	-70.20	392.14	9.41	-60.79
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300002744015	0	53	0.0	-74.94	413.21	8.85	-66.09
CC(C)(CCNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002744031	0	49	0.0	-71.58	376.29	8.06	-63.52
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCCC(C)(C)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300002744057	0	51	0.0	-68.16	384.13	7.60	-60.56
CC(C)(C)[N@H+]1C[C@H](C(=O)NCCC(C)(C)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300002744057	1	51	0.0	-64.44	383.61	7.66	-56.78
CC(C)(CCNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002744258	0	53	0.0	-69.19	399.66	9.87	-59.32
CC(C)(CCNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002744258	1	53	0.0	-69.71	400.52	9.85	-59.86
CC(C)(CCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300002744287	1	52	0.0	-62.71	395.81	9.60	-53.11
CC(C)(CCNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300002744287	1	52	0.0	-64.53	385.75	9.44	-55.09
C[N@@H+]1CC(C(=O)NCCC(C)(C)C(=O)[O-])C(C(F)(F)F)C1	REAL300002744355	0	42	0.0	-73.80	335.01	6.10	-67.70
C[N@H+]1CC(C(=O)NCCC(C)(C)C(=O)[O-])C(C(F)(F)F)C1	REAL300002744355	1	42	0.0	-71.11	327.56	5.89	-65.22
C[NH+](C)CCC1=CC=CC(C(=O)NCCC(C)(C)C(=O)[O-])=C1	REAL300002744725	0	48	0.0	-73.88	371.37	8.71	-65.17
C[NH+](C)CCOC1=CC=C(C(=O)NCCC(C)(C)C(=O)[O-])C=C1	REAL300002744729	0	49	0.0	-74.42	378.08	7.65	-66.77
CC(C)(CCNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002744796	0	55	0.0	-68.78	409.85	10.31	-58.47
CC1C[N@H+](CC2=CC=C(C(=O)NCCC(C)(C)C(=O)[O-])C=C2)CCO1	REAL300002744798	1	53	0.0	-76.90	396.23	8.04	-68.86
CC1C[N@@H+](CC2=CC=C(C(=O)NCCC(C)(C)C(=O)[O-])C=C2)CCO1	REAL300002744798	1	53	0.0	-77.22	395.71	8.02	-69.20
CC(NC(=O)C1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002745817	0	47	0.0	-67.05	386.18	10.98	-56.07
CC1=[NH+]C=C2CCC(C(=O)NC(C)(C(=O)[O-])C3=CC=C(Cl)C(Cl)=C3)CN12	REAL300002745835	1	45	0.0	-56.57	379.92	10.65	-45.92
C[NH+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002745869	0	36	0.0	-54.56	312.31	7.84	-46.72
CC(C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)N1CC[NH+](C)CC1	REAL300002745870	1	48	0.0	-67.07	385.53	7.68	-59.39
C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002745893	0	43	0.0	-54.00	354.31	9.47	-44.53
C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002745893	1	43	0.0	-57.37	341.59	9.06	-48.31
C[NH+]1CCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300002745919	0	43	0.0	-70.36	356.92	9.57	-60.79
CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002745938	0	38	0.0	-67.78	342.46	11.44	-56.34
C[N@@H+]1CCCC1C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002745963	0	40	0.0	-57.44	332.56	8.38	-49.06
C[N@H+]1CCCC1C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002745963	1	40	0.0	-57.81	332.37	8.37	-49.44
C[NH+]1CCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300002745993	0	43	0.0	-70.36	356.92	9.57	-60.79
CC1=[NH+]C=CN1CCCC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746015	1	44	0.0	-64.66	383.28	10.82	-53.84
C[C@@H](C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)[NH+](C)C	REAL300002746018	0	39	0.0	-54.68	329.04	8.29	-46.39
C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746019	0	40	0.0	-48.60	328.25	8.19	-40.41
C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746019	1	40	0.0	-51.60	337.33	8.97	-42.63
C[C@H](C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)[NH+](C)C	REAL300002746022	0	39	0.0	-58.50	330.50	8.30	-50.20
CCC(C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)[NH+](CC)CC	REAL300002746071	0	48	0.0	-46.43	378.50	10.09	-36.34
C[NH+](C)CC1=CC=C(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C=N1	REAL300002746083	0	45	0.0	-76.86	386.26	9.95	-66.91
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746093	1	44	0.0	-53.53	375.57	10.52	-43.01
C[NH+](C)CC1(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300002746100	0	43	0.0	-64.95	362.21	9.58	-55.37
C[NH+](C)CCCCC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746104	0	45	0.0	-68.14	377.67	10.06	-58.08
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746125	1	42	0.0	-56.56	361.60	8.92	-47.64
CCC[N@H+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746129	0	42	0.0	-56.86	351.53	9.27	-47.59
CCC[N@@H+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746129	1	42	0.0	-56.93	351.54	9.26	-47.67
C[N@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)C1CCC1	REAL300002746140	0	43	0.0	-54.02	358.53	9.83	-44.19
C[N@@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)C1CCC1	REAL300002746140	1	43	0.0	-54.49	358.44	9.81	-44.68
C[N@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)CC(C)(C)C	REAL300002746152	0	48	0.0	-55.99	381.22	10.23	-45.76
C[N@@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)CC(C)(C)C	REAL300002746152	1	48	0.0	-56.77	381.74	10.31	-46.46
CC[C@@H](C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)[NH+](C)C	REAL300002746154	0	42	0.0	-51.80	342.72	8.80	-43.00
C[N@@H+]1CCCC(O)(CC(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300002746156	0	47	0.0	-64.40	379.75	7.94	-56.46
C[N@H+]1CCCC(O)(CC(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300002746156	1	47	0.0	-57.79	382.59	7.84	-49.95
CCCCCC[N@H+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746167	0	51	0.0	-57.80	416.03	11.61	-46.19
CCCCCC[N@@H+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746167	1	51	0.0	-54.23	416.04	11.59	-42.64
CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746176	1	38	0.0	-75.67	342.74	11.44	-64.23
C[N@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)C1CCSC1	REAL300002746180	0	44	0.0	-58.80	371.80	10.07	-48.73
C[N@@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)C1CCSC1	REAL300002746180	1	44	0.0	-60.36	371.59	10.09	-50.27
CC(NC(=O)C1CCCC2CCC[N@@H+]21)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746192	0	47	0.0	-47.38	376.86	10.70	-36.68
CC(NC(=O)C1CCCC2CCC[N@H+]21)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746192	1	47	0.0	-55.47	366.21	10.20	-45.27
C[NH+](C)CCN1C=C(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C=N1	REAL300002746193	0	46	0.0	-77.61	396.62	9.45	-68.16
C[NH+](C)CCN1C=CC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300002746211	0	46	0.0	-85.90	396.98	9.47	-76.43
C[NH+](C)CCN1N=CC=C1C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746212	0	46	0.0	-55.53	391.95	9.38	-46.15
C[C@@H]1[C@H](C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC[N@@H+]1C	REAL300002746214	0	43	0.0	-66.64	348.82	8.85	-57.79
C[C@@H]1[C@H](C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC[N@H+]1C	REAL300002746214	1	43	0.0	-57.12	348.02	9.18	-47.94
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746215	1	47	0.0	-59.42	398.25	11.04	-48.38
CC[C@@H]1[C@@H](C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC[N@@H+]1C	REAL300002746217	0	46	0.0	-60.99	369.23	9.56	-51.43
CC[C@@H]1[C@@H](C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC[N@H+]1C	REAL300002746217	1	46	0.0	-64.16	373.33	10.10	-54.06
CC1C[N@H+](C)CC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)O1	REAL300002746221	1	44	0.0	-77.65	364.14	8.72	-68.93
CC1C[N@@H+](C)CC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)O1	REAL300002746221	1	44	0.0	-79.44	363.62	8.32	-71.12
CC(NC(=O)C[NH+]1CCCC1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746226	0	40	0.0	-56.81	336.26	8.86	-47.95
CC1=[NH+]C=CN1CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746228	1	38	0.0	-53.65	341.74	9.56	-44.09
CC(C[NH+]1CCOCC1)C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746230	1	47	0.0	-60.56	383.62	8.64	-51.92
CC1CC[NH+](CC(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300002746247	0	46	0.0	-57.29	374.88	10.33	-46.96
CC[N@@H+]1CCOC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300002746253	1	44	0.0	-63.41	360.31	8.45	-54.96
CC[N@H+]1CCOC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300002746253	1	44	0.0	-48.36	358.18	8.47	-39.89
C[N@@H+]1CCCC1CCC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746273	0	46	0.0	-65.72	373.95	9.91	-55.81
C[N@H+]1CCCC1CCC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746273	1	46	0.0	-62.89	374.17	9.95	-52.94
CC(NC(=O)C1CCC2CCCC[N@@H+]21)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746281	0	47	0.0	-54.39	380.20	10.86	-43.53
CC(NC(=O)C1CCC2CCCC[N@H+]21)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746281	1	47	0.0	-52.96	373.00	10.26	-42.70
CC[NH+](CC)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746291	0	42	0.0	-52.95	348.62	9.14	-43.81
CC(C)[NH+]1CCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300002746293	0	49	0.0	-66.57	387.56	10.52	-56.05
CC(NC(=O)C12CC[NH+](CC1)C2)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746335	0	41	0.0	-64.72	343.92	8.45	-56.27
CCC(C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)[NH+](C)C	REAL300002746338	0	42	0.0	-53.83	342.36	8.78	-45.05
CC(NC(=O)C12CC[N@H+](C1)CCC2)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746343	0	44	0.0	-71.61	353.31	9.18	-62.43
CC(NC(=O)C12CC[N@@H+](C1)CCC2)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746343	1	44	0.0	-64.52	353.89	9.15	-55.37
CC1CCC(C)[NH+]1CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746367	0	46	0.0	-53.09	369.66	9.75	-43.34
C[NH+](C)CC1=CC=CC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)=C1	REAL300002746368	0	46	0.0	-71.73	390.45	11.43	-60.30
C#CC[NH+]1CCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300002746397	0	45	0.0	-70.83	381.60	10.72	-60.11
CC(C)[N@H+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746398	0	42	0.0	-54.13	346.73	9.03	-45.10
CC(C)[N@@H+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746398	1	42	0.0	-54.98	346.73	9.04	-45.94
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746402	1	47	0.0	-58.38	397.74	11.07	-47.31
CC[N@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)C1CC1	REAL300002746407	0	43	0.0	-54.92	358.66	9.82	-45.10
CC[N@@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)C1CC1	REAL300002746407	1	43	0.0	-55.04	358.67	9.86	-45.18
CC(C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)[NH+]1CCCCCC1	REAL300002746420	0	49	0.0	-55.56	376.79	10.44	-45.12
C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746423	0	40	0.0	-53.30	338.11	8.93	-44.37
C[N@H+]1CCC[C@H]1C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746423	1	40	0.0	-60.67	332.59	8.23	-52.44
CC(C)(C)[NH2+]CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746459	0	42	0.0	-51.81	351.26	7.65	-44.16
CC(NC(=O)CCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746460	0	49	0.0	-68.71	403.64	11.22	-57.49
C[N@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)CC1=CC=CC=C1	REAL300002746462	1	46	0.0	-60.26	388.97	11.43	-48.83
C[N@@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1)CC1=CC=CC=C1	REAL300002746462	1	46	0.0	-60.47	389.02	11.43	-49.04
C[NH+](C)CC1=CC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)=NO1	REAL300002746487	1	42	0.0	-76.31	370.38	8.93	-67.38
CC(C)[N@@H+]1CCCC1C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746496	0	46	0.0	-50.84	370.74	9.91	-40.93
CC(C)[N@H+]1CCCC1C(=O)NC(C)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746496	1	46	0.0	-55.74	359.74	9.88	-45.86
C[NH+]1CCC(OCC(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300002746506	0	47	0.0	-73.54	392.26	9.66	-63.88
CCC[N@@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300002746582	0	49	0.0	-63.63	396.05	10.93	-52.70
CCC[N@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300002746582	1	49	0.0	-61.92	396.04	10.93	-50.99
CC(NC(=O)C[NH+]1CCC(CO)CC1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002746593	1	47	0.0	-57.29	386.27	7.03	-50.26
CC(C)[N@@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300002746682	0	49	0.0	-62.17	391.19	10.70	-51.47
CC(C)[N@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300002746682	1	49	0.0	-50.11	382.08	10.74	-39.37
CC1=C(C)[NH+]=C(CCC(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)N1	REAL300002746695	1	44	0.0	-58.74	382.55	9.19	-49.55
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300002746972	0	43	0.0	-60.23	362.02	9.65	-50.58
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300002746976	0	49	0.0	-48.44	381.18	10.42	-38.02
CC1=[NH+]C=C2C=CC(C(=O)NC(C)(C(=O)[O-])C3=CC=C(Cl)C(Cl)=C3)=CN12	REAL300002746978	0	41	0.0	-64.41	363.88	11.21	-53.20
CC[N@@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300002747008	0	46	0.0	-54.40	368.28	10.32	-44.08
CC[N@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300002747008	1	46	0.0	-61.58	374.54	10.19	-51.39
C[N@@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300002747013	0	43	0.0	-54.77	350.66	9.66	-45.11
C[N@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)C1	REAL300002747013	1	43	0.0	-63.71	356.91	9.52	-54.19
C[NH+](C)CC1=CC=C(C(=O)NC(C)(C(=O)[O-])C2=CC=C(Cl)C(Cl)=C2)O1	REAL300002747015	1	43	0.0	-77.92	375.78	9.66	-68.26
CC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002747022	1	45	0.0	-54.97	369.24	10.50	-44.47
CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)(C(=O)[O-])C1=CC=C(Cl)C(Cl)=C1	REAL300002747022	1	45	0.0	-59.73	367.94	11.00	-48.73
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300002748608	0	57	0.0	-77.22	414.16	12.50	-64.72
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300002748631	0	54	0.0	-73.07	393.24	11.56	-61.51
O=C([O-])C1=CC=CC=C1CC1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300002748631	1	54	0.0	-67.50	391.99	11.78	-55.72
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COC1=CC=C(C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)C(=O)[O-])C=C1	REAL300002755091	1	53	0.0	-58.18	396.79	9.25	-48.93
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)C1	REAL300002755092	0	47	0.0	-64.48	364.28	7.53	-56.95
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C=C2)C1	REAL300002755092	1	47	0.0	-66.12	364.28	7.53	-58.59
COC1=CC=C(C(NC(=O)C2CCC[N@H+](C)C2)C(=O)[O-])C=C1	REAL300002755096	0	44	0.0	-66.15	346.43	6.95	-59.20
COC1=CC=C(C(NC(=O)C2CCC[N@@H+](C)C2)C(=O)[O-])C=C1	REAL300002755096	1	44	0.0	-66.73	346.64	6.89	-59.84
COC1=CC=C(C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C(=O)[O-])C=C1	REAL300002755098	1	44	0.0	-80.13	366.44	7.14	-72.99
COC1=CC=C(C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(=O)[O-])C=C1	REAL300002755106	1	46	0.0	-62.49	367.72	7.90	-54.59
COC1=CC=C(C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(=O)[O-])C=C1	REAL300002755106	1	46	0.0	-60.93	354.52	8.09	-52.84
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002756240	0	50	0.0	-70.17	387.96	10.51	-59.66
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300002756893	0	47	0.0	-53.51	369.10	9.70	-43.81
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300002756893	1	47	0.0	-58.17	372.54	10.09	-48.08
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1	REAL300002757800	0	44	0.0	-64.24	342.12	8.42	-55.82
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@@H+]2C2CC2)C1	REAL300002757827	0	41	0.0	-56.23	327.19	7.97	-48.26
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@H+]2C2CC2)C1	REAL300002757827	1	41	0.0	-55.28	320.72	7.44	-47.84
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)CN12	REAL300002757833	1	42	0.0	-61.93	336.89	8.14	-53.79
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300002757834	0	50	0.0	-62.11	382.53	9.99	-52.12
C[N@@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002757916	0	40	0.0	-57.51	312.09	7.17	-50.34
C[N@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002757916	1	40	0.0	-57.26	314.40	7.22	-50.04
CC(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)N1CC[NH+](C)CC1	REAL300002757917	1	45	0.0	-69.37	341.55	5.32	-64.05
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002757961	0	40	0.0	-50.48	313.31	7.18	-43.30
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002757961	1	40	0.0	-57.57	304.90	6.91	-50.66
CC1(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002758019	0	53	0.0	-52.40	396.68	10.72	-41.68
C[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300002758052	0	40	0.0	-63.18	316.91	7.19	-55.99
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C1	REAL300002758078	0	35	0.0	-63.27	307.57	9.04	-54.23
C[NH+](C)CC1(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CCCCC1	REAL300002758111	0	49	0.0	-70.74	345.86	8.84	-61.90
C[N@H+](CCC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1CCCCC1	REAL300002758116	0	49	0.0	-64.23	370.00	9.26	-54.97
C[N@@H+](CCC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1CCCCC1	REAL300002758116	1	49	0.0	-66.54	369.99	9.26	-57.28
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300002758133	1	47	0.0	-65.08	381.78	10.22	-54.86
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300002758133	1	47	0.0	-55.48	374.34	9.76	-45.72
C[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300002758187	0	40	0.0	-63.18	316.91	7.19	-55.99
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300002758192	0	43	0.0	-71.16	357.18	7.83	-63.33
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300002758215	0	50	0.0	-52.78	364.49	9.74	-43.04
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300002758215	1	50	0.0	-56.63	361.37	9.22	-47.41
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300002758216	0	51	0.0	-55.08	372.44	7.44	-47.64
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758249	1	41	0.0	-63.12	343.60	8.58	-54.54
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300002758250	1	47	0.0	-69.20	369.83	7.24	-61.96
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C=C1)C(C)C	REAL300002758253	0	52	0.0	-70.68	392.21	10.17	-60.51
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C=C1)C(C)C	REAL300002758253	1	52	0.0	-70.03	385.59	9.87	-60.16
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002758302	0	47	0.0	-67.41	372.44	9.99	-57.42
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002758302	1	47	0.0	-67.70	374.79	10.04	-57.66
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300002758303	0	48	0.0	-66.43	372.13	9.16	-57.27
C[NH+]1CCN(C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C2=CC=CC=C2)CC1	REAL300002758329	1	52	0.0	-70.86	402.13	8.75	-62.11
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300002758330	0	51	0.0	-63.56	370.66	7.56	-56.00
CCC(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[NH+](CC)CC	REAL300002758334	0	45	0.0	-54.61	337.54	7.87	-46.74
CC(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[N@H+](C)CC1=CC=CC=C1	REAL300002758336	0	46	0.0	-60.70	365.10	9.56	-51.14
CC(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002758336	1	46	0.0	-61.41	365.99	9.57	-51.84
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300002758348	0	53	0.0	-62.37	405.85	11.64	-50.73
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300002758348	1	53	0.0	-64.09	408.53	11.76	-52.33
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300002758370	0	42	0.0	-70.88	342.48	7.18	-63.70
CCC[NH+](CCC)CCCC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758379	0	51	0.0	-65.60	395.18	9.88	-55.72
CC[N@H+](C)C(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1=CC=CC=C1	REAL300002758380	0	46	0.0	-56.43	359.67	9.52	-46.91
CC[N@@H+](C)C(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1=CC=CC=C1	REAL300002758380	1	46	0.0	-55.77	358.61	9.47	-46.30
C[N@@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002758382	1	38	0.0	-72.80	298.71	5.78	-67.02
C[N@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002758382	1	38	0.0	-53.31	297.41	5.68	-47.63
CC[NH+](CC)C(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1=CC=CC=C1	REAL300002758385	0	49	0.0	-54.46	369.23	10.31	-44.15
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758394	1	41	0.0	-54.40	339.11	8.40	-46.00
C[NH+](C)C(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1=CC=C(Cl)C=C1	REAL300002758399	1	43	0.0	-61.81	358.59	9.37	-52.44
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300002758412	0	47	0.0	-73.04	370.97	9.85	-63.19
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300002758420	0	50	0.0	-68.73	388.60	10.56	-58.17
C[NH+](C)CC1(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300002758426	0	40	0.0	-52.76	320.20	7.20	-45.56
C[NH+](C)CCCCC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758435	0	42	0.0	-68.26	337.99	7.81	-60.45
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[NH+](C)C	REAL300002758444	0	42	0.0	-64.63	313.67	7.38	-57.25
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300002758457	0	50	0.0	-64.81	381.35	10.52	-54.29
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300002758457	1	50	0.0	-56.98	388.76	10.72	-46.26
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C=NN1C1=CC=[NH+]C=C1	REAL300002758459	1	41	0.0	-75.64	341.88	7.16	-68.48
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300002758467	0	50	0.0	-72.93	388.57	10.57	-62.36
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300002758481	1	43	0.0	-72.20	353.84	7.94	-64.26
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300002758482	0	46	0.0	-75.81	369.18	9.55	-66.26
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758494	1	39	0.0	-59.18	320.89	6.30	-52.88
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002758496	1	48	0.0	-60.52	383.28	9.57	-50.95
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002758496	1	48	0.0	-61.16	383.55	9.55	-51.61
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1CCC1	REAL300002758527	0	40	0.0	-56.51	317.68	7.59	-48.92
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1CCC1	REAL300002758527	1	40	0.0	-57.52	318.80	7.62	-49.90
CC(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[NH+]1CCSCC1	REAL300002758551	1	41	0.0	-58.60	329.91	7.55	-51.05
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)CC(C)(C)C	REAL300002758557	0	45	0.0	-58.77	339.42	8.02	-50.75
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)CC(C)(C)C	REAL300002758557	1	45	0.0	-58.98	341.34	8.17	-50.81
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758559	0	46	0.0	-62.95	370.70	10.05	-52.90
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758559	1	46	0.0	-63.56	371.76	10.07	-53.49
COCCOCC[N@H+](C)CCC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758560	0	50	0.0	-64.52	399.71	6.27	-58.25
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758560	1	50	0.0	-66.71	400.81	6.31	-60.40
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002758565	0	44	0.0	-62.98	339.02	6.11	-56.87
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002758565	1	44	0.0	-61.13	344.17	6.08	-55.05
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300002758586	1	49	0.0	-69.43	376.31	8.76	-60.67
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300002758586	1	49	0.0	-63.08	378.02	8.75	-54.33
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300002758587	1	49	0.0	-59.16	384.74	8.90	-50.26
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300002758587	1	49	0.0	-65.54	384.06	8.97	-56.57
CCCCCC[N@H+](C)CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758589	0	48	0.0	-60.68	375.30	9.36	-51.32
CCCCCC[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758589	1	48	0.0	-58.26	377.30	9.44	-48.82
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C23CCC[NH+]2CCC3)C1	REAL300002758599	0	41	0.0	-59.17	310.99	7.10	-52.07
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C1	REAL300002758607	1	35	0.0	-68.81	307.68	9.05	-59.76
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1CCSC1	REAL300002758623	0	41	0.0	-62.97	330.93	7.87	-55.10
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1CCSC1	REAL300002758623	1	41	0.0	-64.79	330.90	7.85	-56.94
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300002758640	0	51	0.0	-63.54	386.93	6.81	-56.73
CC(C)N1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300002758640	1	51	0.0	-63.67	383.41	6.63	-57.04
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300002758641	0	54	0.0	-64.52	408.42	7.63	-56.89
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300002758641	1	54	0.0	-66.73	406.29	7.48	-59.25
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCCC3CCC[N@@H+]32)C1	REAL300002758642	0	44	0.0	-54.38	326.38	7.97	-46.41
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCCC3CCC[N@H+]32)C1	REAL300002758642	1	44	0.0	-48.76	338.32	8.33	-40.43
C[NH+](C)CCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300002758644	0	43	0.0	-73.94	351.25	6.76	-67.18
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300002758653	0	52	0.0	-68.07	404.36	9.00	-59.07
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300002758656	0	49	0.0	-64.72	389.78	9.00	-55.72
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300002758656	1	49	0.0	-57.26	387.07	9.11	-48.15
CC(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002758661	0	47	0.0	-62.08	363.51	9.92	-52.16
CC(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002758661	1	47	0.0	-59.72	370.11	9.99	-49.73
CCC(CC)C(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[NH+]1CCOCC1	REAL300002758678	1	53	0.0	-50.73	378.98	7.52	-43.21
CCCC(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[NH+](C)C	REAL300002758682	0	42	0.0	-61.37	323.14	7.44	-53.93
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002758684	0	50	0.0	-69.74	398.69	10.91	-58.83
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002758684	1	50	0.0	-73.61	397.75	10.95	-62.66
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=N1	REAL300002758699	0	43	0.0	-75.40	354.34	7.37	-68.03
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758700	0	43	0.0	-54.42	346.05	6.77	-47.65
C[C@@H]1[C@H](C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC[N@@H+]1C	REAL300002758706	0	40	0.0	-71.27	308.12	7.01	-64.26
C[C@@H]1[C@H](C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC[N@H+]1C	REAL300002758706	1	40	0.0	-72.93	313.73	6.90	-66.03
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758708	1	44	0.0	-58.21	358.58	8.89	-49.32
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC[N@@H+]1C	REAL300002758711	0	43	0.0	-64.26	326.40	7.17	-57.09
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC[N@H+]1C	REAL300002758711	1	43	0.0	-67.13	329.75	7.67	-59.46
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=NN1	REAL300002758714	1	44	0.0	-72.25	355.47	6.92	-65.33
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=NN1	REAL300002758714	1	44	0.0	-77.05	354.60	6.93	-70.12
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758715	1	39	0.0	-49.81	317.45	7.53	-42.28
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758715	1	39	0.0	-50.46	324.90	7.77	-42.69
CC1C[N@H+](C)CC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)O1	REAL300002758723	1	41	0.0	-75.48	319.87	6.30	-69.18
CC1C[N@@H+](C)CC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)O1	REAL300002758723	1	41	0.0	-59.62	327.17	6.71	-52.91
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300002758729	1	46	0.0	-52.55	365.88	8.10	-44.45
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300002758729	1	46	0.0	-54.28	363.71	7.87	-46.41
CC1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758733	1	35	0.0	-56.33	299.95	7.19	-49.14
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758735	0	44	0.0	-68.08	342.90	6.25	-61.83
CC1CC[NH+](CC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300002758750	0	43	0.0	-61.47	334.17	8.13	-53.34
CC[N@@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002758763	1	41	0.0	-53.87	316.24	6.37	-47.50
CC[N@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002758763	1	41	0.0	-55.35	316.09	6.43	-48.92
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300002758802	0	50	0.0	-61.16	376.06	9.45	-51.71
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300002758802	1	50	0.0	-62.69	372.60	9.38	-53.31
C[N@@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758809	0	43	0.0	-63.68	337.70	8.08	-55.60
C[N@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758809	1	43	0.0	-68.35	336.01	8.05	-60.30
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1	REAL300002758822	0	44	0.0	-65.42	320.36	7.33	-58.09
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758824	0	41	0.0	-54.41	311.13	3.41	-51.00
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758824	1	41	0.0	-58.77	311.57	3.05	-55.72
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC3CCCC[N@@H+]32)C1	REAL300002758825	0	44	0.0	-61.69	332.64	8.13	-53.56
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC3CCCC[N@H+]32)C1	REAL300002758825	1	44	0.0	-52.66	338.14	8.47	-44.19
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758832	0	47	0.0	-58.28	342.02	6.14	-52.14
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300002758837	0	50	0.0	-79.16	390.41	7.91	-71.25
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C=N1	REAL300002758837	1	50	0.0	-65.84	377.43	7.53	-58.31
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)=C2)CC1	REAL300002758841	0	52	0.0	-65.58	405.93	8.13	-57.45
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)C=C2)CC1	REAL300002758842	0	52	0.0	-67.74	404.15	8.10	-59.64
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)C=C2)CC1	REAL300002758842	1	52	0.0	-74.12	404.76	8.01	-66.11
CC(C)[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300002758851	0	46	0.0	-63.71	346.08	8.18	-55.53
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C23CC[NH+](CC2)C3)C1	REAL300002758932	0	38	0.0	-69.84	296.21	5.91	-63.93
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C23CC[N@H+](C2)CCC3)C1	REAL300002758942	0	41	0.0	-70.84	304.97	6.53	-64.31
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C23CC[N@@H+](C2)CCC3)C1	REAL300002758942	1	41	0.0	-71.95	305.28	6.48	-65.47
CC1CCC(C)[NH+]1CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002758991	0	43	0.0	-55.78	329.02	7.50	-48.28
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300002758992	0	43	0.0	-68.76	344.38	8.64	-60.12
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002758993	0	50	0.0	-59.15	393.13	10.88	-48.27
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002758993	1	50	0.0	-57.92	383.76	10.59	-47.33
C[NH+](C)C1(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CCC1	REAL300002759033	0	40	0.0	-61.92	299.66	6.48	-55.44
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300002759066	0	42	0.0	-68.17	336.43	8.14	-60.03
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002759068	0	46	0.0	-61.08	351.71	8.59	-52.49
CCC[N@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002759068	1	46	0.0	-56.03	353.75	8.62	-47.41
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002759069	0	43	0.0	-43.82	344.19	8.76	-35.06
CC[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300002759071	0	48	0.0	-65.15	369.69	6.26	-58.89
CCN1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300002759071	1	48	0.0	-66.53	370.20	6.34	-60.19
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[NH+]1CCCCC1	REAL300002759073	0	49	0.0	-52.69	359.32	9.32	-43.37
C[NH+](C)C(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1=CC=CC=C1	REAL300002759074	1	43	0.0	-60.91	343.88	8.91	-52.00
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002759078	0	48	0.0	-58.77	382.69	7.09	-51.68
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002759078	1	48	0.0	-64.72	385.24	7.12	-57.60
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002759084	1	44	0.0	-57.35	358.03	8.83	-48.52
C[NH+](C)CC1=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)OC2=CC=CC=C21	REAL300002759085	0	46	0.0	-55.53	368.41	9.51	-46.02
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300002759090	0	47	0.0	-56.74	352.83	9.05	-47.69
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300002759090	1	47	0.0	-62.58	357.11	9.00	-53.58
CC[N@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1CC1	REAL300002759092	0	40	0.0	-55.27	320.17	7.65	-47.62
CC[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C1CC1	REAL300002759092	1	40	0.0	-60.69	312.93	7.55	-53.14
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[NH+]1CC(C)OC(C)C1	REAL300002759121	1	53	0.0	-52.91	382.91	7.69	-45.22
CC(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[NH+]1CCCCCC1	REAL300002759122	0	46	0.0	-53.48	339.31	7.90	-45.58
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)=CC=C1N2	REAL300002759164	1	48	0.0	-71.63	381.45	9.13	-62.50
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)=CC=C1N2	REAL300002759164	1	48	0.0	-77.49	379.35	9.03	-68.46
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)O1	REAL300002759215	0	46	0.0	-72.79	364.32	8.62	-64.17
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300002759216	0	46	0.0	-66.71	363.95	8.99	-57.72
CC1=CC=C(N2CCC(C(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)CC2)[NH+]=C1	REAL300002759218	1	49	0.0	-63.64	381.21	8.41	-55.23
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)CC1=CC=CC=C1	REAL300002759219	1	43	0.0	-60.13	350.12	9.28	-50.85
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)CC1=CC=CC=C1	REAL300002759219	1	43	0.0	-63.10	348.29	9.20	-53.90
CC(C)[C@@H](C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)[NH+](C)C	REAL300002759230	0	42	0.0	-60.81	307.03	7.30	-53.51
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300002759248	1	38	0.0	-71.74	326.82	6.71	-65.03
C[NH+](C)CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=NO1	REAL300002759278	1	39	0.0	-76.69	326.46	6.86	-69.83
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002759282	0	50	0.0	-63.79	392.89	10.42	-53.37
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002759282	1	50	0.0	-66.32	391.64	10.71	-55.61
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002759298	0	43	0.0	-62.75	322.23	7.92	-54.83
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002759298	1	43	0.0	-49.17	316.22	7.91	-41.26
C[NH+]1CCC(OCC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300002759324	0	44	0.0	-75.83	352.28	7.83	-68.00
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300002759329	0	47	0.0	-73.92	373.55	9.30	-64.62
CCC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002759523	0	46	0.0	-60.40	355.43	8.52	-51.88
CCC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002759523	1	46	0.0	-55.84	345.83	8.56	-47.28
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002759555	0	46	0.0	-58.91	345.51	8.90	-50.01
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300002759555	1	46	0.0	-53.54	345.66	7.92	-45.62
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300002759556	0	44	0.0	-62.13	345.00	4.82	-57.31
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300002759663	0	51	0.0	-79.62	396.64	10.94	-68.68
O=C([O-])C1(C(F)(F)F)CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300002759663	1	51	0.0	-72.70	398.36	10.85	-61.85
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002759794	0	46	0.0	-61.62	347.24	8.15	-53.47
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002759794	1	46	0.0	-57.69	352.54	8.37	-49.32
C[N@@H+]1CC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C(C(F)(F)F)C1	REAL300002759795	0	40	0.0	-59.43	331.58	7.20	-52.23
C[N@H+]1CC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C(C(F)(F)F)C1	REAL300002759795	1	40	0.0	-60.19	325.33	6.89	-53.30
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)N1	REAL300002759821	1	41	0.0	-57.90	342.73	6.98	-50.92
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)=C1	REAL300002760318	0	46	0.0	-85.81	368.64	9.58	-76.23
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C=C1	REAL300002760325	0	47	0.0	-73.80	375.88	8.48	-65.32
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002760422	0	53	0.0	-68.29	412.38	11.62	-56.67
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002760468	0	40	0.0	-71.38	321.37	7.39	-63.99
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)CC1	REAL300002760472	0	46	0.0	-58.11	342.99	8.34	-49.77
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C(=O)[O-])(C(F)(F)F)C3)=CN12	REAL300002760476	0	38	0.0	-59.32	329.00	8.81	-50.51
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002760542	0	49	0.0	-66.18	369.67	9.14	-57.04
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002760542	1	49	0.0	-58.96	372.45	9.38	-49.58
CC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002760543	0	43	0.0	-54.75	323.95	7.61	-47.14
CC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002760543	1	43	0.0	-50.11	325.20	7.86	-42.25
C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002760547	0	40	0.0	-59.48	316.80	7.14	-52.34
C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002760547	1	40	0.0	-54.23	305.66	6.97	-47.26
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)O1	REAL300002760549	1	40	0.0	-74.71	331.96	7.43	-67.28
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002760555	0	49	0.0	-76.68	349.24	7.74	-68.94
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)C2)C1	REAL300002760555	1	49	0.0	-71.97	354.35	8.28	-63.69
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C1	REAL300002760558	1	42	0.0	-60.27	323.49	8.41	-51.86
C=CCOCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002761880	0	51	0.0	-75.48	403.71	8.90	-66.58
C=CCOCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002762657	0	48	0.0	-54.11	380.86	7.81	-46.30
C=CCOCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002762657	1	48	0.0	-59.95	380.66	7.84	-52.11
C=CCOCC(NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C(=O)[O-]	REAL300002763551	1	43	0.0	-63.75	351.25	6.48	-57.27
C=CCOCC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300002763552	0	51	0.0	-64.83	406.30	8.87	-55.96
C=CCOCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300002763617	1	50	0.0	-75.56	411.58	6.67	-68.89
C=CCOCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002763695	0	54	0.0	-80.32	437.11	8.42	-71.90
C=CCOCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002763709	0	54	0.0	-80.86	437.90	10.76	-70.10
C=CCOCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002763709	1	54	0.0	-79.88	437.77	10.81	-69.07
C=CCOCC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002763710	0	54	0.0	-56.75	416.79	9.32	-47.43
C=CCOCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300002763793	0	50	0.0	-77.34	367.61	7.34	-70.00
C=CCOCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002763796	0	50	0.0	-67.15	381.45	7.25	-59.90
C=CCOCC(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002763796	1	50	0.0	-65.72	380.96	7.29	-58.43
C=CCOCC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002763821	1	48	0.0	-54.42	386.27	7.88	-46.54
C=CCOCC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002763821	1	48	0.0	-61.53	392.19	8.29	-53.24
C=CCOCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002763875	0	44	0.0	-80.31	372.19	6.32	-73.99
C=CCOCC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300002763880	0	54	0.0	-83.63	436.32	8.42	-75.21
C=CCOCC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300002763906	0	51	0.0	-57.64	379.77	7.50	-50.14
C=CCOCC(NC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300002763906	1	51	0.0	-56.93	375.23	7.62	-49.31
C=CCOCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002763907	0	52	0.0	-79.25	394.76	5.95	-73.30
C=CCOCC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300002763935	1	48	0.0	-74.69	380.82	5.28	-69.41
C=CCOCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002763937	0	53	0.0	-77.99	409.25	8.80	-69.19
C=CCOCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002763937	1	53	0.0	-78.23	400.05	8.37	-69.86
C=CCOCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002763961	0	48	0.0	-68.33	386.23	8.05	-60.28
C=CCOCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002763961	1	48	0.0	-67.15	386.19	8.06	-59.09
C=CCOCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002763962	0	49	0.0	-74.31	382.86	7.31	-67.00
C=CCOCC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300002763985	1	53	0.0	-65.97	416.44	6.98	-58.99
C=CCOCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002763986	0	52	0.0	-69.61	380.22	5.62	-63.99
C=CCOCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002763989	0	47	0.0	-59.26	378.03	7.65	-51.61
C=CCOCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002763989	1	47	0.0	-57.39	377.34	7.68	-49.71
C=CCOCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002763999	0	54	0.0	-58.38	419.63	9.97	-48.41
C=CCOCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002763999	1	54	0.0	-72.88	426.68	9.73	-63.15
C=CCOCC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300002764030	0	43	0.0	-77.04	356.50	5.32	-71.72
C=CCOCC(NC(=O)CCC[NH+](CCC)CCC)C(=O)[O-]	REAL300002764041	0	52	0.0	-68.76	405.12	7.90	-60.86
C=CCOCC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300002764042	1	52	0.0	-59.83	410.46	5.63	-54.20
C=CCOCC(NC(=O)C(C1=CC=CC=C1)[N@@H+](C)CC)C(=O)[O-]	REAL300002764043	0	47	0.0	-54.69	366.67	7.49	-47.20
C=CCOCC(NC(=O)C(C1=CC=CC=C1)[N@H+](C)CC)C(=O)[O-]	REAL300002764043	1	47	0.0	-52.05	375.07	7.84	-44.21
C=CCOCC(NC(=O)C(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300002764048	0	50	0.0	-62.49	381.74	8.01	-54.48
C=CCOCC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300002764054	1	44	0.0	-62.96	374.30	7.73	-55.23
C=CCOCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002764068	0	48	0.0	-81.47	385.12	8.25	-73.22
C=CCOCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002764075	0	51	0.0	-75.36	402.62	9.07	-66.29
C=CCOCC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300002764081	0	59	0.0	-71.36	437.77	6.66	-64.70
C=CCOCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300002764088	1	55	0.0	-85.76	436.03	8.06	-77.70
C=CCOCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002764097	1	52	0.0	-79.84	410.46	8.19	-71.65
C=CCOCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002764097	1	52	0.0	-78.63	410.46	8.19	-70.44
C=CCOCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002764111	0	51	0.0	-54.39	401.72	8.84	-45.55
C=CCOCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002764111	1	51	0.0	-54.82	392.10	8.70	-46.12
C=CCOCC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002764113	1	42	0.0	-80.64	358.66	5.61	-75.03
C=CCOCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002764121	0	51	0.0	-82.42	402.45	8.98	-73.44
C=CCOCC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300002764133	1	44	0.0	-80.26	366.31	5.82	-74.44
C=CCOCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002764134	0	47	0.0	-87.03	383.68	8.02	-79.01
C=CCOCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002764142	1	49	0.0	-72.91	389.52	7.56	-65.35
C=CCOCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002764142	1	49	0.0	-74.13	389.97	7.58	-66.55
C=CCOCC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300002764148	0	58	0.0	-67.95	447.09	10.55	-57.40
C=CCOCC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300002764148	1	58	0.0	-65.47	439.91	10.27	-55.20
C=CCOCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002764156	0	57	0.0	-58.17	435.89	10.03	-48.14
C=CCOCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002764195	0	47	0.0	-62.88	382.17	8.12	-54.76
C=CCOCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002764195	1	47	0.0	-62.87	382.04	8.16	-54.71
C=CCOCC(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300002764196	0	51	0.0	-66.48	411.04	4.33	-62.15
C=CCOCC(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300002764196	1	51	0.0	-67.31	411.23	4.30	-63.01
C=CCOCC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300002764199	0	45	0.0	-58.82	343.16	3.84	-54.98
C=CCOCC(NC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300002764199	1	45	0.0	-68.56	340.29	3.93	-64.63
C=CCOCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002764207	0	56	0.0	-73.38	436.85	7.83	-65.55
C=CCOCC(NC(=O)C[N@@H+](C)CCCCCC)C(=O)[O-]	REAL300002764210	0	49	0.0	-61.11	386.63	7.47	-53.64
C=CCOCC(NC(=O)C[N@H+](C)CCCCCC)C(=O)[O-]	REAL300002764210	1	49	0.0	-60.16	386.28	7.44	-52.72
C=CCOCC(NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300002764234	0	42	0.0	-64.49	343.76	5.91	-58.58
C=CCOCC(NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300002764234	1	42	0.0	-65.30	342.38	5.90	-59.40
C=CCOCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002764245	0	52	0.0	-73.24	398.39	4.85	-68.39
C=CCOCC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002764245	1	52	0.0	-66.37	394.71	4.64	-61.73
C=CCOCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002764246	0	55	0.0	-72.10	419.89	5.65	-66.45
C=CCOCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002764246	1	55	0.0	-69.24	415.72	5.45	-63.79
C=CCOCC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300002764248	0	44	0.0	-79.88	366.85	5.18	-74.70
C=CCOCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300002764253	0	56	0.0	-70.04	437.24	7.67	-62.37
C=CCOCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002764255	0	53	0.0	-69.71	415.84	7.01	-62.70
C=CCOCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002764259	0	50	0.0	-68.91	392.85	7.30	-61.61
C=CCOCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002764259	1	50	0.0	-64.73	392.76	7.22	-57.51
C=CCOCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002764264	1	48	0.0	-58.56	378.33	8.23	-50.33
C=CCOCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002764264	1	48	0.0	-59.76	378.49	8.19	-51.57
C=CCOCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002764292	0	51	0.0	-75.16	408.09	8.90	-66.26
C=CCOCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002764292	1	51	0.0	-72.73	405.50	8.86	-63.87
C=CCOCC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002764304	0	44	0.0	-85.52	367.23	5.20	-80.32
C=CCOCC(NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300002764305	0	44	0.0	-62.68	362.47	5.23	-57.45
C=CCOCC(NC(=O)CC(C)N1C=C[NH+]=C1CC)C(=O)[O-]	REAL300002764310	1	45	0.0	-62.76	368.86	6.93	-55.83
C=CCOCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002764324	0	51	0.0	-68.50	404.33	9.14	-59.36
C=CCOCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002764324	1	51	0.0	-71.26	410.56	8.93	-62.33
C=CCOCC(NC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300002764329	0	45	0.0	-66.12	353.87	4.42	-61.70
C=CCOCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002764330	0	52	0.0	-68.53	413.08	6.44	-62.09
C=CCOCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002764376	1	51	0.0	-80.82	400.45	7.15	-73.67
C=CCOCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002764377	0	51	0.0	-62.78	388.58	7.61	-55.17
C=CCOCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002764377	1	51	0.0	-67.47	388.37	7.55	-59.92
C=CCOCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002764397	0	56	0.0	-76.47	432.16	7.51	-68.96
C=CCOCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002764397	1	56	0.0	-74.50	434.49	7.57	-66.93
C=CCOCC(NC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300002764404	0	48	0.0	-56.62	362.53	4.76	-51.86
C=CCOCC(NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002764407	0	57	0.0	-74.58	432.94	7.42	-67.16
C=CCOCC(NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002764407	1	57	0.0	-62.22	425.82	6.93	-55.29
C=CCOCC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002764408	0	51	0.0	-68.69	388.50	5.75	-62.94
C=CCOCC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002764408	1	51	0.0	-76.20	407.05	6.50	-69.70
C=CCOCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300002764414	0	53	0.0	-77.05	419.88	6.60	-70.45
C=CCOCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002764415	0	53	0.0	-79.75	418.93	6.42	-73.33
C=CCOCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300002764415	1	53	0.0	-82.58	418.79	6.49	-76.09
C=CCOCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300002764416	0	54	0.0	-81.34	426.19	8.31	-73.03
C=CCOCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002764518	0	55	0.0	-85.40	433.94	6.35	-79.05
C=CCOCC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300002764522	0	44	0.0	-78.47	361.11	7.22	-71.25
C=CCOCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002764523	0	51	0.0	-65.87	404.19	8.86	-57.01
C=CCOCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002764523	1	51	0.0	-67.32	404.11	8.86	-58.46
C=CCOCC(NC(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300002764579	0	44	0.0	-49.80	353.99	7.48	-42.32
C=CCOCC(NC(=O)CCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300002764581	0	49	0.0	-73.07	380.49	4.18	-68.89
C=CCOCC(NC(=O)CC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300002764581	1	49	0.0	-65.91	381.65	4.32	-61.59
C=CCOCC(NC(=O)C(C(C)C)[NH+]1CCCCC1)C(=O)[O-]	REAL300002764584	0	50	0.0	-52.88	372.08	7.14	-45.74
C=CCOCC(NC(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300002764585	1	44	0.0	-54.11	357.74	7.17	-46.94
C=CCOCC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002764589	0	49	0.0	-64.36	395.54	5.17	-59.19
C=CCOCC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002764589	1	49	0.0	-66.07	396.37	5.15	-60.92
C=CCOCC(NC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300002764594	1	45	0.0	-62.35	368.47	6.83	-55.52
C=CCOCC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300002764595	0	47	0.0	-57.60	388.37	7.52	-50.08
C=CCOCC(NC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300002764599	0	48	0.0	-58.73	365.52	7.24	-51.49
C=CCOCC(NC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300002764599	1	48	0.0	-59.26	368.76	7.09	-52.17
C=CCOCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002764650	1	49	0.0	-82.98	395.50	7.62	-75.36
C=CCOCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002764650	1	49	0.0	-83.81	396.06	7.63	-76.18
C=CCOCC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300002764703	0	47	0.0	-74.67	383.39	6.86	-67.81
C=CCOCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300002764704	1	50	0.0	-72.68	396.94	6.80	-65.88
C=CCOCC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002764705	1	44	0.0	-62.00	359.21	7.28	-54.72
C=CCOCC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002764705	1	44	0.0	-62.92	359.57	7.31	-55.61
C=CCOCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300002764708	0	56	0.0	-83.40	429.07	7.59	-75.81
C=CCOCC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002764719	1	39	0.0	-79.17	342.34	5.12	-74.05
C=CCOCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002764753	0	51	0.0	-71.30	407.61	8.70	-62.60
C=CCOCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002764753	1	51	0.0	-70.21	404.49	8.77	-61.44
C=CCOCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002764771	0	52	0.0	-84.62	425.52	8.14	-76.48
C=CCOCC(NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300002764786	0	45	0.0	-79.51	362.86	5.81	-73.70
C=CCOCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002764790	0	48	0.0	-76.15	387.62	7.28	-68.87
C=CCOCC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002764821	0	50	0.0	-72.43	397.04	6.86	-65.57
C=CCOCC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002764821	1	50	0.0	-67.79	395.52	7.01	-60.78
C=CCOCC(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300002764981	1	45	0.0	-60.46	356.83	2.86	-57.60
C=CCOCC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002765066	0	52	0.0	-78.18	411.53	9.14	-69.04
C=CCOCC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002765066	1	52	0.0	-76.79	412.31	9.21	-67.58
C=CCOCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002765181	0	41	0.0	-65.50	346.98	5.42	-60.08
C=CCOCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002765181	1	41	0.0	-68.25	347.34	5.41	-62.84
C=CCOCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300002765614	0	47	0.0	-81.05	383.55	8.06	-72.99
C=CCOCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002765620	0	48	0.0	-82.71	390.98	6.97	-75.74
C=CCOCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002765699	0	54	0.0	-68.01	422.75	9.62	-58.39
C=CCOCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002765701	1	52	0.0	-86.00	408.42	7.39	-78.61
C=CCOCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002765701	1	52	0.0	-84.20	408.60	7.35	-76.85
C=CCOCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300002765785	0	50	0.0	-67.11	384.34	7.43	-59.68
C=CCOCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300002765785	1	50	0.0	-67.11	384.34	7.43	-59.68
C=CCOCC(NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300002765793	0	50	0.0	-77.28	365.26	6.41	-70.87
C=CCOCC(NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300002765793	1	50	0.0	-77.28	365.26	6.41	-70.87
O=C([O-])C(CC(F)F)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002767106	0	46	0.0	-73.70	369.34	9.40	-64.30
O=C([O-])C(CC(F)F)NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300002767883	0	43	0.0	-59.91	346.60	8.31	-51.60
O=C([O-])C(CC(F)F)NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300002767883	1	43	0.0	-59.40	346.29	8.34	-51.06
CC1=[NH+]C=C2CCC(C(=O)NC(CC(F)F)C(=O)[O-])CN12	REAL300002768732	1	38	0.0	-56.63	315.14	7.22	-49.41
O=C([O-])C(CC(F)F)NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300002768733	0	46	0.0	-59.87	367.78	9.67	-50.20
CC1=NC(C[NH+]2CCC(C(=O)NC(CC(F)F)C(=O)[O-])CC2)=CS1	REAL300002768797	1	45	0.0	-73.53	377.07	7.22	-66.31
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC(F)F)C(=O)[O-])C=C1	REAL300002768863	0	49	0.0	-76.50	402.60	8.97	-67.53
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CC(F)F)C(=O)[O-])=C1	REAL300002768877	0	49	0.0	-76.98	402.80	11.29	-65.69
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CC(F)F)C(=O)[O-])=C1	REAL300002768877	1	49	0.0	-72.80	401.66	11.55	-61.25
CC1(C(=O)NC(CC(F)F)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300002768878	0	49	0.0	-49.64	378.69	10.05	-39.59
O=C([O-])C(CC(F)F)NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300002768919	0	46	0.0	-53.27	379.90	9.92	-43.35
O=C([O-])C(CC(F)F)NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002768919	1	46	0.0	-53.74	381.28	9.84	-43.90
C[NH+](C)CC1(C(=O)NC(CC(F)F)C(=O)[O-])CCCCC1	REAL300002768955	0	45	0.0	-67.21	320.54	8.53	-58.68
C[N@H+](CCC(=O)NC(CC(F)F)C(=O)[O-])C1CCCCC1	REAL300002768958	0	45	0.0	-65.97	346.35	7.79	-58.18
C[N@@H+](CCC(=O)NC(CC(F)F)C(=O)[O-])C1CCCCC1	REAL300002768958	1	45	0.0	-66.83	347.18	7.76	-59.07
O=C([O-])C(CC(F)F)NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002768981	1	46	0.0	-64.99	364.44	9.22	-55.77
O=C([O-])C(CC(F)F)NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002768981	1	46	0.0	-56.37	373.56	9.43	-46.94
O=C([O-])C(CC(F)F)NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002768982	1	43	0.0	-60.10	358.72	9.19	-50.91
O=C([O-])C(CC(F)F)NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002768982	1	43	0.0	-61.37	357.93	8.77	-52.60
O=C([O-])C(CC(F)F)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002769035	0	39	0.0	-73.31	335.36	7.08	-66.23
C[NH+](C)CCN1N=CC(C(=O)NC(CC(F)F)C(=O)[O-])=C1C1=CC=CC=C1	REAL300002769040	0	49	0.0	-79.58	402.04	8.92	-70.66
O=C([O-])C(CC(F)F)NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300002769065	0	46	0.0	-58.87	341.42	8.11	-50.76
O=C([O-])C(CC(F)F)NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300002769065	1	46	0.0	-52.81	339.70	8.33	-44.48
O=C([O-])C(CC(F)F)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002769066	0	47	0.0	-71.40	358.76	6.67	-64.73
O=C([O-])C(CC(F)F)NC(=O)CCCC[NH+]1CCOCC1	REAL300002769094	1	43	0.0	-73.51	347.04	5.75	-67.76
CC[N@H+](CC1=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])C=C1)C(C)C	REAL300002769095	0	48	0.0	-71.92	373.73	9.50	-62.42
CC[N@@H+](CC1=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])C=C1)C(C)C	REAL300002769095	1	48	0.0	-74.18	364.51	9.29	-64.89
O=C([O-])C(CC(F)F)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002769118	0	43	0.0	-60.99	350.36	8.86	-52.13
O=C([O-])C(CC(F)F)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002769118	1	43	0.0	-65.52	351.68	8.61	-56.91
O=C([O-])C(CC(F)F)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002769119	0	44	0.0	-73.28	348.59	7.80	-65.48
C[NH+]1CCN(C(C(=O)NC(CC(F)F)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300002769143	1	48	0.0	-68.54	382.18	7.48	-61.06
O=C([O-])C(CC(F)F)NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002769144	0	47	0.0	-68.71	346.09	6.06	-62.65
CC(C(=O)NC(CC(F)F)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002769147	0	42	0.0	-52.27	341.79	8.44	-43.83
CC(C(=O)NC(CC(F)F)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002769147	1	42	0.0	-57.98	342.72	8.20	-49.78
O=C([O-])C(CC(F)F)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002769157	0	49	0.0	-60.30	385.33	10.47	-49.83
O=C([O-])C(CC(F)F)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002769157	1	49	0.0	-71.06	392.41	10.23	-60.83
C[NH+](C)CC1=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])C=N1	REAL300002769188	0	38	0.0	-76.78	322.46	6.24	-70.54
CCC[NH+](CCC)CCCC(=O)NC(CC(F)F)C(=O)[O-]	REAL300002769199	0	47	0.0	-68.84	366.86	8.08	-60.76
O=C([O-])C(CC(F)F)NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300002769200	1	47	0.0	-54.31	374.95	6.33	-47.98
CC[N@H+](C)C(C(=O)NC(CC(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300002769201	0	42	0.0	-47.57	329.00	8.18	-39.39
CC[N@@H+](C)C(C(=O)NC(CC(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300002769201	1	42	0.0	-52.86	341.29	8.30	-44.56
CC[NH+](CC)C(C(=O)NC(CC(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300002769206	0	45	0.0	-45.63	339.58	8.38	-37.25
C[NH+](C)C(C(=O)NC(CC(F)F)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300002769212	1	39	0.0	-51.18	338.43	8.40	-42.78
O=C([O-])C(CC(F)F)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002769226	0	43	0.0	-74.96	349.13	8.97	-65.99
O=C([O-])C(CC(F)F)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002769233	0	46	0.0	-69.86	366.76	9.74	-60.12
CCN1CCC([NH+]2CCC(C(=O)NC(CC(F)F)C(=O)[O-])CC2)CC1	REAL300002769239	0	54	0.0	-64.79	401.91	7.34	-57.45
CC1C[NH+](CC2=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])C=C2)CC(C)O1	REAL300002769245	1	50	0.0	-78.85	400.03	8.78	-70.07
O=C([O-])C(CC(F)F)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002769255	1	47	0.0	-72.00	374.60	8.87	-63.13
O=C([O-])C(CC(F)F)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002769255	1	47	0.0	-74.21	382.27	8.74	-65.47
O=C([O-])C(CC(F)F)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300002769270	0	46	0.0	-54.90	367.43	9.31	-45.59
O=C([O-])C(CC(F)F)NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300002769270	1	46	0.0	-54.97	357.73	9.21	-45.76
CC1=C(C(=O)NC(CC(F)F)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002769272	1	37	0.0	-74.94	322.80	6.28	-68.66
O=C([O-])C(CC(F)F)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002769280	0	46	0.0	-79.23	367.35	9.51	-69.72
O=C([O-])C(CC(F)F)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002769291	1	39	0.0	-73.24	330.21	6.55	-66.69
C[NH+](C)CCC1=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])C=C1	REAL300002769292	0	42	0.0	-79.59	346.85	8.77	-70.82
O=C([O-])C(CC(F)F)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002769300	1	44	0.0	-52.65	354.00	8.25	-44.40
O=C([O-])C(CC(F)F)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002769300	1	44	0.0	-59.31	355.84	8.03	-51.28
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC(CC(F)F)C(=O)[O-]	REAL300002769306	0	53	0.0	-63.10	412.72	11.05	-52.05
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC(CC(F)F)C(=O)[O-]	REAL300002769306	1	53	0.0	-59.10	403.80	11.01	-48.09
CC(C(=O)NC(CC(F)F)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002769315	0	52	0.0	-57.09	401.39	10.58	-46.51
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(F)F)C(=O)[O-]	REAL300002769348	0	42	0.0	-56.21	345.35	8.89	-47.32
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC(F)F)C(=O)[O-]	REAL300002769348	1	42	0.0	-63.31	347.91	8.60	-54.71
COCCOCC[N@H+](C)CCC(=O)NC(CC(F)F)C(=O)[O-]	REAL300002769349	0	46	0.0	-60.44	374.34	5.05	-55.39
COCCOCC[N@@H+](C)CCC(=O)NC(CC(F)F)C(=O)[O-]	REAL300002769349	1	46	0.0	-68.68	376.95	4.78	-63.90
O=C([O-])C(CC(F)F)NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002769358	0	51	0.0	-67.93	401.34	8.53	-59.40
CC(C)[NH+]1CCN(CCC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300002769394	0	47	0.0	-65.47	362.15	5.63	-59.84
CC(C)N1CC[NH+](CCC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300002769394	1	47	0.0	-59.40	357.87	5.41	-53.99
CC(C)[NH+]1CCN(CCCC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300002769395	0	50	0.0	-64.47	383.89	6.37	-58.10
CC(C)N1CC[NH+](CCCC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300002769395	1	50	0.0	-68.68	381.94	5.92	-62.76
C[NH+](C)CCN1C=C(C(=O)NC(CC(F)F)C(=O)[O-])C=N1	REAL300002769397	0	39	0.0	-77.49	333.08	5.65	-71.84
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CC(F)F)C(=O)[O-])CC2)=C1	REAL300002769402	0	51	0.0	-63.05	400.41	8.44	-54.61
O=C([O-])C(CC(F)F)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002769404	0	48	0.0	-69.72	381.58	7.50	-62.22
O=C([O-])C(CC(F)F)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002769408	0	45	0.0	-67.71	364.59	7.65	-60.06
O=C([O-])C(CC(F)F)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002769408	1	45	0.0	-66.02	363.92	7.54	-58.48
CC(C(=O)NC(CC(F)F)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002769412	1	43	0.0	-58.62	343.39	8.72	-49.90
CC(C(=O)NC(CC(F)F)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002769412	1	43	0.0	-60.60	343.81	8.72	-51.88
O=C([O-])C(CC(F)F)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002769440	0	46	0.0	-72.71	373.57	9.45	-63.26
O=C([O-])C(CC(F)F)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002769440	1	46	0.0	-67.36	369.99	9.57	-57.79
C[NH+](C)CCN1C=CC(C(=O)NC(CC(F)F)C(=O)[O-])=N1	REAL300002769452	0	39	0.0	-82.56	332.62	5.72	-76.84
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC(F)F)C(=O)[O-]	REAL300002769453	0	39	0.0	-52.31	325.80	5.92	-46.39
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(F)F)C(=O)[O-]	REAL300002769458	1	40	0.0	-61.21	334.73	7.38	-53.83
O=C([O-])C(CC(F)F)NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002769471	0	46	0.0	-60.82	367.42	9.90	-50.92
O=C([O-])C(CC(F)F)NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002769471	1	46	0.0	-61.27	373.73	9.69	-51.58
O=C([O-])C(CC(F)F)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002769475	0	47	0.0	-63.45	377.57	7.14	-56.31
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300002769516	1	46	0.0	-79.84	366.30	7.59	-72.25
O=C([O-])C(CC(F)F)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002769517	0	46	0.0	-65.20	354.25	8.08	-57.12
O=C([O-])C(CC(F)F)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002769517	1	46	0.0	-66.85	354.10	8.04	-58.81
O=C([O-])C(CC(F)F)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300002769536	0	51	0.0	-65.45	395.38	8.26	-57.19
O=C([O-])C(CC(F)F)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300002769536	1	51	0.0	-66.14	397.38	8.28	-57.86
CC(C)(C[NH+]1CCOCC1)C(=O)NC(CC(F)F)C(=O)[O-]	REAL300002769543	0	43	0.0	-51.09	326.19	5.51	-45.58
CC(C)[N@@H+]1CCC(C(=O)NC(CC(F)F)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002769546	0	52	0.0	-56.68	396.30	8.19	-48.49
CC(C)[N@H+]1CCC(C(=O)NC(CC(F)F)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002769546	1	52	0.0	-72.27	390.71	7.45	-64.82
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC(CC(F)F)C(=O)[O-])C=N1	REAL300002769547	0	46	0.0	-68.68	347.63	6.38	-62.30
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC(CC(F)F)C(=O)[O-])C=N1	REAL300002769547	1	46	0.0	-69.08	371.05	7.23	-61.85
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC(F)F)C(=O)[O-])=C2)CC1	REAL300002769553	0	48	0.0	-67.13	383.63	7.37	-59.76
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])C=C2)CC1	REAL300002769554	0	48	0.0	-77.04	384.67	6.89	-70.15
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])C=C2)CC1	REAL300002769554	1	48	0.0	-79.94	384.17	7.01	-72.93
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])C=C1	REAL300002769555	0	49	0.0	-73.69	385.54	8.80	-64.89
O=C([O-])C(CC(F)F)NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002769643	0	50	0.0	-78.27	397.60	7.09	-71.18
C[NH+](C)CC1=CC=CC(C(=O)NC(CC(F)F)C(=O)[O-])=C1	REAL300002769647	0	39	0.0	-71.18	325.00	7.95	-63.23
O=C([O-])C(CC(F)F)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002769648	0	46	0.0	-59.94	367.95	9.65	-50.29
O=C([O-])C(CC(F)F)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002769648	1	46	0.0	-59.99	367.88	9.65	-50.34
C[NH+](C)CC1=CC=CC=C1C(=O)NC(CC(F)F)C(=O)[O-]	REAL300002769703	0	39	0.0	-46.84	317.87	8.13	-38.71
CC[NH+]1CCN(CCC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300002769705	0	44	0.0	-66.11	344.49	4.89	-61.22
CCN1CC[NH+](CCC(=O)NC(CC(F)F)C(=O)[O-])CC1	REAL300002769705	1	44	0.0	-65.70	347.38	4.82	-60.88
CC(C)C(C(=O)NC(CC(F)F)C(=O)[O-])[NH+]1CCCCC1	REAL300002769708	0	45	0.0	-57.78	334.21	8.18	-49.60
C[NH+](C)C(C(=O)NC(CC(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300002769709	1	39	0.0	-54.33	321.73	7.88	-46.45
O=C([O-])C(CC(F)F)NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300002769713	0	44	0.0	-61.70	362.24	5.62	-56.08
O=C([O-])C(CC(F)F)NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002769713	1	44	0.0	-57.13	360.14	5.93	-51.20
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC(F)F)C(=O)[O-]	REAL300002769718	1	40	0.0	-55.76	332.48	7.54	-48.22
C[NH+](C)CC1=C(C(=O)NC(CC(F)F)C(=O)[O-])OC2=CC=CC=C21	REAL300002769719	0	42	0.0	-53.02	353.26	8.06	-44.96
CC[NH+](CC)C(C(=O)NC(CC(F)F)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300002769721	0	48	0.0	-62.44	388.35	9.48	-52.96
O=C([O-])C(CC(F)F)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300002769724	0	43	0.0	-64.13	313.66	7.57	-56.56
O=C([O-])C(CC(F)F)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300002769724	1	43	0.0	-63.17	321.99	7.36	-55.81
CC(C)C(C(=O)NC(CC(F)F)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300002769746	1	49	0.0	-52.10	370.31	6.71	-45.39
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC(F)F)C(=O)[O-])=CC=C1N2	REAL300002769771	1	44	0.0	-77.30	359.99	8.33	-68.97
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC(F)F)C(=O)[O-])=CC=C1N2	REAL300002769771	1	44	0.0	-78.94	361.68	8.13	-70.81
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])O1	REAL300002769823	0	42	0.0	-68.85	342.02	7.35	-61.50
CC1=CC=C(N2CCC(C(=O)NC(CC(F)F)C(=O)[O-])CC2)[NH+]=C1	REAL300002769824	1	45	0.0	-65.34	361.08	7.48	-57.86
C[N@H+](CC(=O)NC(CC(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300002769825	1	39	0.0	-57.23	323.70	7.98	-49.25
C[N@@H+](CC(=O)NC(CC(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300002769825	1	39	0.0	-63.98	325.43	7.76	-56.22
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])C=C2)CC1	REAL300002769828	0	51	0.0	-79.37	394.70	8.09	-71.28
O=C([O-])C(CC(F)F)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300002769838	1	34	0.0	-73.38	306.34	5.83	-67.55
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(F)F)C(=O)[O-]	REAL300002769869	0	46	0.0	-69.25	371.76	9.39	-59.86
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC(F)F)C(=O)[O-]	REAL300002769869	1	46	0.0	-68.27	372.39	9.52	-58.75
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC(F)F)C(=O)[O-])C=C1	REAL300002769887	0	47	0.0	-77.05	389.53	8.86	-68.19
O=C([O-])C(CC(F)F)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002769905	0	43	0.0	-73.81	353.01	7.80	-66.01
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC(CC(F)F)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300002769935	0	45	0.0	-56.96	361.05	7.58	-49.38
CC(C)(C)[N@H+]1C[C@H](C(=O)NC(CC(F)F)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300002769935	1	45	0.0	-53.78	361.66	7.50	-46.28
O=C([O-])C(CC(F)F)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300002770163	0	47	0.0	-67.54	375.05	9.92	-57.62
O=C([O-])C(CC(F)F)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300002770163	1	47	0.0	-68.61	375.77	9.95	-58.66
O=C([O-])C(CC(F)F)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300002770193	1	46	0.0	-58.61	372.95	9.43	-49.18
O=C([O-])C(CC(F)F)NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300002770193	1	46	0.0	-58.63	371.24	9.66	-48.97
C[N@@H+]1CC(C(=O)NC(CC(F)F)C(=O)[O-])C(C(F)(F)F)C1	REAL300002770273	0	36	0.0	-71.51	310.56	6.17	-65.34
C[N@H+]1CC(C(=O)NC(CC(F)F)C(=O)[O-])C(C(F)(F)F)C1	REAL300002770273	1	36	0.0	-61.55	310.50	6.18	-55.37
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC(F)F)C(=O)[O-])=C1	REAL300002770685	0	42	0.0	-75.20	349.42	8.48	-66.72
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])C=C1	REAL300002770690	0	43	0.0	-76.04	354.98	7.68	-68.36
O=C([O-])C(CC(F)F)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002770761	0	49	0.0	-68.47	388.48	10.10	-58.37
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])C=C2)CCO1	REAL300002770763	1	47	0.0	-77.97	372.32	8.12	-69.85
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC(F)F)C(=O)[O-])C=C2)CCO1	REAL300002770763	1	47	0.0	-81.76	374.34	7.82	-73.94
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300002770845	0	45	0.0	-56.06	342.76	8.11	-47.95
CC(C)C[N@H+]1CCCC(C(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300002770845	1	45	0.0	-56.06	342.76	8.11	-47.95
C[N@@H+]1CCCC(C(C)(C)C(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300002770850	0	45	0.0	-73.21	330.89	6.91	-66.30
C[N@H+]1CCCC(C(C)(C)C(=O)NC(CC(F)F)C(=O)[O-])C1	REAL300002770850	1	45	0.0	-73.21	330.89	6.91	-66.30
COC1=CC=C(C(NC(=O)C[NH+](C)C)C(=O)[O-])C=C1Br	REAL300002771273	0	37	0.0	-60.45	322.26	6.00	-54.45
COC1=CC=C(C(NC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])C=C1Br	REAL300002771283	0	44	0.0	-62.29	355.11	7.34	-54.95
COC1=CC=C(C(NC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])C=C1Br	REAL300002771283	1	44	0.0	-54.34	364.24	7.60	-46.74
COC1=CC=C(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1Br	REAL300002771293	0	44	0.0	-69.56	367.06	7.59	-61.97
COC1=CC=C(C(NC(=O)C2CCC[N@@H+]2C)C(=O)[O-])C=C1Br	REAL300002771316	0	41	0.0	-53.92	348.35	6.98	-46.94
COC1=CC=C(C(NC(=O)C2CCC[N@H+]2C)C(=O)[O-])C=C1Br	REAL300002771316	1	41	0.0	-53.98	347.94	6.96	-47.02
COC1=CC=C(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1Br	REAL300002771333	0	44	0.0	-69.56	367.06	7.59	-61.97
COC1=CC=C(C(NC(=O)[C@H](C)[NH+](C)C)C(=O)[O-])C=C1Br	REAL300002771349	0	40	0.0	-58.72	340.37	6.35	-52.37
COC1=CC=C(C(NC(=O)[C@H]2CCC[N@@H+]2C)C(=O)[O-])C=C1Br	REAL300002771350	0	41	0.0	-56.95	348.57	7.08	-49.87
COC1=CC=C(C(NC(=O)[C@H]2CCC[N@H+]2C)C(=O)[O-])C=C1Br	REAL300002771350	1	41	0.0	-62.35	342.52	6.47	-55.88
COC1=CC=C(C(NC(=O)[C@@H](C)[NH+](C)C)C(=O)[O-])C=C1Br	REAL300002771353	0	40	0.0	-58.01	340.44	6.41	-51.60
COC1=CC=C(C(NC(=O)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1Br	REAL300002771390	1	42	0.0	-51.39	352.71	6.23	-45.16
COC1=CC=C(C(NC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1Br	REAL300002771390	1	42	0.0	-55.58	352.77	6.21	-49.37
COC1=CC=C(C(NC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])C=C1Br	REAL300002771398	0	44	0.0	-50.11	373.44	7.74	-42.37
COC1=CC=C(C(NC(=O)CCCC[NH+](C)C)C(=O)[O-])C=C1Br	REAL300002771400	0	46	0.0	-73.57	387.86	8.07	-65.50
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300002771411	0	43	0.0	-57.27	361.70	7.36	-49.91
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300002771411	1	43	0.0	-57.20	361.74	7.35	-49.85
COC1=CC=C(C(NC(=O)C[N@H+](C)C2CCC2)C(=O)[O-])C=C1Br	REAL300002771417	0	44	0.0	-55.47	368.59	7.93	-47.54
COC1=CC=C(C(NC(=O)C[N@@H+](C)C2CCC2)C(=O)[O-])C=C1Br	REAL300002771417	1	44	0.0	-54.61	368.69	7.93	-46.68
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Br)=C1)[NH+](C)C	REAL300002771423	0	43	0.0	-56.69	352.89	6.98	-49.71
COC1=CC=C(C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(=O)[O-])C=C1Br	REAL300002771446	0	44	0.0	-64.94	355.26	6.99	-57.95
COC1=CC=C(C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(=O)[O-])C=C1Br	REAL300002771446	1	44	0.0	-66.66	361.40	7.14	-59.52
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)CC[N@@H+]1C	REAL300002771447	0	47	0.0	-64.14	379.29	7.69	-56.45
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)CC[N@H+]1C	REAL300002771447	1	47	0.0	-62.56	383.28	8.20	-54.36
COC1=CC=C(C(NC(=O)C[NH+]2CCCC2)C(=O)[O-])C=C1Br	REAL300002771451	0	41	0.0	-55.76	347.71	7.16	-48.60
COC1=CC=C(C(NC(=O)CN2C=C[NH+]=C2C)C(=O)[O-])C=C1Br	REAL300002771452	1	39	0.0	-54.73	351.29	7.61	-47.12
COC1=CC=C(C(NC(=O)C[NH+]2CCC(C)CC2)C(=O)[O-])C=C1Br	REAL300002771466	0	47	0.0	-59.97	385.46	8.42	-51.55
COC1=CC=C(C(NC(=O)CCC2CCC[N@@H+]2C)C(=O)[O-])C=C1Br	REAL300002771475	0	47	0.0	-65.42	384.41	7.94	-57.48
COC1=CC=C(C(NC(=O)CCC2CCC[N@H+]2C)C(=O)[O-])C=C1Br	REAL300002771475	1	47	0.0	-68.27	385.85	8.34	-59.93
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300002771481	0	43	0.0	-58.48	358.35	7.36	-51.12
COC1=CC=C(C(NC(=O)C23CC[NH+](CC2)C3)C(=O)[O-])C=C1Br	REAL300002771496	0	42	0.0	-70.65	354.09	6.44	-64.21
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Br)=C1)[NH+](C)C	REAL300002771498	0	43	0.0	-62.54	355.10	7.08	-55.46
COC1=CC=C(C(NC(=O)C23CC[N@H+](C2)CCC3)C(=O)[O-])C=C1Br	REAL300002771500	0	45	0.0	-69.95	364.05	7.19	-62.76
COC1=CC=C(C(NC(=O)C23CC[N@@H+](C2)CCC3)C(=O)[O-])C=C1Br	REAL300002771500	1	45	0.0	-70.59	364.07	7.13	-63.46
COC1=CC=C(C(NC(=O)C[NH+]2C(C)CCC2C)C(=O)[O-])C=C1Br	REAL300002771512	0	47	0.0	-53.65	379.50	7.82	-45.83
COC1=CC=C(C(NC(=O)C[N@H+](C)C(C)C)C(=O)[O-])C=C1Br	REAL300002771524	0	43	0.0	-53.85	356.69	7.20	-46.65
COC1=CC=C(C(NC(=O)C[N@@H+](C)C(C)C)C(=O)[O-])C=C1Br	REAL300002771524	1	43	0.0	-53.60	356.29	7.20	-46.40
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Br)=C1)C1CC1	REAL300002771528	0	44	0.0	-54.19	368.23	7.96	-46.23
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Br)=C1)C1CC1	REAL300002771528	1	44	0.0	-55.38	368.90	7.96	-47.42
COC1=CC=C(C(NC(=O)[C@@H]2CCC[N@@H+]2C)C(=O)[O-])C=C1Br	REAL300002771533	0	41	0.0	-62.45	342.47	6.47	-55.98
COC1=CC=C(C(NC(=O)[C@@H]2CCC[N@H+]2C)C(=O)[O-])C=C1Br	REAL300002771533	1	41	0.0	-54.65	348.18	6.88	-47.77
COC1=CC=C(C(NC(=O)C[NH2+]C(C)(C)C)C(=O)[O-])C=C1Br	REAL300002771550	0	43	0.0	-58.12	361.44	5.65	-52.47
COC1=CC=C(C(NC(=O)C2CCC[N@@H+]2C(C)C)C(=O)[O-])C=C1Br	REAL300002771565	0	47	0.0	-58.78	373.23	8.59	-50.19
COC1=CC=C(C(NC(=O)C2CCC[N@H+]2C(C)C)C(=O)[O-])C=C1Br	REAL300002771565	1	47	0.0	-60.54	374.98	8.19	-52.35
COC1=CC=C(C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C(=O)[O-])C=C1Br	REAL300002771754	0	44	0.0	-64.54	372.05	7.67	-56.87
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)C1	REAL300002771761	0	47	0.0	-65.71	384.54	8.27	-57.44
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)C1	REAL300002771761	1	47	0.0	-64.48	384.75	8.20	-56.28
COC1=CC=C(C(NC(=O)C2CCC[N@H+](C)C2)C(=O)[O-])C=C1Br	REAL300002771763	0	44	0.0	-66.78	367.07	7.54	-59.24
COC1=CC=C(C(NC(=O)C2CCC[N@@H+](C)C2)C(=O)[O-])C=C1Br	REAL300002771763	1	44	0.0	-56.55	360.59	7.84	-48.71
CC1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(C(=O)[O-])C1	REAL300002772823	0	53	0.0	-85.01	385.96	12.19	-72.82
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C)CC3C(=O)[O-])CN12	REAL300002774111	1	45	0.0	-70.83	328.98	9.71	-61.12
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(C)CC3C(=O)[O-])CC2)=CS1	REAL300002774163	1	52	0.0	-87.35	386.81	9.94	-77.41
CC1CCN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300002774225	0	56	0.0	-89.29	422.51	12.16	-77.13
CC1CCN(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C(C(=O)[O-])C1	REAL300002774231	0	56	0.0	-88.59	421.71	14.17	-74.42
CC1CCN(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C(C(=O)[O-])C1	REAL300002774231	1	56	0.0	-87.24	421.61	14.18	-73.06
CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C(C(=O)[O-])C1	REAL300002774299	0	52	0.0	-76.27	335.25	10.22	-66.05
CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C(C(=O)[O-])C1	REAL300002774301	0	52	0.0	-75.14	366.80	11.00	-64.14
CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C(C(=O)[O-])C1	REAL300002774301	1	52	0.0	-75.72	360.01	10.80	-64.92
CC1CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(C(=O)[O-])C1	REAL300002774360	0	46	0.0	-92.81	361.43	10.01	-82.80
CC1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C(C(=O)[O-])C1	REAL300002774379	0	54	0.0	-88.84	370.42	9.04	-79.80
CC1CCN(C(=O)CCCC[NH+]2CCOCC2)C(C(=O)[O-])C1	REAL300002774403	1	50	0.0	-84.26	359.87	8.81	-75.45
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C)CC2C(=O)[O-])C=C1)C(C)C	REAL300002774404	0	55	0.0	-91.92	398.51	12.48	-79.44
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C)CC2C(=O)[O-])C=C1)C(C)C	REAL300002774404	1	55	0.0	-91.76	389.86	12.05	-79.71
CC1CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300002774421	0	50	0.0	-75.56	367.89	11.61	-63.95
CC1CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300002774421	1	50	0.0	-75.17	365.38	11.59	-63.58
CC1CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C(C(=O)[O-])C1	REAL300002774422	0	51	0.0	-88.26	368.87	11.11	-77.15
CC1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C(C(=O)[O-])C1	REAL300002774444	0	54	0.0	-76.62	358.32	8.77	-67.85
CC(C(=O)N1CCC(C)CC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300002774447	0	49	0.0	-69.03	354.54	11.05	-57.98
CC(C(=O)N1CCC(C)CC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300002774447	1	49	0.0	-66.53	361.36	11.07	-55.46
CC1CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300002774455	0	56	0.0	-79.31	408.70	13.24	-66.07
CC1CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300002774455	1	56	0.0	-80.13	411.58	13.30	-66.83
CC1CCN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C(C(=O)[O-])C1	REAL300002774472	0	45	0.0	-91.01	341.42	9.09	-81.92
CCC[NH+](CCC)CCCC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300002774479	0	54	0.0	-75.67	382.73	11.16	-64.51
CC1CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(C(=O)[O-])C1	REAL300002774497	0	50	0.0	-94.50	374.97	11.88	-82.62
CC1CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(C(=O)[O-])C1	REAL300002774502	0	53	0.0	-85.13	384.25	12.46	-72.67
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C)CC3C(=O)[O-])CC2)CC1	REAL300002774508	0	61	0.0	-83.81	412.02	9.77	-74.04
CC1CCN(C(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C(C(=O)[O-])C1	REAL300002774515	1	57	0.0	-97.26	425.04	11.61	-85.65
CC1CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])C1	REAL300002774524	1	54	0.0	-90.08	389.20	11.26	-78.82
CC1CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])C1	REAL300002774524	1	54	0.0	-87.35	402.69	11.60	-75.75
CC1=C(C(=O)N2CCC(C)CC2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002774538	1	44	0.0	-89.93	341.50	9.06	-80.87
CC1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(C(=O)[O-])C1	REAL300002774541	0	53	0.0	-94.44	391.70	12.59	-81.85
CC1CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(C(=O)[O-])C1	REAL300002774552	1	46	0.0	-84.27	349.23	9.66	-74.61
CC1CCN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300002774553	0	49	0.0	-98.02	372.65	11.57	-86.45
CC1CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])C1	REAL300002774557	1	51	0.0	-89.22	378.23	10.74	-78.48
CC1CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])C1	REAL300002774557	1	51	0.0	-85.49	370.64	10.26	-75.23
CC(C(=O)N1CCC(C)CC1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002774566	0	59	0.0	-66.25	417.14	13.25	-53.00
CC(C(=O)N1CCC(C)CC1C(=O)[O-])[NH+]1CCSCC1	REAL300002774588	1	44	0.0	-64.89	311.50	8.56	-56.33
CC1CCN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300002774595	0	49	0.0	-67.23	367.58	11.68	-55.55
CC1CCN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300002774595	1	49	0.0	-67.41	360.83	11.44	-55.97
COCCOCC[N@H+](C)CCC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300002774596	0	53	0.0	-72.36	395.95	7.81	-64.55
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300002774596	1	53	0.0	-76.37	389.79	7.85	-68.52
CC1CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(C(=O)[O-])C1	REAL300002774603	0	58	0.0	-82.14	415.86	11.37	-70.77
CC1CCN(C(=O)C[N@H+](C)C2CCSC2)C(C(=O)[O-])C1	REAL300002774625	0	44	0.0	-69.80	327.77	9.47	-60.33
CC1CCN(C(=O)C[N@@H+](C)C2CCSC2)C(C(=O)[O-])C1	REAL300002774625	1	44	0.0	-68.36	321.04	9.24	-59.12
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300002774635	0	54	0.0	-81.40	377.05	8.35	-73.05
CC(C)N1CC[NH+](CCC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300002774635	1	54	0.0	-74.38	376.30	8.37	-66.01
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300002774636	0	57	0.0	-79.39	393.37	8.85	-70.54
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300002774636	1	57	0.0	-78.12	394.91	9.00	-69.12
CC1CCN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C(C(=O)[O-])C1	REAL300002774638	0	46	0.0	-90.04	350.12	8.60	-81.44
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(C)CC3C(=O)[O-])CC2)=C1	REAL300002774641	0	58	0.0	-77.72	415.81	11.23	-66.49
CC1CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C(C(=O)[O-])C1	REAL300002774643	0	55	0.0	-77.65	394.37	10.58	-67.07
CC1CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(C(=O)[O-])C1	REAL300002774646	0	52	0.0	-71.06	374.18	10.64	-60.42
CC1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(C(=O)[O-])C1	REAL300002774646	1	52	0.0	-71.08	373.60	10.55	-60.53
CC(C(=O)N1CCC(C)CC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002774651	1	50	0.0	-66.55	356.80	11.20	-55.35
CC(C(=O)N1CCC(C)CC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002774651	1	50	0.0	-64.36	356.56	11.15	-53.21
CC1CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300002774670	0	53	0.0	-81.85	384.25	12.25	-69.60
CC1CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300002774670	1	53	0.0	-82.76	393.03	12.64	-70.12
CC1CCN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300002774681	0	46	0.0	-102.54	349.93	9.21	-93.33
CC1CCN(C(=O)C2=CC=NN2CC[NH+](C)C)C(C(=O)[O-])C1	REAL300002774682	0	46	0.0	-62.80	345.51	8.63	-54.17
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300002774683	1	47	0.0	-69.69	354.31	10.50	-59.19
CC1CCN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C(C(=O)[O-])C1	REAL300002774686	1	47	0.0	-89.94	351.32	8.74	-81.20
CC1CCN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C(C(=O)[O-])C1	REAL300002774686	1	47	0.0	-90.61	344.31	8.51	-82.10
CC1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C(C(=O)[O-])C1	REAL300002774694	0	53	0.0	-71.21	385.66	12.47	-58.74
CC1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C(C(=O)[O-])C1	REAL300002774694	1	53	0.0	-63.47	385.08	12.39	-51.08
CC1CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C(C(=O)[O-])C1	REAL300002774698	0	54	0.0	-76.49	392.12	10.00	-66.49
CC1CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C(C(=O)[O-])C1	REAL300002774734	0	53	0.0	-73.08	369.68	11.15	-61.93
CC1CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C(C(=O)[O-])C1	REAL300002774734	1	53	0.0	-73.03	371.93	11.15	-61.88
CC1CCN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C(C(=O)[O-])C1	REAL300002774759	0	55	0.0	-91.98	401.37	10.03	-81.95
CC1CCN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C(C(=O)[O-])C1	REAL300002774760	0	55	0.0	-93.96	394.44	9.80	-84.16
CC1CCN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C(C(=O)[O-])C1	REAL300002774760	1	55	0.0	-95.32	408.24	10.03	-85.29
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(C)CC2C(=O)[O-])C=C1	REAL300002774761	0	56	0.0	-92.64	415.69	11.97	-80.67
CC1CCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C(C(=O)[O-])C1	REAL300002774838	0	57	0.0	-97.21	423.40	9.89	-87.32
CC1CCN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C(C(=O)[O-])C1	REAL300002774842	0	46	0.0	-85.43	342.69	10.61	-74.82
CC1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300002774843	0	53	0.0	-66.56	373.13	12.22	-54.34
CC1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300002774843	1	53	0.0	-64.45	378.51	12.27	-52.18
CC[NH+]1CCN(CCC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300002774884	0	51	0.0	-82.45	367.05	8.08	-74.37
CCN1CC[NH+](CCC(=O)N2CCC(C)CC2C(=O)[O-])CC1	REAL300002774884	1	51	0.0	-74.36	359.67	7.84	-66.52
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C)CC1C(=O)[O-]	REAL300002774890	1	47	0.0	-68.79	347.11	10.32	-58.47
CC1CCN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C(C(=O)[O-])C1	REAL300002774937	1	51	0.0	-92.08	373.68	10.80	-81.28
CC1CCN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C(C(=O)[O-])C1	REAL300002774937	1	51	0.0	-91.48	373.78	10.79	-80.69
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C)CC2C(=O)[O-])O1	REAL300002774977	0	49	0.0	-89.52	353.61	9.87	-79.65
CC1=CC=C(N2CCC(C(=O)N3CCC(C)CC3C(=O)[O-])CC2)[NH+]=C1	REAL300002774978	1	52	0.0	-83.49	379.36	10.33	-73.16
CC1CCN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300002774979	1	46	0.0	-69.15	338.40	10.59	-58.56
CC1CCN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300002774979	1	46	0.0	-70.19	338.23	10.63	-59.56
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(C)CC3C(=O)[O-])C=C2)CC1	REAL300002774982	0	58	0.0	-94.33	406.27	10.70	-83.63
CC1CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(C(=O)[O-])C1	REAL300002774991	1	41	0.0	-86.39	325.71	8.64	-77.75
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C)CC1C(=O)[O-]	REAL300002775018	0	53	0.0	-82.56	383.75	11.97	-70.59
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C)CC1C(=O)[O-]	REAL300002775018	1	53	0.0	-86.93	382.10	11.89	-75.04
CC1CCN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300002775035	0	54	0.0	-94.82	402.16	11.42	-83.40
CC1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(C(=O)[O-])C1	REAL300002775049	0	50	0.0	-91.58	363.31	10.72	-80.86
CC1CCN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C(C(=O)[O-])C1	REAL300002775343	0	43	0.0	-71.64	312.31	8.57	-63.07
CC1CCN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(C(=O)[O-])C1	REAL300002775343	1	43	0.0	-74.53	308.64	7.99	-66.54
CC1CCN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(C(=O)[O-])C1	REAL300002775683	0	49	0.0	-88.39	365.18	11.45	-76.94
CC1CCN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300002775688	0	50	0.0	-98.16	372.47	10.40	-87.76
CC1CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C(C(=O)[O-])C1	REAL300002775760	0	56	0.0	-78.50	408.07	13.24	-65.26
CC1CCN(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C(C(=O)[O-])C1	REAL300002775762	1	54	0.0	-98.97	392.74	10.79	-88.18
CC1CCN(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C(C(=O)[O-])C1	REAL300002775762	1	54	0.0	-83.84	393.53	10.57	-73.27
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C)CC3C(=O)[O-])=CN21	REAL300002775786	0	41	0.0	-77.12	307.75	9.95	-67.17
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C)CC2C(=O)[O-])C1	REAL300002775823	0	52	0.0	-59.91	360.23	11.02	-48.89
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C)CC2C(=O)[O-])C1	REAL300002775823	1	52	0.0	-59.26	351.45	10.45	-48.81
CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002777006	0	54	0.0	-87.35	410.22	12.14	-75.21
CN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002777677	0	51	0.0	-72.74	399.14	11.55	-61.19
CN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002777677	1	51	0.0	-74.98	389.28	11.20	-63.78
CN(C(=O)C1CC[NH+](C2CC2)CC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778602	0	48	0.0	-80.10	358.58	9.77	-70.33
CN(C(=O)C1CCC[N@@H+]1C1CC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778629	0	45	0.0	-75.36	353.81	9.36	-66.00
CN(C(=O)C1CCC[N@H+]1C1CC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778629	1	45	0.0	-74.18	350.14	9.20	-64.98
CC1=[NH+]C=C2CCC(C(=O)N(C)C3=CC=C(OCC(=O)[O-])C=C3)CN12	REAL300002778635	1	46	0.0	-72.39	356.57	9.55	-62.84
CN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778636	0	54	0.0	-77.07	413.52	12.07	-65.00
CN(C(=O)C1CCCC[N@@H+]1C)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778718	0	44	0.0	-73.75	330.85	8.52	-65.23
CN(C(=O)C1CCCC[N@H+]1C)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778718	1	44	0.0	-77.87	324.95	8.34	-69.53
CC(C(=O)N(C)C1=CC=C(OCC(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300002778719	1	49	0.0	-77.43	366.61	6.86	-70.57
CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778763	0	44	0.0	-73.78	330.85	8.52	-65.26
CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778763	1	44	0.0	-71.54	341.90	8.98	-62.56
CN(C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778821	0	57	0.0	-74.39	417.35	12.24	-62.15
CN(C(=O)C1CC[NH+](C)CC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778855	0	44	0.0	-82.83	334.43	8.54	-74.29
CN(C(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778881	0	39	0.0	-78.53	319.41	10.20	-68.33
CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778915	0	53	0.0	-79.60	369.09	10.21	-69.39
CN(C(=O)CC[N@H+](C)C1CCCCC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778920	0	53	0.0	-78.92	400.77	11.08	-67.84
CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778920	1	53	0.0	-78.92	400.78	11.09	-67.83
CN(C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778938	1	51	0.0	-81.63	399.90	11.61	-70.02
CN(C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778938	1	51	0.0	-82.72	403.20	11.69	-71.03
CN(C(=O)C1CC[NH+](C)CC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778992	0	44	0.0	-82.83	334.43	8.54	-74.29
CN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002778997	0	47	0.0	-80.34	380.20	9.43	-70.91
CN(C(=O)C1CCCC[N@@H+]1C1CCCC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779021	0	54	0.0	-70.91	390.86	11.04	-59.87
CN(C(=O)C1CCCC[N@H+]1C1CCCC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779021	1	54	0.0	-69.19	397.36	11.21	-57.98
CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779022	0	55	0.0	-72.16	402.80	9.32	-62.84
CC1=[NH+]C=CN1CCCC(=O)N(C)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779055	1	45	0.0	-73.75	373.26	10.40	-63.35
CN(C(=O)CCCC[NH+]1CCOCC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779056	1	51	0.0	-80.61	400.63	9.08	-71.53
CC[N@H+](CC1=CC=C(C(=O)N(C)C2=CC=C(OCC(=O)[O-])C=C2)C=C1)C(C)C	REAL300002779059	0	56	0.0	-82.52	415.52	11.82	-70.70
CC[N@@H+](CC1=CC=C(C(=O)N(C)C2=CC=C(OCC(=O)[O-])C=C2)C=C1)C(C)C	REAL300002779059	1	56	0.0	-81.71	408.56	11.45	-70.26
CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779108	0	51	0.0	-78.91	403.68	11.81	-67.10
CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779108	1	51	0.0	-78.00	404.20	11.82	-66.18
CN(C(=O)C1CC[NH+](C2CCSC2)CC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779109	0	52	0.0	-88.89	392.94	10.79	-78.10
CN(C(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779136	1	56	0.0	-76.65	418.02	10.11	-66.54
CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779137	0	55	0.0	-79.93	395.28	9.15	-70.78
CCC(C(=O)N(C)C1=CC=C(OCC(=O)[O-])C=C1)[NH+](CC)CC	REAL300002779141	0	49	0.0	-68.50	365.14	9.66	-58.84
CC(C(=O)N(C)C1=CC=C(OCC(=O)[O-])C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002779143	0	50	0.0	-78.26	385.52	11.02	-67.24
CC(C(=O)N(C)C1=CC=C(OCC(=O)[O-])C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002779143	1	50	0.0	-78.12	384.45	10.91	-67.21
CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779155	0	57	0.0	-74.61	426.39	13.17	-61.44
CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779155	1	57	0.0	-74.58	426.40	13.17	-61.41
CN(C(=O)C1=CC=C(C[NH+](C)C)N=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779177	0	46	0.0	-82.26	363.96	8.30	-73.96
CCC[NH+](CCC)CCCC(=O)N(C)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779186	0	55	0.0	-77.47	420.53	11.42	-66.05
CN(C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779187	1	55	0.0	-75.23	416.40	8.77	-66.46
CC[N@H+](C)C(C(=O)N(C)C1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002779188	0	50	0.0	-70.63	388.41	11.38	-59.25
CC[N@@H+](C)C(C(=O)N(C)C1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002779188	1	50	0.0	-72.54	381.21	10.95	-61.59
CN(C(=O)C1C[N@H+](C)CCO1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779190	1	42	0.0	-78.25	318.96	7.12	-71.13
CN(C(=O)C1C[N@@H+](C)CCO1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779190	1	42	0.0	-79.16	327.84	7.55	-71.61
CC[NH+](CC)C(C(=O)N(C)C1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC=C1	REAL300002779193	0	53	0.0	-75.17	389.12	11.26	-63.91
CC(C)C1=[NH+]C=CN1CC(=O)N(C)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779202	1	45	0.0	-70.33	368.02	10.20	-60.13
CN(C(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779207	1	47	0.0	-78.46	379.94	10.83	-67.63
CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779220	0	51	0.0	-85.35	392.97	11.40	-73.95
CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779228	0	54	0.0	-79.32	408.47	12.08	-67.24
CN(C(=O)C1(C[NH+](C)C)CC1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779235	0	44	0.0	-76.67	340.48	8.65	-68.02
CN(C(=O)CCCC[NH+](C)C)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779245	0	46	0.0	-78.74	367.73	9.63	-69.11
CC(C)C(C(=O)N(C)C1=CC=C(OCC(=O)[O-])C=C1)[NH+](C)C	REAL300002779254	0	46	0.0	-72.08	342.87	8.85	-63.23
CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779256	1	55	0.0	-88.38	429.91	11.96	-76.42
CN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779256	1	55	0.0	-84.94	436.64	12.01	-72.93
CN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779268	0	54	0.0	-73.90	407.42	12.08	-61.82
CN(C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779268	1	54	0.0	-73.05	418.78	12.53	-60.52
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=C(OCC(=O)[O-])C=C1	REAL300002779278	0	54	0.0	-85.69	409.44	12.06	-73.63
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CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300002800724	1	51	0.0	-64.58	387.38	8.59	-55.99
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C(C(F)(F)F)C1	REAL300002800725	0	45	0.0	-69.41	358.92	8.52	-60.89
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C(C(F)(F)F)C1	REAL300002800725	1	45	0.0	-68.41	362.34	8.01	-60.40
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)N1	REAL300002800749	1	46	0.0	-61.74	378.73	7.08	-54.66
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)=C1	REAL300002801138	0	51	0.0	-78.69	409.14	10.14	-68.55
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1	REAL300002801145	0	52	0.0	-84.27	416.43	9.11	-75.16
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300002801260	0	45	0.0	-66.73	358.07	7.55	-59.18
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300002801264	0	51	0.0	-57.97	380.79	8.51	-49.46
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3=CC=C4OCCC4=C3)=CN21	REAL300002801268	0	43	0.0	-66.19	359.84	9.17	-57.02
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300002801317	0	54	0.0	-65.92	409.83	9.53	-56.39
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300002801317	1	54	0.0	-58.12	403.43	9.73	-48.39
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300002801318	0	48	0.0	-64.20	370.70	8.08	-56.12
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300002801318	1	48	0.0	-65.82	370.70	8.08	-57.74
C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300002801323	0	45	0.0	-56.96	346.85	7.63	-49.33
C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300002801323	1	45	0.0	-68.31	352.48	7.48	-60.83
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C3OCCC3=C2)O1	REAL300002801325	1	45	0.0	-77.37	371.75	7.59	-69.78
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=C2OCCC2=C1	REAL300002801333	1	47	0.0	-63.02	366.04	8.96	-54.06
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=C2OCCC2=C1	REAL300002801333	1	47	0.0	-63.79	366.30	9.19	-54.60
CC1=CC(C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])=CC(C)=C1	REAL300002802339	0	56	0.0	-77.31	435.87	12.56	-64.75
CC1=CC(C(NC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])=CC(C)=C1	REAL300002803622	0	50	0.0	-71.99	384.82	10.15	-61.84
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CC(C)=CC(C)=C3)CN21	REAL300002803648	1	48	0.0	-63.45	383.05	10.01	-53.44
CC1=CC(C(NC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])=CC(C)=C1	REAL300002803715	1	51	0.0	-71.85	388.64	7.12	-64.73
CC1=CC(C)=CC(C(NC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])=C1	REAL300002803749	0	46	0.0	-54.83	357.37	8.90	-45.93
CC1=CC(C)=CC(C(NC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])=C1	REAL300002803749	1	46	0.0	-58.51	348.06	8.71	-49.80
CC1=CC(C(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])=CC(C)=C1	REAL300002803789	0	59	0.0	-81.38	469.48	12.04	-69.34
CC1=CC(C)=CC(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300002803822	0	46	0.0	-73.51	359.98	8.94	-64.57
CC1=CC(C)=CC(C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])=C1	REAL300002803847	0	41	0.0	-71.49	345.35	10.87	-60.62
CC1=CC(C)=CC(C(NC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])=C1	REAL300002803876	0	55	0.0	-70.26	402.14	10.70	-59.56
CC1=CC(C)=CC(C(NC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])=C1	REAL300002803880	0	55	0.0	-66.04	413.60	10.96	-55.08
CC1=CC(C)=CC(C(NC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])=C1	REAL300002803880	1	55	0.0	-66.63	413.79	10.86	-55.77
CC1=CC(C)=CC(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300002803937	0	46	0.0	-73.51	359.98	8.94	-64.57
CC1=CC(C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(=O)[O-])=CC(C)=C1	REAL300002803940	0	49	0.0	-81.45	403.93	9.98	-71.47
CC1=CC(C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C(=O)[O-])=CC(C)=C1	REAL300002803955	0	57	0.0	-77.51	426.50	9.60	-67.91
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300002803984	1	47	0.0	-68.09	386.16	10.26	-57.83
CC1=CC(C(NC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])=CC(C)=C1	REAL300002803985	1	53	0.0	-75.81	413.69	8.88	-66.93
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1)C(C)C	REAL300002803987	0	58	0.0	-80.56	438.51	12.23	-68.33
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1)C(C)C	REAL300002803987	1	58	0.0	-81.75	432.84	11.97	-69.78
CC1=CC(C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300002804024	0	53	0.0	-68.03	418.98	11.68	-56.35
CC1=CC(C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300002804024	1	53	0.0	-66.87	418.57	11.67	-55.20
CC1=CC(C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C(=O)[O-])=CC(C)=C1	REAL300002804025	0	54	0.0	-77.94	414.60	10.97	-66.97
CC1=CC(C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C(=O)[O-])=CC(C)=C1	REAL300002804053	0	57	0.0	-68.47	412.69	9.19	-59.28
CCC(C(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1)[NH+](CC)CC	REAL300002804057	0	51	0.0	-54.77	381.56	9.59	-45.18
CC1=CC(C)=CC(C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300002804059	0	52	0.0	-59.08	410.52	11.29	-47.79
CC1=CC(C)=CC(C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300002804059	1	52	0.0	-57.27	409.56	11.32	-45.95
CC1=CC(C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300002804068	0	59	0.0	-72.09	459.05	13.34	-58.75
CC1=CC(C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300002804068	1	59	0.0	-57.09	450.74	13.55	-43.54
CC1=CC(C)=CC(C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])=C1	REAL300002804081	0	48	0.0	-80.98	389.38	9.29	-71.69
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300002804087	0	57	0.0	-69.38	433.27	11.28	-58.10
CC1=CC(C)=CC(C(NC(=O)C2C[N@H+](C)CCO2)C(=O)[O-])=C1	REAL300002804089	1	44	0.0	-77.69	352.55	7.82	-69.87
CC1=CC(C)=CC(C(NC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])=C1	REAL300002804089	1	44	0.0	-54.61	345.66	7.56	-47.05
CC1=CC(C(NC(=O)CN2C=C[NH+]=C2C(C)C)C(=O)[O-])=CC(C)=C1	REAL300002804097	1	47	0.0	-58.18	384.73	10.07	-48.11
CC1=CC(C)=CC(C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(=O)[O-])=C1	REAL300002804112	0	53	0.0	-83.22	416.86	11.91	-71.31
CC1=CC(C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(=O)[O-])=CC(C)=C1	REAL300002804118	0	56	0.0	-76.43	435.14	12.62	-63.81
CC1=CC(C)=CC(C(NC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])=C1	REAL300002804124	0	46	0.0	-69.10	367.29	9.04	-60.06
CC1=CC(C)=CC(C(NC(=O)CCCC[NH+](C)C)C(=O)[O-])=C1	REAL300002804133	0	48	0.0	-74.94	380.79	9.42	-65.52
CC1=CC(C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=CC(C)=C1	REAL300002804143	1	57	0.0	-78.66	442.71	11.83	-66.83
CC1=CC(C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=CC(C)=C1	REAL300002804143	1	57	0.0	-80.34	442.93	11.76	-68.58
CC1=C(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002804155	1	47	0.0	-81.29	389.35	9.21	-72.08
CC1=CC(C)=CC(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])=C1	REAL300002804158	0	56	0.0	-84.82	434.79	12.60	-72.22
CC1=CC(C)=CC(C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])=C1	REAL300002804170	1	49	0.0	-79.50	398.79	9.38	-70.12
CC1=CC(C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])=CC(C)=C1	REAL300002804171	0	52	0.0	-89.25	416.07	11.63	-77.62
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300002804177	1	45	0.0	-59.52	364.73	8.36	-51.16
CC1=CC(C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=CC(C)=C1	REAL300002804178	1	54	0.0	-58.45	422.14	11.23	-47.22
CC1=CC(C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=CC(C)=C1	REAL300002804178	1	54	0.0	-76.35	429.53	11.31	-65.04
CC1=CC(C)=CC(C(NC(=O)C[N@@H+](C)C2CCC2)C(=O)[O-])=C1	REAL300002804198	0	46	0.0	-56.70	361.60	9.28	-47.42
CC1=CC(C)=CC(C(NC(=O)C[N@H+](C)C2CCC2)C(=O)[O-])=C1	REAL300002804198	1	46	0.0	-57.64	361.50	9.26	-48.38
CC1=CC(C(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])=CC(C)=C1	REAL300002804227	0	51	0.0	-58.35	385.52	9.86	-48.49
CC1=CC(C(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-])=CC(C)=C1	REAL300002804227	1	51	0.0	-58.12	384.56	9.88	-48.24
CC1=CC(C)=CC(C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300002804229	0	52	0.0	-62.02	414.52	11.71	-50.31
CC1=CC(C)=CC(C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300002804229	1	52	0.0	-62.17	414.51	11.73	-50.44
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300002804230	0	56	0.0	-65.89	443.35	7.97	-57.92
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300002804230	1	56	0.0	-67.63	443.56	7.89	-59.74
CC1=CC(C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C(=O)[O-])=CC(C)=C1	REAL300002804234	0	50	0.0	-67.96	382.23	7.75	-60.21
CC1=CC(C(NC(=O)CC2(O)CCC[N@H+](C)C2)C(=O)[O-])=CC(C)=C1	REAL300002804234	1	50	0.0	-68.78	372.52	7.58	-61.20
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300002804246	0	54	0.0	-60.43	419.11	11.03	-49.40
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300002804246	1	54	0.0	-59.42	418.52	11.10	-48.32
CC1=CC(C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])=CC(C)=C1	REAL300002804260	1	41	0.0	-79.11	345.87	10.81	-68.30
CC1=CC(C)=CC(C(NC(=O)C[N@@H+](C)C2CCSC2)C(=O)[O-])=C1	REAL300002804274	0	47	0.0	-61.69	374.53	9.61	-52.08
CC1=CC(C)=CC(C(NC(=O)C[N@H+](C)C2CCSC2)C(=O)[O-])=C1	REAL300002804274	1	47	0.0	-64.33	374.71	9.51	-54.82
CC1=CC(C)=CC(C(NC(=O)CCN2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300002804289	0	57	0.0	-74.08	425.62	8.07	-66.01
CC1=CC(C)=CC(C(NC(=O)CC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])=C1	REAL300002804289	1	57	0.0	-65.72	427.10	8.25	-57.47
CC1=CC(C)=CC(C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300002804290	0	60	0.0	-72.97	452.23	9.26	-63.71
CC1=CC(C)=CC(C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])=C1	REAL300002804290	1	60	0.0	-70.80	448.59	9.04	-61.76
CC1=CC(C(NC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])=CC(C)=C1	REAL300002804291	0	50	0.0	-60.11	370.90	9.80	-50.31
CC1=CC(C(NC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])=CC(C)=C1	REAL300002804291	1	50	0.0	-53.31	380.11	10.12	-43.19
CC1=CC(C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C(=O)[O-])=CC(C)=C1	REAL300002804293	0	49	0.0	-82.92	399.72	8.78	-74.14
CC1=CC(C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C(=O)[O-])=CC(C)=C1	REAL300002804297	0	58	0.0	-68.84	447.98	10.69	-58.15
CC1=CC(C)=CC(C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(=O)[O-])=C1	REAL300002804299	0	55	0.0	-68.09	431.40	10.62	-57.47
CC1=CC(C)=CC(C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(=O)[O-])=C1	REAL300002804299	1	55	0.0	-69.92	431.38	10.62	-59.30
CC1=CC(C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])=CC(C)=C1	REAL300002804304	1	53	0.0	-56.41	413.54	11.73	-44.68
CC1=CC(C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])=CC(C)=C1	REAL300002804304	1	53	0.0	-56.19	410.24	11.85	-44.34
CC1=CC(C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300002804323	0	56	0.0	-74.21	440.19	12.58	-61.63
CC1=CC(C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300002804323	1	56	0.0	-74.17	440.60	12.61	-61.56
CC1=CC(C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C(=O)[O-])=CC(C)=C1	REAL300002804336	0	49	0.0	-89.93	399.88	8.88	-81.05
CC1=CC(C(NC(=O)C2=CC=NN2CC[NH+](C)C)C(=O)[O-])=CC(C)=C1	REAL300002804337	0	49	0.0	-61.05	395.65	8.80	-52.25
CC1=CC(C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(=O)[O-])=CC(C)=C1	REAL300002804339	0	46	0.0	-65.19	348.20	8.35	-56.84
CC1=CC(C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(=O)[O-])=CC(C)=C1	REAL300002804339	1	46	0.0	-70.92	357.68	8.59	-62.33
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300002804340	1	50	0.0	-61.93	401.14	10.57	-51.36
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC[N@@H+]1C	REAL300002804343	0	49	0.0	-67.86	372.12	9.04	-58.82
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC[N@H+]1C	REAL300002804343	1	49	0.0	-67.65	377.95	9.28	-58.37
CC1=CC(C(NC(=O)C2C[N@@H+](C)CC(C)O2)C(=O)[O-])=CC(C)=C1	REAL300002804353	1	47	0.0	-79.49	366.78	8.04	-71.45
CC1=CC(C(NC(=O)C2C[N@H+](C)CC(C)O2)C(=O)[O-])=CC(C)=C1	REAL300002804353	1	47	0.0	-54.90	366.82	8.32	-46.58
CC1=CC(C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300002804357	0	56	0.0	-68.13	436.74	12.75	-55.38
CC1=CC(C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300002804357	1	56	0.0	-70.08	442.92	12.54	-57.54
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300002804361	1	41	0.0	-58.97	344.60	8.98	-49.99
CC1=CC(C)=CC(C(NC(=O)C(C)C[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300002804363	0	50	0.0	-66.51	386.45	8.09	-58.42
CC1=CC(C)=CC(C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C(=O)[O-])=C1	REAL300002804364	0	57	0.0	-68.79	445.70	10.11	-58.68
CC1=CC(C)=CC(C(NC(=O)C[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300002804376	0	49	0.0	-59.54	378.39	9.78	-49.76
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C1	REAL300002804389	1	47	0.0	-66.24	362.85	8.27	-57.97
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C1	REAL300002804389	1	47	0.0	-53.09	362.65	8.27	-44.82
CC1=CC(C(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)C(=O)[O-])=CC(C)=C1	REAL300002804420	1	56	0.0	-80.26	432.32	10.77	-69.49
CC1=CC(C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])=CC(C)=C1	REAL300002804421	0	56	0.0	-67.36	420.49	11.21	-56.15
CC1=CC(C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])=CC(C)=C1	REAL300002804421	1	56	0.0	-67.94	420.67	11.13	-56.81
CC1=CC(C)=CC(C(NC(=O)CCC2CCC[N@H+]2C)C(=O)[O-])=C1	REAL300002804428	0	49	0.0	-68.62	378.76	9.70	-58.92
CC1=CC(C)=CC(C(NC(=O)CCC2CCC[N@@H+]2C)C(=O)[O-])=C1	REAL300002804428	1	49	0.0	-69.86	377.28	9.30	-60.56
CC1=CC(C(NC(=O)C2CCC3CCCC[N@@H+]32)C(=O)[O-])=CC(C)=C1	REAL300002804438	0	50	0.0	-56.47	382.68	10.18	-46.29
CC1=CC(C(NC(=O)C2CCC3CCCC[N@H+]32)C(=O)[O-])=CC(C)=C1	REAL300002804438	1	50	0.0	-56.38	382.93	10.28	-46.10
CC1=CC(C(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C(=O)[O-])=CC(C)=C1	REAL300002804450	0	58	0.0	-74.85	452.02	10.27	-64.58
CC1=CC(C(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C(=O)[O-])=CC(C)=C1	REAL300002804451	0	58	0.0	-82.18	451.55	10.26	-71.92
CC1=CC(C(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C(=O)[O-])=CC(C)=C1	REAL300002804451	1	58	0.0	-85.31	451.61	10.10	-75.21
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300002804453	0	59	0.0	-84.11	458.33	12.00	-72.11
CC1=CC(C)=CC(C(NC(=O)C2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300002804461	0	52	0.0	-71.10	390.02	9.95	-61.15
CC1=CC(C(NC(=O)C23CC[NH+](CC2)C3)C(=O)[O-])=CC(C)=C1	REAL300002804528	0	44	0.0	-71.38	347.00	7.80	-63.58
CC1=CC(C(NC(=O)C23CC[N@H+](C2)CCC3)C(=O)[O-])=CC(C)=C1	REAL300002804537	0	47	0.0	-69.67	357.09	8.56	-61.11
CC1=CC(C(NC(=O)C23CC[N@@H+](C2)CCC3)C(=O)[O-])=CC(C)=C1	REAL300002804537	1	47	0.0	-69.69	356.74	8.57	-61.12
CC1=CC(C)=CC(C(NC(=O)C[NH+]2C(C)CCC2C)C(=O)[O-])=C1	REAL300002804579	0	49	0.0	-56.62	372.56	9.30	-47.32
CC1=CC(C)=CC(C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])=C1	REAL300002804580	0	49	0.0	-77.62	393.54	10.77	-66.85
CC1=CC(C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300002804581	0	56	0.0	-65.61	435.95	12.52	-53.09
CC1=CC(C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300002804581	1	56	0.0	-65.26	436.46	12.46	-52.80
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300002804635	0	48	0.0	-74.20	384.66	10.10	-64.10
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300002804637	0	54	0.0	-75.45	412.82	7.79	-67.66
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300002804637	1	54	0.0	-66.46	413.99	7.93	-58.53
CC1=CC(C(NC(=O)CCN2C=C[NH+]=C2C(C)C)C(=O)[O-])=CC(C)=C1	REAL300002804644	1	50	0.0	-61.21	400.60	10.51	-50.70
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1)C1CC1	REAL300002804650	0	46	0.0	-54.93	360.43	9.16	-45.77
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC(C)=CC(C)=C1)C1CC1	REAL300002804650	1	46	0.0	-58.23	356.82	9.20	-49.03
CC1=CC(C)=CC(C(NC(=O)C(C)[NH+]2CCCCCC2)C(=O)[O-])=C1	REAL300002804677	0	52	0.0	-54.81	386.27	10.14	-44.67
CC1=CC(C)=CC(C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C(=O)[O-])=C1	REAL300002804715	1	54	0.0	-84.64	427.72	11.27	-73.37
CC1=CC(C)=CC(C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C(=O)[O-])=C1	REAL300002804715	1	54	0.0	-84.79	428.58	11.19	-73.60
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)O1	REAL300002804754	0	52	0.0	-79.21	411.28	10.18	-69.03
CC1=CC(C(NC(=O)CCCC[NH+]2CCCC2)C(=O)[O-])=CC(C)=C1	REAL300002804755	0	52	0.0	-72.55	406.51	10.67	-61.88
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C3=CC(C)=CC(C)=C3)CC2)[NH+]=C1	REAL300002804757	1	55	0.0	-72.82	429.17	10.43	-62.39
CC1=CC(C)=CC(C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300002804758	1	49	0.0	-61.30	391.44	10.93	-50.37
CC1=CC(C)=CC(C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300002804758	1	49	0.0	-62.51	392.04	10.89	-51.62
CC1=CC(C)=CC(C(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])=C1	REAL300002804782	1	44	0.0	-80.09	374.73	8.73	-71.36
CC1=CC(C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C(=O)[O-])=CC(C)=C1	REAL300002804805	1	45	0.0	-80.68	373.89	8.38	-72.30
CC1=CC(C)=CC(C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1	REAL300002804809	0	56	0.0	-69.08	436.28	12.34	-56.74
CC1=CC(C)=CC(C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1	REAL300002804809	1	56	0.0	-69.72	434.46	12.24	-57.48
CC1=CC(C)=CC(C(NC(=O)C2CCC[N@H+]2C(C)C)C(=O)[O-])=C1	REAL300002804824	0	49	0.0	-55.66	360.12	9.12	-46.54
CC1=CC(C)=CC(C(NC(=O)C2CCC[N@@H+]2C(C)C)C(=O)[O-])=C1	REAL300002804824	1	49	0.0	-62.07	365.92	9.95	-52.12
CC1=CC(C)=CC(C(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300002804832	0	57	0.0	-85.65	457.91	11.75	-73.90
CC1=CC(C)=CC(C(NC(=O)COC2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300002804845	0	50	0.0	-79.46	395.14	9.45	-70.01
CC1=CC(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(=O)[O-])=CC(C)=C1	REAL300002804850	0	53	0.0	-78.99	420.27	10.94	-68.05
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C1	REAL300002805004	0	52	0.0	-55.56	390.85	10.52	-45.04
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C1	REAL300002805004	1	52	0.0	-67.22	399.15	10.30	-56.92
CC1=CC(C)=CC(C(NC(=O)C[NH+]2CCC(CO)CC2)C(=O)[O-])=C1	REAL300002805031	1	50	0.0	-59.82	389.22	6.47	-53.35
CC1=CC(C)=CC(C(NC(=O)C2CCC[N@@H+](C(C)C)C2)C(=O)[O-])=C1	REAL300002805219	0	52	0.0	-63.82	393.67	10.12	-53.70
CC1=CC(C)=CC(C(NC(=O)C2CCC[N@H+](C(C)C)C2)C(=O)[O-])=C1	REAL300002805219	1	52	0.0	-64.54	394.29	10.08	-54.46
CC1=CC(C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(=O)[O-])=CC(C)=C1	REAL300002805220	0	46	0.0	-74.10	366.05	9.74	-64.36
CC1=CC(C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C(=O)[O-])=CC(C)=C1	REAL300002805220	1	46	0.0	-77.34	362.51	9.09	-68.25
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)N1	REAL300002805243	1	47	0.0	-61.55	385.42	8.64	-52.91
CC1=CC(C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(=O)[O-])=CC(C)=C1	REAL300002805647	0	52	0.0	-80.58	416.03	11.61	-68.97
CC1=CC(C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])=CC(C)=C1	REAL300002805655	0	53	0.0	-85.67	423.13	10.64	-75.03
CC1=CC(C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])=CC(C)=C1	REAL300002805745	0	59	0.0	-70.28	454.89	13.30	-56.98
CC1=CC(C(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C(=O)[O-])=CC(C)=C1	REAL300002805747	1	57	0.0	-86.51	440.90	10.95	-75.56
CC1=CC(C(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C(=O)[O-])=CC(C)=C1	REAL300002805747	1	57	0.0	-86.86	440.74	11.02	-75.84
CC1=CC(C)=CC(C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C(=O)[O-])=C1	REAL300002805775	0	46	0.0	-72.03	365.14	9.01	-63.02
CC1=CC(C)=CC(C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(=O)[O-])=C1	REAL300002805779	0	52	0.0	-56.85	384.94	9.97	-46.88
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3=CC(C)=CC(C)=C3)=CN21	REAL300002805783	0	44	0.0	-68.01	367.02	10.57	-57.44
CC1=CC(C)=CC(C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)C(=O)[O-])=C1	REAL300002805834	0	55	0.0	-58.91	410.11	11.26	-47.65
CC1=CC(C)=CC(C(NC(=O)C2CCC[N@H+](CC(C)C)C2)C(=O)[O-])=C1	REAL300002805834	1	55	0.0	-58.37	410.37	11.20	-47.17
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C1	REAL300002805835	0	49	0.0	-66.93	377.65	9.57	-57.36
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC(C)=CC(C)=C2)C1	REAL300002805835	1	49	0.0	-57.94	370.75	9.82	-48.12
CC1=CC(C)=CC(C(NC(=O)C2CCC[N@@H+](C)C2)C(=O)[O-])=C1	REAL300002805839	0	46	0.0	-57.18	353.70	9.11	-48.07
CC1=CC(C)=CC(C(NC(=O)C2CCC[N@H+](C)C2)C(=O)[O-])=C1	REAL300002805839	1	46	0.0	-69.54	359.95	8.89	-60.65
CC1=CC(C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C(=O)[O-])=CC(C)=C1	REAL300002805841	1	46	0.0	-81.46	379.72	9.16	-72.30
CC1=CC(C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(=O)[O-])=CC(C)=C1	REAL300002805849	0	48	0.0	-64.34	379.29	9.90	-54.44
CC1=CC(C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(=O)[O-])=CC(C)=C1	REAL300002805849	1	48	0.0	-61.47	379.12	10.04	-51.43
COC1=CC=C(C(NC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1Cl	REAL300002807283	0	48	0.0	-67.60	387.30	8.76	-58.84
COC1=CC=C(C(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)C(=O)[O-])C=C1Cl	REAL300002807306	1	46	0.0	-62.11	385.75	8.54	-53.57
COC1=CC=C(C(NC(=O)C[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300002807359	0	37	0.0	-60.58	317.87	5.89	-54.69
COC1=CC=C(C(NC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])C=C1Cl	REAL300002807360	1	49	0.0	-68.69	391.14	5.73	-62.96
COC1=CC=C(C(NC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])C=C1Cl	REAL300002807387	0	44	0.0	-62.32	350.72	7.23	-55.09
COC1=CC=C(C(NC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])C=C1Cl	REAL300002807387	1	44	0.0	-54.43	359.86	7.49	-46.94
COC1=CC=C(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1Cl	REAL300002807427	0	44	0.0	-68.68	362.07	7.53	-61.15
COC1=CC=C(C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])C=C1Cl	REAL300002807454	0	39	0.0	-67.78	347.64	9.39	-58.39
COC1=CC=C(C(NC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])C=C1Cl	REAL300002807478	0	53	0.0	-53.54	397.01	9.27	-44.27
COC1=CC=C(C(NC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])C=C1Cl	REAL300002807482	0	53	0.0	-65.89	416.27	9.48	-56.41
COC1=CC=C(C(NC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])C=C1Cl	REAL300002807482	1	53	0.0	-66.51	416.28	9.47	-57.04
COC1=CC=C(C(NC(=O)C2CCC[N@@H+]2C)C(=O)[O-])C=C1Cl	REAL300002807494	0	41	0.0	-53.90	343.97	6.86	-47.04
COC1=CC=C(C(NC(=O)C2CCC[N@H+]2C)C(=O)[O-])C=C1Cl	REAL300002807494	1	41	0.0	-54.03	343.55	6.85	-47.18
COC1=CC=C(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1Cl	REAL300002807537	0	44	0.0	-68.68	362.07	7.53	-61.15
COC1=CC=C(C(NC(=O)CCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1Cl	REAL300002807571	1	45	0.0	-67.02	388.82	8.79	-58.23
COC1=CC=C(C(NC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])C=C1Cl	REAL300002807572	1	51	0.0	-74.19	416.13	7.47	-66.72
COC1=CC=C(C(NC(=O)[C@H](C)[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300002807576	0	40	0.0	-58.74	335.98	6.24	-52.50
COC1=CC=C(C(NC(=O)[C@H]2CCC[N@@H+]2C)C(=O)[O-])C=C1Cl	REAL300002807577	0	41	0.0	-57.00	344.18	6.97	-50.03
COC1=CC=C(C(NC(=O)[C@H]2CCC[N@H+]2C)C(=O)[O-])C=C1Cl	REAL300002807577	1	41	0.0	-62.42	338.13	6.36	-56.06
COC1=CC=C(C(NC(=O)[C@@H](C)[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300002807580	0	40	0.0	-58.74	336.29	6.23	-52.51
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1)[NH+](CC)CC	REAL300002807633	0	49	0.0	-53.54	384.37	8.17	-45.37
COC1=CC=C(C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300002807635	0	50	0.0	-55.01	412.63	9.88	-45.13
COC1=CC=C(C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300002807635	1	50	0.0	-59.00	412.97	9.85	-49.15
COC1=CC=C(C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])C=C1Cl	REAL300002807648	0	46	0.0	-76.43	392.08	7.44	-68.99
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300002807650	0	55	0.0	-68.97	440.66	10.02	-58.95
COC1=CC=C(C(NC(=O)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1Cl	REAL300002807651	1	42	0.0	-51.53	348.32	6.13	-45.40
COC1=CC=C(C(NC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1Cl	REAL300002807651	1	42	0.0	-55.64	348.39	6.10	-49.54
COC1=CC=C(C(NC(=O)CN2C=C[NH+]=C2C(C)C)C(=O)[O-])C=C1Cl	REAL300002807659	1	45	0.0	-54.81	383.12	8.62	-46.19
COC1=CC=C(C(NC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])C=C1Cl	REAL300002807672	0	44	0.0	-66.17	370.81	7.61	-58.56
COC1=CC=C(C(NC(=O)CCCC[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300002807677	0	46	0.0	-73.30	383.23	8.02	-65.28
COC1=CC=C(C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])C=C1Cl	REAL300002807696	1	47	0.0	-77.03	401.30	7.98	-69.05
COC1=CC=C(C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1Cl	REAL300002807697	0	50	0.0	-83.23	418.73	10.17	-73.06
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300002807701	1	43	0.0	-58.75	367.17	6.97	-51.78
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300002807705	0	43	0.0	-57.40	357.31	7.25	-50.15
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300002807705	1	43	0.0	-57.34	357.35	7.24	-50.10
COC1=CC=C(C(NC(=O)C[N@H+](C)C2CCC2)C(=O)[O-])C=C1Cl	REAL300002807718	0	44	0.0	-54.58	363.61	7.86	-46.72
COC1=CC=C(C(NC(=O)C[N@@H+](C)C2CCC2)C(=O)[O-])C=C1Cl	REAL300002807718	1	44	0.0	-54.62	364.30	7.81	-46.81
COC1=CC=C(C(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-])C=C1Cl	REAL300002807736	0	49	0.0	-55.37	388.02	8.46	-46.91
COC1=CC=C(C(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])C=C1Cl	REAL300002807736	1	49	0.0	-56.03	385.72	8.31	-47.72
COC1=CC=C(C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300002807738	0	50	0.0	-59.08	416.62	10.32	-48.76
COC1=CC=C(C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300002807738	1	50	0.0	-59.15	416.62	10.32	-48.83
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1)[NH+](C)C	REAL300002807740	0	43	0.0	-56.79	348.51	6.85	-49.94
COC1=CC=C(C(NC(=O)CC2(O)CCC[N@H+](C)C2)C(=O)[O-])C=C1Cl	REAL300002807742	0	48	0.0	-61.77	388.18	6.24	-55.53
COC1=CC=C(C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C(=O)[O-])C=C1Cl	REAL300002807742	1	48	0.0	-67.72	385.53	6.24	-61.48
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300002807753	0	52	0.0	-57.30	421.20	9.64	-47.66
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300002807753	1	52	0.0	-58.27	421.81	9.59	-48.68
COC1=CC=C(C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])C=C1Cl	REAL300002807768	1	39	0.0	-74.17	347.92	9.39	-64.78
COC1=CC=C(C(NC(=O)C[N@H+](C)C2CCSC2)C(=O)[O-])C=C1Cl	REAL300002807776	0	45	0.0	-59.48	376.77	8.13	-51.35
COC1=CC=C(C(NC(=O)C[N@@H+](C)C2CCSC2)C(=O)[O-])C=C1Cl	REAL300002807776	1	45	0.0	-62.61	377.60	8.04	-54.57
COC1=CC=C(C(NC(=O)CCN2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1Cl	REAL300002807790	0	55	0.0	-67.32	432.83	7.05	-60.27
COC1=CC=C(C(NC(=O)CC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])C=C1Cl	REAL300002807790	1	55	0.0	-62.60	429.65	6.88	-55.72
COC1=CC=C(C(NC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])C=C1Cl	REAL300002807791	0	48	0.0	-54.56	382.54	8.66	-45.90
COC1=CC=C(C(NC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])C=C1Cl	REAL300002807791	1	48	0.0	-51.86	382.24	8.75	-43.11
COC1=CC=C(C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C(=O)[O-])C=C1Cl	REAL300002807792	0	47	0.0	-79.91	402.41	7.31	-72.60
COC1=CC=C(C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1Cl	REAL300002807820	0	47	0.0	-84.19	402.58	7.41	-76.78
COC1=CC=C(C(NC(=O)C2=CC=NN2CC[NH+](C)C)C(=O)[O-])C=C1Cl	REAL300002807821	0	47	0.0	-58.01	398.20	7.34	-50.67
COC1=CC=C(C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(=O)[O-])C=C1Cl	REAL300002807823	0	44	0.0	-64.96	350.85	6.88	-58.08
COC1=CC=C(C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(=O)[O-])C=C1Cl	REAL300002807823	1	44	0.0	-66.65	357.01	7.03	-59.62
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300002807824	1	48	0.0	-59.49	404.08	9.03	-50.46
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)CC[N@@H+]1C	REAL300002807827	0	47	0.0	-64.14	374.90	7.57	-56.57
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)CC[N@H+]1C	REAL300002807827	1	47	0.0	-62.60	378.89	8.09	-54.51
COC1=CC=C(C(NC(=O)C2C[N@H+](C)CC(C)O2)C(=O)[O-])C=C1Cl	REAL300002807834	1	45	0.0	-74.02	370.02	6.98	-67.04
COC1=CC=C(C(NC(=O)C2C[N@@H+](C)CC(C)O2)C(=O)[O-])C=C1Cl	REAL300002807834	1	45	0.0	-73.51	369.31	7.03	-66.48
COC1=CC=C(C(NC(=O)C[NH+]2CCCC2)C(=O)[O-])C=C1Cl	REAL300002807839	0	41	0.0	-55.79	343.32	7.04	-48.75
COC1=CC=C(C(NC(=O)CN2C=C[NH+]=C2C)C(=O)[O-])C=C1Cl	REAL300002807841	1	39	0.0	-54.82	346.90	7.50	-47.32
COC1=CC=C(C(NC(=O)C(C)C[NH+]2CCOCC2)C(=O)[O-])C=C1Cl	REAL300002807843	0	48	0.0	-64.11	389.37	6.55	-57.56
COC1=CC=C(C(NC(=O)C[NH+]2CCC(C)CC2)C(=O)[O-])C=C1Cl	REAL300002807862	0	47	0.0	-59.95	381.06	8.32	-51.63
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)C1	REAL300002807873	1	45	0.0	-66.29	373.03	7.00	-59.29
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)C1	REAL300002807873	1	45	0.0	-51.66	366.20	6.74	-44.92
COC1=CC=C(C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])C=C1Cl	REAL300002807899	0	54	0.0	-59.09	422.95	9.80	-49.29
COC1=CC=C(C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])C=C1Cl	REAL300002807899	1	54	0.0	-67.48	423.39	9.68	-57.80
COC1=CC=C(C(NC(=O)CCC2CCC[N@@H+]2C)C(=O)[O-])C=C1Cl	REAL300002807904	0	47	0.0	-65.40	380.02	7.83	-57.57
COC1=CC=C(C(NC(=O)CCC2CCC[N@H+]2C)C(=O)[O-])C=C1Cl	REAL300002807904	1	47	0.0	-68.28	381.46	8.22	-60.06
COC1=CC=C(C(NC(=O)C2CCC3CCCC[N@@H+]32)C(=O)[O-])C=C1Cl	REAL300002807913	0	48	0.0	-56.81	385.92	8.80	-48.01
COC1=CC=C(C(NC(=O)C2CCC3CCCC[N@H+]32)C(=O)[O-])C=C1Cl	REAL300002807913	1	48	0.0	-56.32	378.59	8.38	-47.94
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300002807932	0	43	0.0	-58.52	353.96	7.24	-51.28
COC1=CC=C(C(NC(=O)C2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1Cl	REAL300002807934	0	50	0.0	-64.92	392.74	8.47	-56.45
COC1=CC=C(C(NC(=O)C23CC[NH+](CC2)C3)C(=O)[O-])C=C1Cl	REAL300002807998	0	42	0.0	-70.68	349.70	6.33	-64.35
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1)[NH+](C)C	REAL300002808001	0	43	0.0	-62.67	350.71	6.96	-55.71
COC1=CC=C(C(NC(=O)C23CC[N@H+](C2)CCC3)C(=O)[O-])C=C1Cl	REAL300002808008	0	45	0.0	-70.39	359.90	7.00	-63.39
COC1=CC=C(C(NC(=O)C23CC[N@@H+](C2)CCC3)C(=O)[O-])C=C1Cl	REAL300002808008	1	45	0.0	-70.58	359.68	7.02	-63.56
COC1=CC=C(C(NC(=O)C[NH+]2C(C)CCC2C)C(=O)[O-])C=C1Cl	REAL300002808040	0	47	0.0	-53.68	375.12	7.72	-45.96
COC1=CC=C(C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])C=C1Cl	REAL300002808041	0	47	0.0	-74.05	396.24	9.32	-64.73
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)CC1	REAL300002808080	0	46	0.0	-70.52	387.35	8.63	-61.89
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)CC1	REAL300002808082	0	52	0.0	-71.20	414.92	6.38	-64.82
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)CC1	REAL300002808082	1	52	0.0	-66.17	416.72	6.46	-59.71
COC1=CC=C(C(NC(=O)C[N@H+](C)C(C)C)C(=O)[O-])C=C1Cl	REAL300002808083	0	43	0.0	-54.65	352.55	7.01	-47.64
COC1=CC=C(C(NC(=O)C[N@@H+](C)C(C)C)C(=O)[O-])C=C1Cl	REAL300002808083	1	43	0.0	-53.69	351.91	7.09	-46.60
COC1=CC=C(C(NC(=O)CCN2C=C[NH+]=C2C(C)C)C(=O)[O-])C=C1Cl	REAL300002808087	1	48	0.0	-60.57	403.27	9.03	-51.54
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1)C1CC1	REAL300002808093	0	44	0.0	-54.28	363.84	7.84	-46.44
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1)C1CC1	REAL300002808093	1	44	0.0	-55.42	364.51	7.85	-47.57
COC1=CC=C(C(NC(=O)C(C)[NH+]2CCCCCC2)C(=O)[O-])C=C1Cl	REAL300002808109	0	50	0.0	-55.91	382.57	8.52	-47.39
COC1=CC=C(C(NC(=O)[C@@H]2CCC[N@@H+]2C)C(=O)[O-])C=C1Cl	REAL300002808112	0	41	0.0	-62.44	338.08	6.36	-56.08
COC1=CC=C(C(NC(=O)[C@@H]2CCC[N@H+]2C)C(=O)[O-])C=C1Cl	REAL300002808112	1	41	0.0	-54.64	343.80	6.77	-47.87
COC1=CC=C(C(NC(=O)C[NH2+]C(C)(C)C)C(=O)[O-])C=C1Cl	REAL300002808163	0	43	0.0	-58.13	357.06	5.53	-52.60
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)O1	REAL300002808164	0	50	0.0	-72.96	418.08	9.09	-63.87
COC1=CC=C(C(NC(=O)CCCC[NH+]2CCCC2)C(=O)[O-])C=C1Cl	REAL300002808165	0	50	0.0	-69.06	408.81	9.19	-59.87
COC1=CC=C(C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300002808167	1	47	0.0	-60.43	394.80	9.42	-51.01
COC1=CC=C(C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300002808167	1	47	0.0	-59.68	394.54	9.49	-50.19
COC1=CC=C(C(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])C=C1Cl	REAL300002808189	1	42	0.0	-78.21	377.16	7.33	-70.88
COC1=CC=C(C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C(=O)[O-])C=C1Cl	REAL300002808201	1	43	0.0	-79.00	375.97	6.87	-72.13
COC1=CC=C(C(NC(=O)C2CCC[N@@H+]2C(C)C)C(=O)[O-])C=C1Cl	REAL300002808212	0	47	0.0	-58.90	368.84	8.48	-50.42
COC1=CC=C(C(NC(=O)C2CCC[N@H+]2C(C)C)C(=O)[O-])C=C1Cl	REAL300002808212	1	47	0.0	-60.15	370.34	8.14	-52.01
COC1=CC=C(C(NC(=O)COC2CC[NH+](C)CC2)C(=O)[O-])C=C1Cl	REAL300002808227	0	48	0.0	-75.53	398.04	7.92	-67.61
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)C1	REAL300002808338	0	50	0.0	-57.95	395.62	9.03	-48.92
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)C1	REAL300002808338	1	50	0.0	-56.10	395.36	9.12	-46.98
COC1=CC=C(C(NC(=O)C[NH+]2CCC(CO)CC2)C(=O)[O-])C=C1Cl	REAL300002808355	1	48	0.0	-57.89	391.92	5.00	-52.89
COC1=CC=C(C(NC(=O)C2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C=C1Cl	REAL300002808491	0	50	0.0	-64.97	397.01	8.61	-56.36
COC1=CC=C(C(NC(=O)C2CCC[N@H+](C(C)C)C2)C(=O)[O-])C=C1Cl	REAL300002808491	1	50	0.0	-63.80	397.02	8.61	-55.19
COC1=CC=C(C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C(=O)[O-])C=C1Cl	REAL300002808492	0	44	0.0	-60.60	374.86	7.37	-53.23
COC1=CC=C(C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(=O)[O-])C=C1Cl	REAL300002808492	1	44	0.0	-71.96	381.47	7.63	-64.33
COC1=CC=C(C(NC(=O)CCC2=[NH+]C(C)=C(C)N2)C(=O)[O-])C=C1Cl	REAL300002808513	1	45	0.0	-58.54	387.72	7.16	-51.38
COC1=CC=C(C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(=O)[O-])C=C1Cl	REAL300002808815	0	50	0.0	-76.97	418.73	10.16	-66.81
COC1=CC=C(C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C(=O)[O-])C=C1Cl	REAL300002808914	0	44	0.0	-64.54	367.66	7.56	-56.98
COC1=CC=C(C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(=O)[O-])C=C1Cl	REAL300002808918	0	50	0.0	-55.76	390.42	8.53	-47.23
COC1=CC=C(C(NC(=O)C2=CN3C(C)=[NH+]C=C3C=C2)C(=O)[O-])C=C1Cl	REAL300002808921	0	42	0.0	-64.50	369.72	9.11	-55.39
COC1=CC=C(C(NC(=O)C2CCC[N@H+](CC(C)C)C2)C(=O)[O-])C=C1Cl	REAL300002808960	0	53	0.0	-56.68	412.12	9.78	-46.90
COC1=CC=C(C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)C(=O)[O-])C=C1Cl	REAL300002808960	1	53	0.0	-64.87	419.05	9.58	-55.29
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)C1	REAL300002808961	0	47	0.0	-65.73	380.15	8.16	-57.57
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)C1	REAL300002808961	1	47	0.0	-64.48	380.36	8.09	-56.39
COC1=CC=C(C(NC(=O)C2CCC[N@H+](C)C2)C(=O)[O-])C=C1Cl	REAL300002808966	0	44	0.0	-66.30	362.44	7.50	-58.80
COC1=CC=C(C(NC(=O)C2CCC[N@@H+](C)C2)C(=O)[O-])C=C1Cl	REAL300002808966	1	44	0.0	-56.55	356.20	7.72	-48.83
COC1=CC=C(C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C(=O)[O-])C=C1Cl	REAL300002808968	1	44	0.0	-76.22	381.38	7.60	-68.62
COC1=CC=C(C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(=O)[O-])C=C1Cl	REAL300002808976	1	46	0.0	-62.16	368.76	8.19	-53.97
COC1=CC=C(C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(=O)[O-])C=C1Cl	REAL300002808976	1	46	0.0	-59.56	382.15	8.52	-51.04
CC1=CC=CC(C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])=C1C	REAL300002809982	0	56	0.0	-76.67	422.72	12.24	-64.43
CC1=CC=CC(C(NC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])=C1C	REAL300002811265	0	50	0.0	-70.62	372.84	9.96	-60.66
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=C(C)C(C)=CC=C3)CN21	REAL300002811291	1	48	0.0	-61.92	370.61	9.79	-52.13
CC1=CC=CC(C(NC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])=C1C	REAL300002811358	1	51	0.0	-70.93	375.86	6.83	-64.10
CC1=CC=CC(C(NC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])=C1C	REAL300002811392	0	46	0.0	-59.30	346.56	8.65	-50.65
CC1=CC=CC(C(NC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])=C1C	REAL300002811392	1	46	0.0	-58.10	338.72	8.53	-49.57
CC1=CC=CC(C(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])=C1C	REAL300002811432	0	59	0.0	-79.11	455.70	11.76	-67.35
CC1=CC=CC(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])=C1C	REAL300002811465	0	46	0.0	-75.16	350.01	8.74	-66.42
CC1=CC=CC(C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])=C1C	REAL300002811490	0	41	0.0	-70.49	331.79	10.53	-59.96
CC1=CC=CC(C(NC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])=C1C	REAL300002811519	0	55	0.0	-72.15	387.71	10.64	-61.51
CC1=CC=CC(C(NC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])=C1C	REAL300002811523	0	55	0.0	-65.64	400.43	10.61	-55.03
CC1=CC=CC(C(NC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])=C1C	REAL300002811523	1	55	0.0	-65.95	400.98	10.56	-55.39
CC1=CC=CC(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])=C1C	REAL300002811580	0	46	0.0	-75.16	350.01	8.74	-66.42
CC1=CC=CC(C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(=O)[O-])=C1C	REAL300002811583	0	49	0.0	-72.30	392.75	9.97	-62.33
CC1=CC=CC(C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C(=O)[O-])=C1C	REAL300002811598	0	57	0.0	-78.66	417.16	9.36	-69.30
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=C(C)C(C)=CC=C1	REAL300002811627	1	47	0.0	-66.85	373.56	9.89	-56.96
CC1=CC=CC(C(NC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])=C1C	REAL300002811628	1	53	0.0	-75.10	401.52	8.59	-66.51
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C=C1)C(C)C	REAL300002811630	0	58	0.0	-83.14	421.90	11.93	-71.21
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C=C1)C(C)C	REAL300002811630	1	58	0.0	-80.08	420.09	11.66	-68.42
CC1=CC=CC(C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1C	REAL300002811667	0	53	0.0	-66.84	407.93	11.46	-55.38
CC1=CC=CC(C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1C	REAL300002811667	1	53	0.0	-65.60	407.10	11.49	-54.11
CC1=CC=CC(C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C(=O)[O-])=C1C	REAL300002811668	0	54	0.0	-78.09	409.24	10.98	-67.11
CC1=CC=CC(C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C(=O)[O-])=C1C	REAL300002811696	0	57	0.0	-67.35	399.35	8.82	-58.53
CCC(C(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C)[NH+](CC)CC	REAL300002811700	0	51	0.0	-54.84	369.06	9.36	-45.48
CC1=CC=CC(C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300002811702	0	52	0.0	-61.06	397.34	10.98	-50.08
CC1=CC=CC(C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300002811702	1	52	0.0	-60.08	396.52	11.04	-49.04
CC1=CC=CC(C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C(=O)[O-])=C1C	REAL300002811711	0	59	0.0	-56.22	441.38	13.54	-42.68
CC1=CC=CC(C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C(=O)[O-])=C1C	REAL300002811711	1	59	0.0	-61.26	443.56	13.36	-47.90
CC1=CC=CC(C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])=C1C	REAL300002811724	0	48	0.0	-77.73	375.95	8.66	-69.07
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300002811730	0	57	0.0	-68.85	425.81	11.24	-57.61
CC1=CC=CC(C(NC(=O)C2C[N@H+](C)CCO2)C(=O)[O-])=C1C	REAL300002811732	1	44	0.0	-73.20	340.69	7.45	-65.75
CC1=CC=CC(C(NC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])=C1C	REAL300002811732	1	44	0.0	-78.07	340.64	7.45	-70.62
CC1=CC=CC(C(NC(=O)CN2C=C[NH+]=C2C(C)C)C(=O)[O-])=C1C	REAL300002811740	1	47	0.0	-57.76	368.24	9.72	-48.04
CC1=CC=CC(C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(=O)[O-])=C1C	REAL300002811755	0	53	0.0	-82.62	404.59	11.65	-70.97
CC1=CC=CC(C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(=O)[O-])=C1C	REAL300002811761	0	56	0.0	-75.94	422.32	12.32	-63.62
CC1=CC=CC(C(NC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])=C1C	REAL300002811767	0	46	0.0	-69.11	356.64	8.85	-60.26
CC1=CC=CC(C(NC(=O)CCCC[NH+](C)C)C(=O)[O-])=C1C	REAL300002811776	0	48	0.0	-73.69	368.80	9.21	-64.48
CC1=CC=CC(C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1C	REAL300002811786	1	57	0.0	-82.02	434.16	11.36	-70.66
CC1=CC=CC(C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1C	REAL300002811786	1	57	0.0	-78.62	432.94	11.55	-67.07
CC1=C(C(=O)NC(C(=O)[O-])C2=C(C)C(C)=CC=C2)C=NN1C1=CC=[NH+]C=C1	REAL300002811798	1	47	0.0	-81.09	379.12	8.99	-72.10
CC1=CC=CC(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])=C1C	REAL300002811801	0	56	0.0	-82.99	421.34	12.36	-70.63
CC1=CC=CC(C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])=C1C	REAL300002811813	1	49	0.0	-78.17	386.54	9.21	-68.96
CC1=CC=CC(C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])=C1C	REAL300002811814	0	52	0.0	-87.38	403.23	11.32	-76.06
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300002811820	1	45	0.0	-58.92	354.27	8.15	-50.77
CC1=CC=CC(C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1C	REAL300002811821	1	54	0.0	-54.92	411.59	11.18	-43.74
CC1=CC=CC(C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1C	REAL300002811821	1	54	0.0	-69.47	419.47	11.11	-58.36
CC1=CC=CC(C(NC(=O)C[N@@H+](C)C2CCC2)C(=O)[O-])=C1C	REAL300002811841	0	46	0.0	-56.26	349.55	9.06	-47.20
CC1=CC=CC(C(NC(=O)C[N@H+](C)C2CCC2)C(=O)[O-])=C1C	REAL300002811841	1	46	0.0	-55.93	347.75	9.00	-46.93
CC1=CC=CC(C(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])=C1C	REAL300002811870	0	51	0.0	-57.59	370.56	9.48	-48.11
CC1=CC=CC(C(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-])=C1C	REAL300002811870	1	51	0.0	-58.59	372.37	9.53	-49.06
CC1=CC=CC(C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300002811872	0	52	0.0	-60.31	400.77	11.46	-48.85
CC1=CC=CC(C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300002811872	1	52	0.0	-61.82	404.57	11.51	-50.31
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300002811873	0	56	0.0	-65.77	430.17	7.64	-58.13
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300002811873	1	56	0.0	-67.05	430.75	7.61	-59.44
CC1=CC=CC(C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C(=O)[O-])=C1C	REAL300002811877	0	50	0.0	-68.22	372.77	7.53	-60.69
CC1=CC=CC(C(NC(=O)CC2(O)CCC[N@H+](C)C2)C(=O)[O-])=C1C	REAL300002811877	1	50	0.0	-67.56	360.04	7.26	-60.30
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300002811889	0	54	0.0	-59.91	406.31	10.74	-49.17
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300002811889	1	54	0.0	-60.13	409.16	10.83	-49.30
CC1=CC=CC(C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])=C1C	REAL300002811903	1	41	0.0	-78.64	335.87	10.59	-68.05
CC1=CC=CC(C(NC(=O)C[N@@H+](C)C2CCSC2)C(=O)[O-])=C1C	REAL300002811917	0	47	0.0	-60.07	361.10	9.25	-50.82
CC1=CC=CC(C(NC(=O)C[N@H+](C)C2CCSC2)C(=O)[O-])=C1C	REAL300002811917	1	47	0.0	-60.80	360.91	9.27	-51.53
CC1=CC=CC(C(NC(=O)CCN2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1C	REAL300002811932	0	57	0.0	-71.96	418.77	8.25	-63.71
CC1=CC=CC(C(NC(=O)CC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])=C1C	REAL300002811932	1	57	0.0	-65.64	414.76	7.98	-57.66
CC1=CC=CC(C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1C	REAL300002811933	0	60	0.0	-71.56	438.86	9.00	-62.56
CC1=CC=CC(C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])=C1C	REAL300002811933	1	60	0.0	-69.77	435.75	8.75	-61.02
CC1=CC=CC(C(NC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])=C1C	REAL300002811934	0	50	0.0	-51.58	366.71	9.88	-41.70
CC1=CC=CC(C(NC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])=C1C	REAL300002811934	1	50	0.0	-56.86	359.40	9.56	-47.30
CC1=CC=CC(C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C(=O)[O-])=C1C	REAL300002811936	0	49	0.0	-82.24	389.74	8.57	-73.67
CC1=CC=CC(C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C(=O)[O-])=C1C	REAL300002811940	0	58	0.0	-69.13	435.39	10.32	-58.81
CC1=CC=CC(C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(=O)[O-])=C1C	REAL300002811942	0	55	0.0	-67.10	413.06	10.63	-56.47
CC1=CC=CC(C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(=O)[O-])=C1C	REAL300002811942	1	55	0.0	-67.53	418.54	10.31	-57.22
CC1=CC=CC(C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])=C1C	REAL300002811947	1	53	0.0	-57.76	398.05	11.48	-46.28
CC1=CC=CC(C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])=C1C	REAL300002811947	1	53	0.0	-62.82	404.62	11.30	-51.52
CC1=CC=CC(C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1C	REAL300002811966	0	56	0.0	-75.31	430.31	12.16	-63.15
CC1=CC=CC(C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1C	REAL300002811966	1	56	0.0	-73.99	427.66	12.23	-61.76
CC1=CC=CC(C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C(=O)[O-])=C1C	REAL300002811979	0	49	0.0	-87.01	386.73	8.54	-78.47
CC1=CC=CC(C(NC(=O)C2=CC=NN2CC[NH+](C)C)C(=O)[O-])=C1C	REAL300002811980	0	49	0.0	-57.81	384.21	8.76	-49.05
CC1=CC=CC(C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(=O)[O-])=C1C	REAL300002811982	0	46	0.0	-69.09	339.36	8.19	-60.90
CC1=CC=CC(C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(=O)[O-])=C1C	REAL300002811982	1	46	0.0	-71.11	345.48	8.21	-62.90
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C	REAL300002811983	1	50	0.0	-61.52	388.52	10.18	-51.34
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC[N@@H+]1C	REAL300002811986	0	49	0.0	-66.81	360.24	8.81	-58.00
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC[N@H+]1C	REAL300002811986	1	49	0.0	-68.98	364.15	9.00	-59.98
CC1=CC=CC(C(NC(=O)C2C[N@@H+](C)CC(C)O2)C(=O)[O-])=C1C	REAL300002811996	1	47	0.0	-77.79	355.10	8.16	-69.63
CC1=CC=CC(C(NC(=O)C2C[N@H+](C)CC(C)O2)C(=O)[O-])=C1C	REAL300002811996	1	47	0.0	-73.16	361.93	8.28	-64.88
CC1=CC=CC(C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C(=O)[O-])=C1C	REAL300002812000	0	56	0.0	-66.28	423.61	12.49	-53.79
CC1=CC=CC(C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C(=O)[O-])=C1C	REAL300002812000	1	56	0.0	-67.23	430.77	12.25	-54.98
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=C(C)C(C)=CC=C1	REAL300002812004	1	41	0.0	-57.66	332.02	8.60	-49.06
CC1=CC=CC(C(NC(=O)C(C)C[NH+]2CCOCC2)C(=O)[O-])=C1C	REAL300002812006	0	50	0.0	-65.55	373.31	7.76	-57.79
CC1=CC=CC(C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C(=O)[O-])=C1C	REAL300002812007	0	57	0.0	-67.59	432.18	9.77	-57.82
CC1=CC=CC(C(NC(=O)C[NH+]2CCC(C)CC2)C(=O)[O-])=C1C	REAL300002812019	0	49	0.0	-58.08	364.97	9.54	-48.54
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C1	REAL300002812032	1	47	0.0	-52.59	352.25	8.04	-44.55
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C1	REAL300002812032	1	47	0.0	-70.69	362.45	8.01	-62.68
CC1=CC=CC(C(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)C(=O)[O-])=C1C	REAL300002812063	1	56	0.0	-74.38	423.43	10.57	-63.81
CC1=CC=CC(C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])=C1C	REAL300002812064	0	56	0.0	-64.37	408.90	11.02	-53.35
CC1=CC=CC(C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])=C1C	REAL300002812064	1	56	0.0	-62.81	410.97	10.99	-51.82
CC1=CC=CC(C(NC(=O)CCC2CCC[N@H+]2C)C(=O)[O-])=C1C	REAL300002812071	0	49	0.0	-71.56	366.16	9.32	-62.24
CC1=CC=CC(C(NC(=O)CCC2CCC[N@@H+]2C)C(=O)[O-])=C1C	REAL300002812071	1	49	0.0	-69.45	366.55	9.07	-60.38
CC1=CC=CC(C(NC(=O)C2CCC3CCCC[N@@H+]32)C(=O)[O-])=C1C	REAL300002812081	0	50	0.0	-57.86	362.39	9.50	-48.36
CC1=CC=CC(C(NC(=O)C2CCC3CCCC[N@H+]32)C(=O)[O-])=C1C	REAL300002812081	1	50	0.0	-54.22	362.35	9.50	-44.72
CC1=CC=CC(C(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C(=O)[O-])=C1C	REAL300002812093	0	58	0.0	-82.56	438.82	9.95	-72.61
CC1=CC=CC(C(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C(=O)[O-])=C1C	REAL300002812094	0	58	0.0	-84.60	438.39	9.93	-74.67
CC1=CC=CC(C(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C(=O)[O-])=C1C	REAL300002812094	1	58	0.0	-83.67	437.88	9.81	-73.86
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C=C1	REAL300002812096	0	59	0.0	-81.68	440.97	11.37	-70.31
CC1=CC=CC(C(NC(=O)C2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1C	REAL300002812104	0	52	0.0	-67.74	376.88	9.62	-58.12
CC1=CC=CC(C(NC(=O)C23CC[NH+](CC2)C3)C(=O)[O-])=C1C	REAL300002812171	0	44	0.0	-70.18	335.67	7.65	-62.53
CC1=CC=CC(C(NC(=O)C23CC[N@H+](C2)CCC3)C(=O)[O-])=C1C	REAL300002812180	0	47	0.0	-65.61	347.65	8.55	-57.06
CC1=CC=CC(C(NC(=O)C23CC[N@@H+](C2)CCC3)C(=O)[O-])=C1C	REAL300002812180	1	47	0.0	-76.83	344.13	8.32	-68.51
CC1=CC=CC(C(NC(=O)C[NH+]2C(C)CCC2C)C(=O)[O-])=C1C	REAL300002812222	0	49	0.0	-55.12	358.76	9.03	-46.09
CC1=CC=CC(C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])=C1C	REAL300002812223	0	49	0.0	-76.06	380.20	10.53	-65.53
CC1=CC=CC(C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1C	REAL300002812224	0	56	0.0	-65.38	423.84	12.26	-53.12
CC1=CC=CC(C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1C	REAL300002812224	1	56	0.0	-68.89	428.38	12.09	-56.80
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300002812278	0	48	0.0	-74.39	374.69	9.89	-64.50
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300002812280	0	54	0.0	-73.63	401.53	7.70	-65.93
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)CC1	REAL300002812280	1	54	0.0	-64.77	400.62	7.68	-57.09
CC1=CC=CC(C(NC(=O)CCN2C=C[NH+]=C2C(C)C)C(=O)[O-])=C1C	REAL300002812287	1	50	0.0	-60.31	387.42	10.19	-50.12
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C)C1CC1	REAL300002812293	0	46	0.0	-54.42	346.87	8.83	-45.59
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(C)=C1C)C1CC1	REAL300002812293	1	46	0.0	-55.96	348.05	9.06	-46.90
CC1=CC=CC(C(NC(=O)C(C)[NH+]2CCCCCC2)C(=O)[O-])=C1C	REAL300002812320	0	52	0.0	-55.77	372.72	9.80	-45.97
CC1=CC=CC(C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C(=O)[O-])=C1C	REAL300002812358	1	54	0.0	-84.27	416.22	10.92	-73.35
CC1=CC=CC(C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C(=O)[O-])=C1C	REAL300002812358	1	54	0.0	-84.23	416.42	10.90	-73.33
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)O1	REAL300002812397	0	52	0.0	-77.12	398.43	9.89	-67.23
CC1=CC=CC(C(NC(=O)CCCC[NH+]2CCCC2)C(=O)[O-])=C1C	REAL300002812398	0	52	0.0	-71.49	392.96	10.33	-61.16
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C3=CC=CC(C)=C3C)CC2)[NH+]=C1	REAL300002812400	1	55	0.0	-70.64	415.67	10.08	-60.56
CC1=CC=CC(C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300002812401	1	49	0.0	-62.29	382.09	10.68	-51.61
CC1=CC=CC(C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300002812401	1	49	0.0	-62.10	379.25	10.59	-51.51
CC1=CC=CC(C(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])=C1C	REAL300002812425	1	44	0.0	-79.63	364.73	8.52	-71.11
CC1=CC=CC(C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C(=O)[O-])=C1C	REAL300002812448	1	45	0.0	-80.52	361.72	8.02	-72.50
CC1=CC=CC(C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1C	REAL300002812452	0	56	0.0	-74.01	426.35	12.00	-62.01
CC1=CC=CC(C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1C	REAL300002812452	1	56	0.0	-68.81	423.41	12.02	-56.79
CC1=CC=CC(C(NC(=O)C2CCC[N@H+]2C(C)C)C(=O)[O-])=C1C	REAL300002812467	0	49	0.0	-57.17	362.12	9.13	-48.04
CC1=CC=CC(C(NC(=O)C2CCC[N@@H+]2C(C)C)C(=O)[O-])=C1C	REAL300002812467	1	49	0.0	-61.97	351.05	9.64	-52.33
CC1=CC=CC(C(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])=C1C	REAL300002812475	0	57	0.0	-83.79	444.49	11.51	-72.28
CC1=CC=CC(C(NC(=O)COC2CC[NH+](C)CC2)C(=O)[O-])=C1C	REAL300002812488	0	50	0.0	-78.49	382.54	9.07	-69.42
CC1=CC=CC(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(=O)[O-])=C1C	REAL300002812493	0	53	0.0	-78.84	410.41	10.66	-68.18
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C1	REAL300002812647	0	52	0.0	-61.71	390.18	10.35	-51.36
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C1	REAL300002812647	1	52	0.0	-54.49	383.06	10.55	-43.94
CC1=CC=CC(C(NC(=O)C[NH+]2CCC(CO)CC2)C(=O)[O-])=C1C	REAL300002812674	1	50	0.0	-59.50	376.36	6.18	-53.32
CC1=CC=CC(C(NC(=O)C2CCC[N@@H+](C(C)C)C2)C(=O)[O-])=C1C	REAL300002812862	0	52	0.0	-67.94	385.50	9.68	-58.26
CC1=CC=CC(C(NC(=O)C2CCC[N@H+](C(C)C)C2)C(=O)[O-])=C1C	REAL300002812862	1	52	0.0	-64.06	381.20	9.82	-54.24
CC1=CC=CC(C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(=O)[O-])=C1C	REAL300002812863	0	46	0.0	-58.42	364.97	8.83	-49.59
CC1=CC=CC(C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C(=O)[O-])=C1C	REAL300002812863	1	46	0.0	-76.93	367.24	8.73	-68.20
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2=C(C)C(C)=CC=C2)N1	REAL300002812886	1	47	0.0	-61.56	372.80	8.25	-53.31
CC1=CC=CC(C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(=O)[O-])=C1C	REAL300002813290	0	52	0.0	-79.11	402.70	11.37	-67.74
CC1=CC=CC(C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])=C1C	REAL300002813298	0	53	0.0	-83.69	409.58	10.31	-73.38
CC1=CC=CC(C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])=C1C	REAL300002813388	0	59	0.0	-71.88	441.71	12.97	-58.91
CC1=CC=CC(C(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C(=O)[O-])=C1C	REAL300002813390	1	57	0.0	-84.68	427.79	10.69	-73.99
CC1=CC=CC(C(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C(=O)[O-])=C1C	REAL300002813390	1	57	0.0	-85.96	428.86	10.75	-75.21
CC1=CC=CC(C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C(=O)[O-])=C1C	REAL300002813418	0	46	0.0	-65.71	351.39	8.74	-56.97
CC1=CC=CC(C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(=O)[O-])=C1C	REAL300002813422	0	52	0.0	-57.76	375.57	9.68	-48.08
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3=C(C)C(C)=CC=C3)=CN21	REAL300002813426	0	44	0.0	-67.45	354.17	10.28	-57.17
CC1=CC=CC(C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)C(=O)[O-])=C1C	REAL300002813477	0	55	0.0	-66.32	403.97	10.68	-55.64
CC1=CC=CC(C(NC(=O)C2CCC[N@H+](CC(C)C)C2)C(=O)[O-])=C1C	REAL300002813477	1	55	0.0	-57.84	396.55	10.92	-46.92
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C1	REAL300002813478	0	49	0.0	-65.79	366.40	9.40	-56.39
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C)=C2C)C1	REAL300002813478	1	49	0.0	-64.78	367.68	9.35	-55.43
CC1=CC=CC(C(NC(=O)C2CCC[N@@H+](C)C2)C(=O)[O-])=C1C	REAL300002813482	0	46	0.0	-58.80	343.66	8.91	-49.89
CC1=CC=CC(C(NC(=O)C2CCC[N@H+](C)C2)C(=O)[O-])=C1C	REAL300002813482	1	46	0.0	-68.96	352.00	8.61	-60.35
CC1=CC=CC(C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C(=O)[O-])=C1C	REAL300002813484	1	46	0.0	-78.20	365.54	8.76	-69.44
CC1=CC=CC(C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(=O)[O-])=C1C	REAL300002813492	0	48	0.0	-54.20	363.50	10.56	-43.64
CC1=CC=CC(C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(=O)[O-])=C1C	REAL300002813492	1	48	0.0	-64.30	360.44	10.12	-54.18
COC1=CC=C(C(NC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])C=C1F	REAL300002815357	0	48	0.0	-67.91	377.49	8.27	-59.64
COC1=CC=C(C(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)C(=O)[O-])C=C1F	REAL300002815381	1	46	0.0	-62.88	375.95	8.06	-54.82
COC1=CC=C(C(NC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])C=C1F	REAL300002815444	1	49	0.0	-69.06	381.33	5.25	-63.81
COC1=CC=C(C(NC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])C=C1F	REAL300002815474	1	44	0.0	-63.31	340.91	6.75	-56.56
COC1=CC=C(C(NC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])C=C1F	REAL300002815474	1	44	0.0	-55.43	350.05	7.01	-48.42
COC1=CC=C(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1F	REAL300002815535	0	44	0.0	-69.74	352.87	6.99	-62.75
COC1=CC=C(C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])C=C1F	REAL300002815562	0	39	0.0	-68.10	337.84	8.90	-59.20
COC1=CC=C(C(NC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])C=C1F	REAL300002815590	0	53	0.0	-73.89	391.42	9.79	-64.10
COC1=CC=C(C(NC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])C=C1F	REAL300002815594	0	53	0.0	-64.69	406.73	8.92	-55.77
COC1=CC=C(C(NC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])C=C1F	REAL300002815594	1	53	0.0	-67.83	406.72	8.92	-58.91
COC1=CC=C(C(NC(=O)C2CCC[N@@H+]2C)C(=O)[O-])C=C1F	REAL300002815607	0	41	0.0	-54.44	334.16	6.38	-48.06
COC1=CC=C(C(NC(=O)C2CCC[N@H+]2C)C(=O)[O-])C=C1F	REAL300002815607	1	41	0.0	-54.53	333.75	6.37	-48.16
COC1=CC=C(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C=C1F	REAL300002815652	0	44	0.0	-69.74	352.87	6.99	-62.75
COC1=CC=C(C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(=O)[O-])C=C1F	REAL300002815655	0	47	0.0	-78.11	397.43	7.99	-70.12
COC1=CC=C(C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C(=O)[O-])C=C1F	REAL300002815666	0	55	0.0	-53.22	410.75	7.47	-45.75
COC1=CC=C(C(NC(=O)CCCN2C=C[NH+]=C2C)C(=O)[O-])C=C1F	REAL300002815696	1	45	0.0	-67.85	379.03	8.30	-59.55
COC1=CC=C(C(NC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])C=C1F	REAL300002815697	1	51	0.0	-75.35	406.56	6.91	-68.44
COC1=CC=C(C(NC(=O)[C@H]2CCC[N@@H+]2C)C(=O)[O-])C=C1F	REAL300002815701	0	41	0.0	-57.49	334.38	6.48	-51.01
COC1=CC=C(C(NC(=O)[C@H]2CCC[N@H+]2C)C(=O)[O-])C=C1F	REAL300002815701	1	41	0.0	-63.33	328.33	5.87	-57.46
COC1=CC=C(C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1F	REAL300002815734	0	51	0.0	-68.19	411.64	9.80	-58.39
COC1=CC=C(C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C=C1F	REAL300002815734	1	51	0.0	-68.13	411.26	9.79	-58.34
COC1=CC=C(C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C(=O)[O-])C=C1F	REAL300002815735	0	52	0.0	-74.94	411.47	9.27	-65.67
COC1=CC=C(C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C(=O)[O-])C=C1F	REAL300002815757	0	55	0.0	-65.48	405.39	7.30	-58.18
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1)[NH+](CC)CC	REAL300002815761	0	49	0.0	-54.39	374.56	7.69	-46.70
COC1=CC=C(C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300002815763	0	50	0.0	-55.42	402.82	9.38	-46.04
COC1=CC=C(C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300002815763	1	50	0.0	-59.55	403.17	9.35	-50.20
COC1=CC=C(C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])C=C1F	REAL300002815782	0	46	0.0	-76.81	382.03	7.42	-69.39
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300002815785	0	55	0.0	-69.80	430.86	9.53	-60.27
COC1=CC=C(C(NC(=O)C2C[N@H+](C)CCO2)C(=O)[O-])C=C1F	REAL300002815787	1	42	0.0	-50.60	338.28	5.71	-44.89
COC1=CC=C(C(NC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])C=C1F	REAL300002815787	1	42	0.0	-56.79	338.58	5.62	-51.17
COC1=CC=C(C(NC(=O)CN2C=C[NH+]=C2C(C)C)C(=O)[O-])C=C1F	REAL300002815794	1	45	0.0	-56.41	373.92	8.07	-48.34
COC1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(=O)[O-])C=C1F	REAL300002815807	0	51	0.0	-79.39	411.24	9.98	-69.41
COC1=CC=C(C(NC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])C=C1F	REAL300002815813	0	44	0.0	-67.20	361.25	7.08	-60.12
COC1=CC=C(C(NC(=O)CCCC[NH+](C)C)C(=O)[O-])C=C1F	REAL300002815820	0	46	0.0	-74.30	373.66	7.45	-66.85
COC1=CC=C(C(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])C=C1F	REAL300002815837	1	45	0.0	-80.52	384.07	7.21	-73.31
COC1=CC=C(C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])C=C1F	REAL300002815849	1	47	0.0	-77.91	391.73	7.43	-70.48
COC1=CC=C(C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1F	REAL300002815850	0	50	0.0	-82.77	408.32	9.73	-73.04
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300002815855	1	43	0.0	-59.75	357.36	6.49	-53.26
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300002815862	0	43	0.0	-57.93	347.52	6.75	-51.18
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300002815862	1	43	0.0	-57.91	347.55	6.75	-51.16
COC1=CC=C(C(NC(=O)C[N@H+](C)C2CCC2)C(=O)[O-])C=C1F	REAL300002815876	0	44	0.0	-55.16	353.81	7.36	-47.80
COC1=CC=C(C(NC(=O)C[N@@H+](C)C2CCC2)C(=O)[O-])C=C1F	REAL300002815876	1	44	0.0	-54.15	353.90	7.37	-46.78
COC1=CC=C(C(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-])C=C1F	REAL300002815899	0	49	0.0	-55.87	378.22	7.98	-47.89
COC1=CC=C(C(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])C=C1F	REAL300002815899	1	49	0.0	-57.28	376.12	7.73	-49.55
COC1=CC=C(C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300002815901	0	50	0.0	-59.71	406.82	9.83	-49.88
COC1=CC=C(C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300002815901	1	50	0.0	-59.74	406.82	9.83	-49.91
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300002815902	0	54	0.0	-67.38	436.19	6.02	-61.36
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300002815902	1	54	0.0	-67.82	436.24	6.02	-61.80
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1)[NH+](C)C	REAL300002815905	0	43	0.0	-57.35	338.71	6.37	-50.98
COC1=CC=C(C(NC(=O)CC2(O)CCC[N@H+](C)C2)C(=O)[O-])C=C1F	REAL300002815907	0	48	0.0	-62.39	378.37	5.76	-56.63
COC1=CC=C(C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C(=O)[O-])C=C1F	REAL300002815907	1	48	0.0	-67.97	375.12	5.80	-62.17
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300002815919	0	52	0.0	-58.86	412.00	9.11	-49.75
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300002815919	1	52	0.0	-57.81	411.42	9.15	-48.66
COC1=CC=C(C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])C=C1F	REAL300002815933	1	39	0.0	-74.35	338.12	8.91	-65.44
COC1=CC=C(C(NC(=O)C[N@H+](C)C2CCSC2)C(=O)[O-])C=C1F	REAL300002815942	0	45	0.0	-60.06	366.96	7.62	-52.44
COC1=CC=C(C(NC(=O)C[N@@H+](C)C2CCSC2)C(=O)[O-])C=C1F	REAL300002815942	1	45	0.0	-63.77	367.79	7.57	-56.20
COC1=CC=C(C(NC(=O)CCN2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1F	REAL300002815957	0	55	0.0	-67.60	423.03	6.56	-61.04
COC1=CC=C(C(NC(=O)CC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])C=C1F	REAL300002815957	1	55	0.0	-63.99	420.44	6.33	-57.66
COC1=CC=C(C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1F	REAL300002815958	0	58	0.0	-68.22	444.93	7.39	-60.83
COC1=CC=C(C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])C=C1F	REAL300002815958	1	58	0.0	-67.85	441.44	7.09	-60.76
COC1=CC=C(C(NC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])C=C1F	REAL300002815959	0	48	0.0	-55.16	372.50	8.25	-46.91
COC1=CC=C(C(NC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])C=C1F	REAL300002815959	1	48	0.0	-52.36	372.44	8.26	-44.10
COC1=CC=C(C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C(=O)[O-])C=C1F	REAL300002815961	0	47	0.0	-80.49	392.37	6.89	-73.60
COC1=CC=C(C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])C=C1F	REAL300002815969	1	51	0.0	-61.01	403.32	9.88	-51.13
COC1=CC=C(C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])C=C1F	REAL300002815969	1	51	0.0	-60.32	402.72	9.96	-50.36
COC1=CC=C(C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C(=O)[O-])C=C1F	REAL300002815996	0	47	0.0	-84.66	393.01	6.86	-77.80
COC1=CC=C(C(NC(=O)C2=CC=NN2CC[NH+](C)C)C(=O)[O-])C=C1F	REAL300002815997	0	47	0.0	-58.71	388.39	6.86	-51.85
COC1=CC=C(C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(=O)[O-])C=C1F	REAL300002815999	0	44	0.0	-66.03	341.06	6.39	-59.64
COC1=CC=C(C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(=O)[O-])C=C1F	REAL300002815999	1	44	0.0	-69.02	349.36	6.52	-62.50
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300002816000	1	48	0.0	-59.90	394.28	8.54	-51.36
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC[N@@H+]1C	REAL300002816003	0	47	0.0	-64.49	365.10	7.09	-57.40
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC[N@H+]1C	REAL300002816003	1	47	0.0	-63.60	369.08	7.61	-55.99
COC1=CC=C(C(NC(=O)C2C[N@H+](C)CC(C)O2)C(=O)[O-])C=C1F	REAL300002816010	1	45	0.0	-74.31	360.21	6.49	-67.82
COC1=CC=C(C(NC(=O)C2C[N@@H+](C)CC(C)O2)C(=O)[O-])C=C1F	REAL300002816010	1	45	0.0	-73.82	359.51	6.55	-67.27
COC1=CC=C(C(NC(=O)C[NH+]2CCCC2)C(=O)[O-])C=C1F	REAL300002816016	0	41	0.0	-57.08	333.76	6.47	-50.61
COC1=CC=C(C(NC(=O)CN2C=C[NH+]=C2C)C(=O)[O-])C=C1F	REAL300002816018	1	39	0.0	-56.36	337.71	6.95	-49.41
COC1=CC=C(C(NC(=O)C(C)C[NH+]2CCOCC2)C(=O)[O-])C=C1F	REAL300002816020	0	48	0.0	-63.67	378.96	6.11	-57.56
COC1=CC=C(C(NC(=O)C[NH+]2CCC(C)CC2)C(=O)[O-])C=C1F	REAL300002816038	0	47	0.0	-61.03	371.26	7.82	-53.21
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C1	REAL300002816049	1	45	0.0	-67.17	363.47	6.44	-60.73
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C1	REAL300002816049	1	45	0.0	-52.03	356.39	6.26	-45.77
COC1=CC=C(C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])C=C1F	REAL300002816078	0	54	0.0	-59.57	413.15	9.31	-50.26
COC1=CC=C(C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])C=C1F	REAL300002816078	1	54	0.0	-68.43	413.58	9.19	-59.24
COC1=CC=C(C(NC(=O)CCC2CCC[N@@H+]2C)C(=O)[O-])C=C1F	REAL300002816084	0	47	0.0	-65.74	370.22	7.35	-58.39
COC1=CC=C(C(NC(=O)CCC2CCC[N@H+]2C)C(=O)[O-])C=C1F	REAL300002816084	1	47	0.0	-69.29	371.65	7.74	-61.55
COC1=CC=C(C(NC(=O)C2CCC3CCCC[N@@H+]32)C(=O)[O-])C=C1F	REAL300002816095	0	48	0.0	-57.82	376.12	8.31	-49.51
COC1=CC=C(C(NC(=O)C2CCC3CCCC[N@H+]32)C(=O)[O-])C=C1F	REAL300002816095	1	48	0.0	-56.86	368.78	7.89	-48.97
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300002816114	0	43	0.0	-58.54	339.64	6.48	-52.06
COC1=CC=C(C(NC(=O)C2CC[NH+](C(C)C)CC2)C(=O)[O-])C=C1F	REAL300002816116	0	50	0.0	-65.19	382.93	7.99	-57.20
COC1=CC=C(C(NC(=O)C23CC[NH+](CC2)C3)C(=O)[O-])C=C1F	REAL300002816183	0	42	0.0	-71.51	339.90	5.85	-65.66
CCC(C(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1)[NH+](C)C	REAL300002816186	0	43	0.0	-63.06	340.66	6.56	-56.50
COC1=CC=C(C(NC(=O)C23CC[N@H+](C2)CCC3)C(=O)[O-])C=C1F	REAL300002816193	0	45	0.0	-70.85	349.86	6.59	-64.26
COC1=CC=C(C(NC(=O)C23CC[N@@H+](C2)CCC3)C(=O)[O-])C=C1F	REAL300002816193	1	45	0.0	-71.08	349.63	6.61	-64.47
COC1=CC=C(C(NC(=O)C[NH+]2C(C)CCC2C)C(=O)[O-])C=C1F	REAL300002816228	0	47	0.0	-53.30	364.71	7.27	-46.03
COC1=CC=C(C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])C=C1F	REAL300002816229	0	47	0.0	-74.31	386.44	8.83	-65.48
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300002816276	0	46	0.0	-69.91	376.96	8.21	-61.70
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300002816278	0	52	0.0	-71.47	405.13	5.88	-65.59
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300002816278	1	52	0.0	-67.11	406.91	5.98	-61.13
COC1=CC=C(C(NC(=O)C[N@H+](C)C(C)C)C(=O)[O-])C=C1F	REAL300002816279	0	43	0.0	-55.22	342.74	6.53	-48.69
COC1=CC=C(C(NC(=O)C[N@@H+](C)C(C)C)C(=O)[O-])C=C1F	REAL300002816279	1	43	0.0	-54.24	342.10	6.59	-47.65
COC1=CC=C(C(NC(=O)CCN2C=C[NH+]=C2C(C)C)C(=O)[O-])C=C1F	REAL300002816284	1	48	0.0	-61.48	393.47	8.55	-52.93
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1)C1CC1	REAL300002816291	0	44	0.0	-55.75	354.63	7.34	-48.41
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=C(OC)C(F)=C1)C1CC1	REAL300002816291	1	44	0.0	-55.31	354.46	7.44	-47.87
COC1=CC=C(C(NC(=O)C(C)[NH+]2CCCCCC2)C(=O)[O-])C=C1F	REAL300002816314	0	50	0.0	-56.36	372.77	8.03	-48.33
COC1=CC=C(C(NC(=O)[C@@H]2CCC[N@@H+]2C)C(=O)[O-])C=C1F	REAL300002816317	0	41	0.0	-63.45	328.28	5.87	-57.58
COC1=CC=C(C(NC(=O)[C@@H]2CCC[N@H+]2C)C(=O)[O-])C=C1F	REAL300002816317	1	41	0.0	-55.18	333.97	6.28	-48.90
COC1=CC=C(C(NC(=O)C[NH2+]C(C)(C)C)C(=O)[O-])C=C1F	REAL300002816383	0	43	0.0	-58.69	347.01	5.12	-53.57
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)O1	REAL300002816385	0	50	0.0	-72.87	407.95	8.59	-64.28
COC1=CC=C(C(NC(=O)CCCC[NH+]2CCCC2)C(=O)[O-])C=C1F	REAL300002816386	0	50	0.0	-70.17	399.61	8.65	-61.52
COC1=CC=C(C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300002816388	1	47	0.0	-60.97	384.99	8.93	-52.04
COC1=CC=C(C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300002816388	1	47	0.0	-60.21	384.74	9.01	-51.20
COC1=CC=C(C(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])C=C1F	REAL300002816412	1	42	0.0	-79.02	367.60	6.77	-72.25
COC1=CC=C(C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C(=O)[O-])C=C1F	REAL300002816431	1	43	0.0	-79.81	366.40	6.31	-73.50
COC1=CC=C(C(NC(=O)C2CCC[N@@H+]2C(C)C)C(=O)[O-])C=C1F	REAL300002816444	0	47	0.0	-59.23	359.04	7.99	-51.24
COC1=CC=C(C(NC(=O)C2CCC[N@H+]2C(C)C)C(=O)[O-])C=C1F	REAL300002816444	1	47	0.0	-61.54	360.79	7.58	-53.96
COC1=CC=C(C(NC(=O)COC2CC[NH+](C)CC2)C(=O)[O-])C=C1F	REAL300002816461	0	48	0.0	-75.82	388.24	7.42	-68.40
COC1=CC=C(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(=O)[O-])C=C1F	REAL300002816465	0	51	0.0	-74.74	414.23	9.09	-65.65
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C1	REAL300002816600	0	50	0.0	-58.38	385.58	8.63	-49.75
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C1	REAL300002816600	1	50	0.0	-58.34	385.16	8.61	-49.73
COC1=CC=C(C(NC(=O)C[NH+]2CCC(CO)CC2)C(=O)[O-])C=C1F	REAL300002816622	1	48	0.0	-58.53	382.11	4.52	-54.01
COC1=CC=C(C(NC(=O)C2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C=C1F	REAL300002816786	0	50	0.0	-65.45	386.96	8.18	-57.27
COC1=CC=C(C(NC(=O)C2CCC[N@H+](C(C)C)C2)C(=O)[O-])C=C1F	REAL300002816786	1	50	0.0	-64.24	386.98	8.19	-56.05
COC1=CC=C(C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C(=O)[O-])C=C1F	REAL300002816787	0	44	0.0	-61.83	365.05	6.88	-54.95
COC1=CC=C(C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(=O)[O-])C=C1F	REAL300002816787	1	44	0.0	-72.94	371.66	7.15	-65.79
COC1=CC=C(C(NC(=O)CCC2=[NH+]C(C)=C(C)N2)C(=O)[O-])C=C1F	REAL300002816808	1	45	0.0	-58.98	377.91	6.67	-52.31
COC1=CC=C(C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(=O)[O-])C=C1F	REAL300002817178	0	50	0.0	-76.47	408.32	9.72	-66.75
COC1=CC=C(C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])C=C1F	REAL300002817184	0	51	0.0	-80.20	416.22	8.62	-71.58
COC1=CC=C(C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C(=O)[O-])C=C1F	REAL300002817298	0	44	0.0	-64.97	357.83	7.07	-57.90
COC1=CC=C(C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(=O)[O-])C=C1F	REAL300002817302	0	50	0.0	-56.19	380.57	8.03	-48.16
COC1=CC=C(C(NC(=O)C2=CN3C(C)=[NH+]C=C3C=C2)C(=O)[O-])C=C1F	REAL300002817306	0	42	0.0	-64.30	359.67	8.70	-55.60
COC1=CC=C(C(NC(=O)C2CCC[N@H+](CC(C)C)C2)C(=O)[O-])C=C1F	REAL300002817355	0	53	0.0	-56.86	399.57	9.27	-47.59
COC1=CC=C(C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)C(=O)[O-])C=C1F	REAL300002817355	1	53	0.0	-65.77	409.25	9.10	-56.67
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C1	REAL300002817356	0	47	0.0	-66.68	370.34	7.67	-59.01
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C1	REAL300002817356	1	47	0.0	-64.98	370.31	7.67	-57.31
COC1=CC=C(C(NC(=O)C2CCC[N@H+](C)C2)C(=O)[O-])C=C1F	REAL300002817361	0	44	0.0	-67.21	352.63	7.01	-60.20
COC1=CC=C(C(NC(=O)C2CCC[N@@H+](C)C2)C(=O)[O-])C=C1F	REAL300002817361	1	44	0.0	-57.73	346.64	7.17	-50.56
COC1=CC=C(C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C(=O)[O-])C=C1F	REAL300002817363	1	44	0.0	-76.74	371.81	7.05	-69.69
COC1=CC=C(C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(=O)[O-])C=C1F	REAL300002817371	1	46	0.0	-61.71	358.70	7.78	-53.93
COC1=CC=C(C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(=O)[O-])C=C1F	REAL300002817371	1	46	0.0	-59.35	372.11	8.13	-51.22
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300002818347	0	50	0.0	-52.87	398.14	12.01	-40.86
CC1=[NH+]C=C2CCC(C(=O)N(CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)CN12	REAL300002818365	1	48	0.0	-47.01	395.77	11.80	-35.21
C[NH+](C)CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818401	0	39	0.0	-44.14	332.34	9.39	-34.75
CC(C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)N1CC[NH+](C)CC1	REAL300002818402	1	51	0.0	-52.79	404.47	9.19	-43.60
C[N@@H+]1CCCC[C@H]1C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818426	0	46	0.0	-38.22	370.24	10.86	-27.36
C[N@H+]1CCCC[C@H]1C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818426	1	46	0.0	-46.08	363.82	10.53	-35.55
C[NH+]1CCC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300002818455	0	46	0.0	-56.69	367.83	10.62	-46.07
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002818476	0	41	0.0	-59.07	355.76	12.43	-46.64
C[N@@H+]1CCCC1C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818501	0	43	0.0	-47.71	346.95	9.70	-38.01
C[N@H+]1CCCC1C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818501	1	43	0.0	-41.02	355.47	10.19	-30.83
C[NH+]1CCC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300002818533	0	46	0.0	-56.69	367.83	10.62	-46.07
CC1=[NH+]C=CN1CCCC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818555	1	47	0.0	-50.82	397.18	12.06	-38.76
C[C@@H](C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)[NH+](C)C	REAL300002818559	0	42	0.0	-47.22	345.02	9.66	-37.56
C[N@@H+]1CCC[C@@H]1C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818560	0	43	0.0	-44.17	350.11	9.86	-34.31
C[N@H+]1CCC[C@@H]1C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818560	1	43	0.0	-43.26	353.01	10.18	-33.08
C[C@H](C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)[NH+](C)C	REAL300002818563	0	42	0.0	-42.40	348.99	9.77	-32.63
CCC(C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)[NH+](CC)CC	REAL300002818612	0	51	0.0	-37.54	388.29	11.37	-26.17
C[NH+](C)CC1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300002818624	0	48	0.0	-63.95	401.25	10.91	-53.04
C[N@@H+]1CCOC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300002818626	1	44	0.0	-55.20	359.39	9.53	-45.67
C[N@H+]1CCOC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300002818626	1	44	0.0	-42.79	361.40	9.54	-33.25
CC(C)C1=[NH+]C=CN1CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818634	1	47	0.0	-42.38	391.98	11.85	-30.53
C[NH+](C)CC1(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300002818641	0	46	0.0	-32.60	375.15	10.82	-21.78
C[NH+](C)CCCCC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818645	0	48	0.0	-56.09	391.71	11.30	-44.79
CNC1=[NH+]C(C)=CC=C1C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818666	1	45	0.0	-40.70	384.32	9.98	-30.72
CCC[N@H+](C)CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818670	0	45	0.0	-42.09	371.59	10.80	-31.29
CCC[N@@H+](C)CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818670	1	45	0.0	-42.65	365.55	10.53	-32.12
C[N@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CCC1	REAL300002818681	0	46	0.0	-40.07	378.53	11.36	-28.71
C[N@@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CCC1	REAL300002818681	1	46	0.0	-40.15	378.43	11.35	-28.80
CC(C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)[NH+]1CCSCC1	REAL300002818692	1	47	0.0	-40.28	383.46	11.07	-29.21
C[N@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)CC(C)(C)C	REAL300002818693	0	51	0.0	-41.95	395.94	11.61	-30.34
C[N@@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)CC(C)(C)C	REAL300002818693	1	51	0.0	-41.27	402.50	11.95	-29.32
CC[C@@H](C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)[NH+](C)C	REAL300002818695	0	45	0.0	-44.56	357.59	10.31	-34.25
C[N@@H+]1CCCC(O)(CC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300002818697	0	50	0.0	-52.94	392.84	9.57	-43.37
C[N@H+]1CCCC(O)(CC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300002818697	1	50	0.0	-51.73	390.08	9.68	-42.05
CCCCCC[N@H+](C)CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818708	0	54	0.0	-43.51	430.05	12.87	-30.64
CCCCCC[N@@H+](C)CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818708	1	54	0.0	-43.31	429.93	12.87	-30.44
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300002818718	1	41	0.0	-58.82	355.98	12.45	-46.37
C[N@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CCSC1	REAL300002818722	0	47	0.0	-44.22	391.66	11.63	-32.59
C[N@@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CCSC1	REAL300002818722	1	47	0.0	-43.99	385.54	11.34	-32.65
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300002818734	0	50	0.0	-39.61	392.52	12.00	-27.61
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C1CCCC2CCC[N@H+]21	REAL300002818734	1	50	0.0	-33.47	382.83	11.50	-21.97
C[NH+](C)CCN1C=C(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300002818735	0	49	0.0	-68.13	407.93	10.46	-57.67
C[NH+](C)CCN1C=CC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300002818754	0	49	0.0	-61.99	413.27	11.23	-50.76
C[NH+](C)CCN1N=CC=C1C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818755	0	49	0.0	-58.05	403.21	10.51	-47.54
C[C@@H]1[C@H](C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC[N@@H+]1C	REAL300002818757	0	46	0.0	-53.93	360.69	10.03	-43.90
C[C@@H]1[C@H](C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC[N@H+]1C	REAL300002818757	1	46	0.0	-44.03	368.50	10.57	-33.46
CCC1=[NH+]C=CN1C(C)CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818758	1	50	0.0	-45.79	418.30	12.64	-33.15
CC[C@@H]1[C@@H](C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC[N@@H+]1C	REAL300002818760	0	49	0.0	-47.76	379.38	10.79	-36.97
CC[C@@H]1[C@@H](C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC[N@H+]1C	REAL300002818760	1	49	0.0	-53.80	390.99	11.25	-42.55
CC1C[N@H+](C)CC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300002818764	1	47	0.0	-42.98	376.43	9.96	-33.02
CC1C[N@@H+](C)CC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300002818764	1	47	0.0	-58.67	374.78	9.74	-48.93
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C[NH+]1CCCC1	REAL300002818769	0	43	0.0	-42.46	356.30	10.40	-32.06
CC1=[NH+]C=CN1CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818771	1	41	0.0	-44.71	355.76	10.72	-33.99
CC(C[NH+]1CCOCC1)C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818773	0	50	0.0	-52.65	396.97	9.77	-42.88
CC1CC[NH+](CC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300002818790	0	49	0.0	-41.03	395.25	11.90	-29.13
CC[N@@H+]1CCOC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300002818797	1	47	0.0	-53.33	377.18	10.17	-43.16
CC[N@H+]1CCOC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300002818797	1	47	0.0	-51.55	375.40	10.10	-41.45
C[N@@H+]1CCCC1CCC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818818	0	49	0.0	-51.79	395.92	11.77	-40.02
C[N@H+]1CCCC1CCC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818818	1	49	0.0	-52.08	394.28	11.45	-40.63
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300002818826	0	50	0.0	-42.63	390.04	11.81	-30.82
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C1CCC2CCCC[N@H+]21	REAL300002818826	1	50	0.0	-38.62	396.19	12.17	-26.45
CC[NH+](CC)CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818837	0	45	0.0	-42.63	362.34	10.47	-32.16
CC(C)[NH+]1CCC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300002818839	0	52	0.0	-52.52	402.15	11.81	-40.71
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C12CC[NH+](CC1)C2	REAL300002818883	0	44	0.0	-52.23	350.84	9.51	-42.72
CCC(C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)[NH+](C)C	REAL300002818886	0	45	0.0	-45.24	352.40	10.14	-35.10
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C12CC[N@H+](C1)CCC2	REAL300002818892	0	47	0.0	-56.71	361.31	10.15	-46.56
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300002818892	1	47	0.0	-56.58	361.30	10.15	-46.43
CC1CCC(C)[NH+]1CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818916	0	49	0.0	-38.92	389.30	11.29	-27.63
C[NH+](C)CC1=CC=CC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300002818917	0	49	0.0	-67.97	407.45	12.53	-55.44
C#CC[NH+]1CCC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300002818947	0	48	0.0	-58.03	400.82	12.08	-45.95
CC(C)[N@H+](C)CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818948	0	45	0.0	-41.90	360.74	10.31	-31.59
CC(C)[N@@H+](C)CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818948	1	45	0.0	-41.29	366.77	10.58	-30.71
CC(C)C1=[NH+]C=CN1CCC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818952	1	50	0.0	-44.66	411.62	12.31	-32.35
CC[N@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300002818957	0	46	0.0	-40.04	373.30	10.96	-29.08
CC[N@@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300002818957	1	46	0.0	-40.69	378.71	11.35	-29.34
CC(C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCCCC1	REAL300002818970	0	52	0.0	-40.62	397.08	11.95	-28.67
C[N@@H+]1CCC[C@H]1C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818973	0	43	0.0	-42.92	346.89	10.00	-32.92
C[N@H+]1CCC[C@H]1C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002818973	1	43	0.0	-46.40	351.48	9.85	-36.55
CC(C)(C)[NH2+]CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002819009	0	45	0.0	-42.40	365.30	8.82	-33.58
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)CCCC[NH+]1CCCC1	REAL300002819010	0	52	0.0	-55.49	423.68	12.74	-42.75
C[N@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC=C1	REAL300002819012	1	49	0.0	-44.13	402.98	12.71	-31.42
C[N@@H+](CC(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC=C1	REAL300002819012	1	49	0.0	-43.49	409.01	12.98	-30.51
C[NH+](C)CC1=CC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300002819037	1	45	0.0	-68.14	385.44	10.72	-57.42
CC(C)[N@@H+]1CCCC1C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002819046	0	49	0.0	-42.87	378.52	11.31	-31.56
CC(C)[N@H+]1CCCC1C(=O)N(CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300002819046	1	49	0.0	-41.47	387.05	11.30	-30.17
C[NH+]1CCC(OCC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300002819056	0	50	0.0	-60.15	406.16	11.26	-48.89
CCC[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300002819133	0	52	0.0	-46.85	412.55	12.16	-34.69
CCC[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300002819133	1	52	0.0	-54.04	415.36	12.31	-41.73
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C[NH+]1CCC(CO)CC1	REAL300002819145	0	50	0.0	-42.38	405.85	8.57	-33.81
CC(C)[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300002819240	0	52	0.0	-45.99	407.69	11.95	-34.04
CC(C)[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300002819240	1	52	0.0	-45.05	401.00	12.15	-32.90
CC1=C(C)[NH+]=C(CCC(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N1	REAL300002819253	1	47	0.0	-44.66	402.59	10.71	-33.95
C[NH+](C)[C@H]1C[C@H](C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300002819537	0	46	0.0	-46.09	369.50	10.69	-35.40
C[NH+](C)[C@H]1CC[C@@H](C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300002819541	0	52	0.0	-59.33	395.73	11.67	-47.66
CC1=[NH+]C=C2C=CC(C(=O)N(CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=CN12	REAL300002819543	0	44	0.0	-54.39	388.23	12.51	-41.88
CC[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300002819573	0	49	0.0	-51.98	385.77	11.58	-40.40
CC[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300002819573	1	49	0.0	-46.17	379.60	11.48	-34.69
C[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300002819578	0	46	0.0	-53.31	372.51	10.83	-42.48
C[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300002819578	1	46	0.0	-46.91	366.72	11.00	-35.91
C[NH+](C)CC1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300002819580	1	46	0.0	-52.78	392.06	11.17	-41.61
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002819587	0	48	0.0	-43.56	382.72	11.50	-32.06
O=C([O-])CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300002819587	1	48	0.0	-32.16	368.36	11.07	-21.09
CC1C(C(=O)[O-])CCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002820846	0	50	0.0	-78.25	375.90	10.63	-67.62
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300002821620	0	47	0.0	-68.07	355.53	10.07	-58.00
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300002821620	1	47	0.0	-65.80	347.34	9.87	-55.93
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300002822328	1	47	0.0	-70.29	375.95	10.68	-59.61
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300002822328	1	47	0.0	-68.65	373.45	10.60	-58.05
CC1C(C(=O)[O-])CCN1C(=O)C1COCC[N@@H+]1C1CCCC1	REAL300002822396	1	48	0.0	-66.11	339.02	6.80	-59.31
CC1C(C(=O)[O-])CCN1C(=O)C1COCC[N@H+]1C1CCCC1	REAL300002822396	1	48	0.0	-65.13	336.40	6.84	-58.29
CC1C(C(=O)[O-])CCN1C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300002822399	0	50	0.0	-64.74	369.97	10.33	-54.41
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(C(=O)[O-])C3C)CC2)=CS1	REAL300002822460	1	49	0.0	-77.28	383.23	8.38	-68.90
CC1C(C(=O)[O-])CCN1C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002822517	0	53	0.0	-80.27	411.42	10.49	-69.78
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300002822530	0	53	0.0	-88.58	407.74	12.24	-76.34
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300002822530	1	53	0.0	-76.76	402.46	12.24	-64.52
CC1C(C(=O)[O-])CCN1C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002822531	0	53	0.0	-69.19	375.26	10.48	-58.71
CC1C(C(=O)[O-])CCN1C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300002822569	0	50	0.0	-66.62	373.48	10.06	-56.56
CC1C(C(=O)[O-])CCN1C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002822569	1	50	0.0	-63.53	376.05	10.10	-53.43
CC1C(C(=O)[O-])CCN1C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002822623	1	50	0.0	-68.89	379.01	10.75	-58.14
CC1C(C(=O)[O-])CCN1C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002822623	1	50	0.0	-66.65	375.62	10.63	-56.02
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300002822624	0	47	0.0	-71.26	365.63	10.22	-61.04
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300002822624	1	47	0.0	-69.66	363.13	10.14	-59.52
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002822672	0	43	0.0	-79.23	342.20	7.84	-71.39
CC1C(C(=O)[O-])CCN1C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300002822677	0	53	0.0	-76.13	405.39	10.09	-66.04
CC1C(C(=O)[O-])CCN1C(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300002822701	0	50	0.0	-62.10	352.20	9.35	-52.75
CC1C(C(=O)[O-])CCN1C(=O)C1CCCC[N@H+]1C1CCCC1	REAL300002822701	1	50	0.0	-63.57	345.12	9.20	-54.37
CC1C(C(=O)[O-])CCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002822702	0	51	0.0	-77.06	367.12	7.73	-69.33
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C2C)C=C1)C(C)C	REAL300002822724	0	52	0.0	-79.35	379.04	10.26	-69.09
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C2C)C=C1)C(C)C	REAL300002822724	1	52	0.0	-79.35	370.40	9.89	-69.46
CC1C(C(=O)[O-])CCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002822745	0	47	0.0	-71.31	351.79	9.87	-61.44
CC1C(C(=O)[O-])CCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002822745	1	47	0.0	-71.34	356.93	9.95	-61.39
CC1C(C(=O)[O-])CCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002822746	0	48	0.0	-79.81	346.76	8.91	-70.90
CC1C(C(=O)[O-])CCN1C(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300002822767	1	52	0.0	-68.57	389.98	8.79	-59.78
CC1C(C(=O)[O-])CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002822768	0	51	0.0	-71.92	352.79	7.47	-64.45
CC(C(=O)N1CCC(C(=O)[O-])C1C)[N@H+](C)CC1=CC=CC=C1	REAL300002822771	0	46	0.0	-67.16	349.97	9.58	-57.58
CC(C(=O)N1CCC(C(=O)[O-])C1C)[N@@H+](C)CC1=CC=CC=C1	REAL300002822771	1	46	0.0	-67.80	349.72	9.57	-58.23
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002822778	0	53	0.0	-75.08	395.02	11.37	-63.71
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002822778	1	53	0.0	-66.05	384.43	11.49	-54.56
CC1C(C(=O)[O-])CCN1C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300002822815	0	51	0.0	-66.72	374.32	6.92	-59.80
CC[N@H+](C)C(C(=O)N1CCC(C(=O)[O-])C1C)C1=CC=CC=C1	REAL300002822816	0	46	0.0	-61.51	340.41	9.43	-52.08
CC[N@@H+](C)C(C(=O)N1CCC(C(=O)[O-])C1C)C1=CC=CC=C1	REAL300002822816	1	46	0.0	-64.61	345.86	9.47	-55.14
CC[NH+](CC)C(C(=O)N1CCC(C(=O)[O-])C1C)C1=CC=CC=C1	REAL300002822821	0	49	0.0	-63.49	349.31	9.87	-53.62
CC1C(C(=O)[O-])CCN1C(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300002822824	1	43	0.0	-65.79	342.30	9.37	-56.42
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002822838	0	47	0.0	-82.63	356.12	9.84	-72.79
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002822844	0	50	0.0	-72.44	367.32	10.49	-61.95
CCC(C(=O)N1CCC(C(=O)[O-])C1C)[N@@H+]1CCOC(CC)C1	REAL300002822847	1	50	0.0	-64.36	354.23	7.47	-56.89
CCC(C(=O)N1CCC(C(=O)[O-])C1C)[N@H+]1CCOC(CC)C1	REAL300002822847	1	50	0.0	-65.87	358.04	7.50	-58.37
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C(=O)[O-])C3C)CC2)CC1	REAL300002822850	0	58	0.0	-77.14	402.85	8.04	-69.10
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300002822856	1	54	0.0	-85.70	406.23	9.57	-76.13
CC1C(C(=O)[O-])CCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002822867	1	51	0.0	-81.58	378.84	10.02	-71.56
CC1C(C(=O)[O-])CCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002822867	1	51	0.0	-81.41	378.92	10.02	-71.39
CC1C(C(=O)[O-])CCN1C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300002822882	0	50	0.0	-63.48	368.92	10.62	-52.86
CC1C(C(=O)[O-])CCN1C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300002822882	1	50	0.0	-62.55	372.93	10.72	-51.83
CC1=C(C(=O)N2CCC(C(=O)[O-])C2C)C=NN1C1=CC=[NH+]C=C1	REAL300002822884	1	41	0.0	-77.46	323.11	7.06	-70.40
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002822892	0	50	0.0	-82.87	372.86	10.55	-72.32
CC1C(C(=O)[O-])CCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002822903	1	43	0.0	-75.10	331.91	7.87	-67.23
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300002822904	0	46	0.0	-84.89	353.79	9.54	-75.35
CC1C(C(=O)[O-])CCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002822911	1	48	0.0	-77.59	366.86	9.44	-68.15
CC1C(C(=O)[O-])CCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002822911	1	48	0.0	-79.24	360.97	9.33	-69.91
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C	REAL300002822915	0	57	0.0	-62.33	411.24	11.51	-50.82
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C	REAL300002822915	1	57	0.0	-63.84	413.71	11.71	-52.13
CC(C(=O)N1CCC(C(=O)[O-])C1C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002822923	0	56	0.0	-68.29	413.49	12.05	-56.24
CC1C(C(=O)[O-])CCN1C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300002822955	0	46	0.0	-71.11	355.19	10.03	-61.08
CC1C(C(=O)[O-])CCN1C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300002822955	1	46	0.0	-71.42	354.67	10.00	-61.42
COCCOCC[N@H+](C)CCC(=O)N1CCC(C(=O)[O-])C1C	REAL300002822956	0	50	0.0	-71.32	379.42	6.15	-65.17
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])C1C	REAL300002822956	1	50	0.0	-71.40	377.57	6.16	-65.24
CC1C(C(=O)[O-])CCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002822965	0	55	0.0	-78.38	411.15	9.83	-68.55
CC1C(C(=O)[O-])CCN1C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300002822966	1	49	0.0	-66.35	365.96	8.85	-57.50
CC1C(C(=O)[O-])CCN1C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300002822966	1	49	0.0	-72.08	359.48	8.68	-63.40
CC1C(C(=O)[O-])CCN1C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300002822967	1	49	0.0	-64.30	368.43	8.88	-55.42
CC1C(C(=O)[O-])CCN1C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300002822967	1	49	0.0	-66.28	357.82	8.54	-57.74
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])C2C)CC1	REAL300002822994	0	51	0.0	-70.79	366.69	6.75	-64.04
CC(C)N1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])C2C)CC1	REAL300002822994	1	51	0.0	-71.80	367.85	6.58	-65.22
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C(=O)[O-])C2C)CC1	REAL300002822995	0	54	0.0	-69.61	388.33	7.55	-62.06
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C(=O)[O-])C2C)CC1	REAL300002822995	1	54	0.0	-74.59	390.53	7.50	-67.09
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(C(=O)[O-])C3C)CC2)=C1	REAL300002823000	0	55	0.0	-76.19	410.22	9.61	-66.58
CC1C(C(=O)[O-])CCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002823001	0	52	0.0	-76.59	390.17	9.08	-67.51
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002823005	0	49	0.0	-84.30	363.43	8.88	-75.42
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002823005	1	49	0.0	-74.32	367.95	8.67	-65.65
CC(C(=O)N1CCC(C(=O)[O-])C1C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002823009	0	47	0.0	-65.29	346.55	9.79	-55.50
CC(C(=O)N1CCC(C(=O)[O-])C1C)[N@H+]1CCC2=CC=CC=C2C1	REAL300002823009	1	47	0.0	-66.28	351.14	9.82	-56.46
CC(C(=O)N1CCC(C(=O)[O-])C1C)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300002823011	1	52	0.0	-69.48	377.28	8.43	-61.05
CCC(CC)C(C(=O)N1CCC(C(=O)[O-])C1C)[NH+]1CCOCC1	REAL300002823021	1	53	0.0	-61.81	358.80	7.69	-54.12
CC1C(C(=O)[O-])CCN1C(=O)C(C1=CC=CC(Br)=C1)[NH+]1CCCC1	REAL300002823034	1	47	0.0	-60.74	375.72	10.63	-50.11
CC1C(C(=O)[O-])CCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002823035	0	50	0.0	-76.17	376.22	10.81	-65.36
CC1C(C(=O)[O-])CCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002823035	1	50	0.0	-76.29	377.75	10.82	-65.47
CC1C(C(=O)[O-])CCN1C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300002823050	1	44	0.0	-77.23	332.60	6.76	-70.47
CC1C(C(=O)[O-])CCN1C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300002823050	1	44	0.0	-76.86	334.19	6.85	-70.01
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002823060	0	50	0.0	-74.92	380.96	10.70	-64.22
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002823060	1	50	0.0	-74.32	379.50	10.59	-63.73
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300002823061	1	46	0.0	-61.89	348.90	8.07	-53.82
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300002823061	1	46	0.0	-61.71	343.28	7.77	-53.94
CC1C(C(=O)[O-])CCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002823063	0	51	0.0	-76.29	386.60	8.36	-67.93
CC1C(C(=O)[O-])CCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002823094	0	50	0.0	-70.38	352.40	9.25	-61.13
CC1C(C(=O)[O-])CCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300002823094	1	50	0.0	-68.65	358.96	9.48	-59.17
CC1C(C(=O)[O-])CCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300002823109	0	55	0.0	-75.04	402.83	9.62	-65.42
CC1C(C(=O)[O-])CCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300002823109	1	55	0.0	-81.74	406.99	9.50	-72.24
CC(C)[N@@H+]1CCC(C(=O)N2CCC(C(=O)[O-])C2C)C(C2=CN(C)N=C2)C1	REAL300002823115	0	56	0.0	-68.82	402.19	9.29	-59.53
CC(C)[N@H+]1CCC(C(=O)N2CCC(C(=O)[O-])C2C)C(C2=CN(C)N=C2)C1	REAL300002823115	1	56	0.0	-68.01	405.00	9.20	-58.81
CC1C(C(=O)[O-])CCN1C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1	REAL300002823116	0	50	0.0	-82.72	375.63	7.91	-74.81
CC1C(C(=O)[O-])CCN1C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1	REAL300002823116	1	50	0.0	-75.27	353.18	7.33	-67.94
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300002823121	0	52	0.0	-71.03	384.45	8.06	-62.97
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300002823122	0	52	0.0	-65.95	386.18	8.09	-57.86
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300002823122	1	52	0.0	-83.90	389.39	7.99	-75.91
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300002823123	0	53	0.0	-80.86	395.75	9.77	-71.09
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002823195	0	54	0.0	-85.55	404.54	7.85	-77.70
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002823197	0	50	0.0	-69.23	368.21	10.47	-58.76
CC1C(C(=O)[O-])CCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002823197	1	50	0.0	-60.95	365.81	10.33	-50.62
CC1C(C(=O)[O-])CCN1C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300002823251	0	48	0.0	-69.12	361.10	7.01	-62.11
CC1C(C(=O)[O-])CCN1C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002823251	1	48	0.0	-67.54	363.67	6.98	-60.56
CC1C(C(=O)[O-])CCN1C(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1	REAL300002823255	0	46	0.0	-59.55	353.79	9.59	-49.96
CC[NH+](CC)C(C(=O)N1CCC(C(=O)[O-])C1C)C1=CC=CC(C(F)(F)F)=C1	REAL300002823257	0	52	0.0	-66.99	383.99	10.81	-56.18
CC1C(C(=O)[O-])CCN1C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1	REAL300002823281	1	48	0.0	-60.22	361.74	10.31	-49.91
CC(C)C(C(=O)N1CCC(C(=O)[O-])C1C)[NH+]1CC(C)OC(C)C1	REAL300002823282	1	53	0.0	-61.58	363.30	7.29	-54.29
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300002823304	1	48	0.0	-83.77	360.52	9.06	-74.71
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300002823304	1	48	0.0	-84.81	365.42	9.09	-75.72
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C2C)O1	REAL300002823354	0	46	0.0	-73.74	344.31	8.50	-65.24
CC1=CC=C(N2CCC(C(=O)N3CCC(C(=O)[O-])C3C)CC2)[NH+]=C1	REAL300002823356	1	49	0.0	-58.37	355.87	8.15	-50.22
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(C(=O)[O-])C3C)C=C2)CC1	REAL300002823359	0	55	0.0	-80.90	399.31	9.07	-71.83
CC1C(C(=O)[O-])CCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300002823368	1	38	0.0	-78.58	309.61	6.66	-71.92
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])C1C	REAL300002823399	0	50	0.0	-76.88	370.83	10.36	-66.52
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])C1C	REAL300002823399	1	50	0.0	-70.10	371.10	10.66	-59.44
CC1C(C(=O)[O-])CCN1C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002823415	0	51	0.0	-84.10	398.66	10.17	-73.93
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002823431	0	47	0.0	-74.60	353.52	9.19	-65.41
CC1C(C(=O)[O-])CCN1C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300002823457	0	49	0.0	-76.83	366.88	8.62	-68.21
CC1C(C(=O)[O-])CCN1C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300002823457	1	49	0.0	-68.45	358.76	8.52	-59.93
CC1C(C(=O)[O-])CCN1C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300002823650	0	51	0.0	-72.17	379.59	10.88	-61.29
CC1C(C(=O)[O-])CCN1C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300002823650	1	51	0.0	-76.16	373.82	10.69	-65.47
CC1C(C(=O)[O-])CCN1C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300002823678	1	50	0.0	-74.22	372.55	10.53	-63.69
CC1C(C(=O)[O-])CCN1C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300002823678	1	50	0.0	-69.49	369.32	10.38	-59.11
CC1C(C(=O)[O-])CCN1C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300002823741	0	40	0.0	-85.11	306.06	7.27	-77.84
CC1C(C(=O)[O-])CCN1C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300002823741	1	40	0.0	-85.80	308.11	7.78	-78.02
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300002824098	0	46	0.0	-75.05	348.25	9.48	-65.57
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300002824102	0	47	0.0	-81.07	360.87	8.51	-72.56
CC1C(C(=O)[O-])CCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002824167	0	53	0.0	-75.14	396.06	11.59	-63.55
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300002824169	1	51	0.0	-83.52	384.37	8.91	-74.61
CC1C(C(=O)[O-])CCN1C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300002824169	1	51	0.0	-88.79	386.10	9.00	-79.79
CCCN(CC(=O)[O-])C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002825134	0	49	0.0	-57.63	375.55	11.21	-46.42
CCCN(CC(=O)[O-])C(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1	REAL300002826206	1	48	0.0	-76.10	380.18	8.89	-67.21
CCCN(CC(=O)[O-])C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002826241	0	52	0.0	-67.08	410.18	10.92	-56.16
CCCN(CC(=O)[O-])C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300002826246	0	52	0.0	-71.74	404.60	12.75	-58.99
CCCN(CC(=O)[O-])C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300002826246	1	52	0.0	-71.51	404.50	12.76	-58.75
CCCN(CC(=O)[O-])C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002826333	0	42	0.0	-71.28	340.17	8.36	-62.92
CCCN(CC(=O)[O-])C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002826350	0	50	0.0	-60.33	357.22	8.05	-52.28
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1	REAL300002826362	0	51	0.0	-65.93	369.91	10.48	-55.45
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1	REAL300002826362	1	51	0.0	-64.29	374.80	10.79	-53.50
CCCN(CC(=O)[O-])C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002826376	0	46	0.0	-50.33	350.86	10.30	-40.03
CCCN(CC(=O)[O-])C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002826376	1	46	0.0	-50.27	355.86	10.40	-39.87
CCCN(CC(=O)[O-])C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002826377	0	47	0.0	-62.88	351.81	9.52	-53.36
CCCN(CC(=O)[O-])C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002826395	0	50	0.0	-49.11	352.08	8.08	-41.03
CCCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002826402	0	52	0.0	-59.89	398.02	12.05	-47.84
CCCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002826402	1	52	0.0	-52.34	395.77	11.94	-40.40
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002826436	0	46	0.0	-67.41	352.56	10.30	-57.11
CCCN(CC(=O)[O-])C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002826439	0	49	0.0	-70.11	372.28	11.11	-59.00
CCCN(CC(=O)[O-])C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1	REAL300002826445	0	57	0.0	-57.75	405.30	8.70	-49.05
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300002826450	1	53	0.0	-70.54	403.47	10.11	-60.43
CCCN(CC(=O)[O-])C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002826459	1	50	0.0	-59.39	383.66	10.64	-48.75
CCCN(CC(=O)[O-])C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002826459	1	50	0.0	-57.91	385.23	10.50	-47.41
CCCN(CC(=O)[O-])C(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1	REAL300002826472	1	40	0.0	-75.39	326.88	7.64	-67.75
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002826475	0	49	0.0	-67.83	369.88	11.03	-56.80
CCCN(CC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002826486	1	47	0.0	-58.95	359.28	9.84	-49.11
CCCN(CC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002826486	1	47	0.0	-57.47	354.74	9.67	-47.80
CCCN(CC(=O)[O-])C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002826494	0	55	0.0	-41.22	405.33	12.33	-28.89
CCCN(CC(=O)[O-])C(=O)CC[N@H+](C)CCOCCOC	REAL300002826511	0	49	0.0	-50.46	384.29	6.81	-43.65
CCCN(CC(=O)[O-])C(=O)CC[N@@H+](C)CCOCCOC	REAL300002826511	1	49	0.0	-52.13	384.24	6.80	-45.33
CCCN(CC(=O)[O-])C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002826517	0	54	0.0	-58.57	410.41	10.32	-48.25
CCCN(CC(=O)[O-])C(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300002826533	0	53	0.0	-60.11	392.96	8.16	-51.95
CCCN(CC(=O)[O-])C(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300002826533	1	53	0.0	-54.39	389.27	7.94	-46.45
CCCN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300002826537	0	54	0.0	-52.85	410.31	10.19	-42.66
CCCN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002826538	0	51	0.0	-52.46	388.91	9.52	-42.94
CCCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002826541	0	48	0.0	-53.13	361.43	9.54	-43.59
CCCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002826541	1	48	0.0	-56.87	359.30	9.58	-47.29
CCCN(CC(=O)[O-])C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002826544	1	46	0.0	-40.65	349.19	10.43	-30.22
CCCN(CC(=O)[O-])C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300002826544	1	46	0.0	-39.00	351.91	10.41	-28.59
CCCN(CC(=O)[O-])C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002826558	0	49	0.0	-57.76	378.45	11.33	-46.43
CCCN(CC(=O)[O-])C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002826558	1	49	0.0	-57.44	376.36	11.22	-46.22
CCCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002826569	0	49	0.0	-53.33	372.94	11.37	-41.96
CCCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002826569	1	49	0.0	-54.32	370.79	11.41	-42.91
CCCN(CC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002826571	0	50	0.0	-51.39	386.63	8.94	-42.45
CCCN(CC(=O)[O-])C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300002826595	0	51	0.0	-71.14	389.39	8.69	-62.45
CCCN(CC(=O)[O-])C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300002826596	0	51	0.0	-71.48	388.46	8.51	-62.97
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300002826596	1	51	0.0	-68.04	386.71	8.53	-59.51
CCCN(CC(=O)[O-])C(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300002826597	0	52	0.0	-69.22	389.70	10.07	-59.15
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300002826621	0	53	0.0	-71.08	401.88	8.39	-62.69
CCCN(CC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300002826623	0	49	0.0	-48.26	366.51	11.30	-36.96
CCCN(CC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300002826623	1	49	0.0	-57.82	367.87	11.22	-46.60
CCCN(CC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300002826688	1	47	0.0	-62.49	365.70	9.69	-52.80
CCCN(CC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300002826688	1	47	0.0	-76.46	362.38	9.47	-66.99
CCCN(CC(=O)[O-])C(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300002826721	1	48	0.0	-56.51	368.47	9.05	-47.46
CCCN(CC(=O)[O-])C(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300002826724	0	54	0.0	-69.61	396.65	9.59	-60.02
CCCN(CC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300002826745	0	49	0.0	-59.17	378.89	11.05	-48.12
CCCN(CC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300002826745	1	49	0.0	-50.01	376.07	11.25	-38.76
CCCN(CC(=O)[O-])C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002826758	0	50	0.0	-69.40	397.97	10.66	-58.74
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002826767	0	46	0.0	-55.40	358.12	9.90	-45.50
CCCN(CC(=O)[O-])C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300002827162	0	46	0.0	-67.47	358.43	9.02	-58.45
CCCN(CC(=O)[O-])C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002827206	0	52	0.0	-56.81	395.81	12.12	-44.69
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300002827208	1	50	0.0	-69.26	376.00	9.40	-59.86
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300002827208	1	50	0.0	-69.49	376.04	9.40	-60.09
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300002827947	0	47	0.0	-54.03	380.70	11.62	-42.41
C[NH+](C)CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002827991	0	36	0.0	-45.27	308.78	8.74	-36.53
CC(C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1)N1CC[NH+](C)CC1	REAL300002827992	1	48	0.0	-54.23	384.01	8.63	-45.60
C[N@@H+]1CCCC[C@H]1C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828008	0	43	0.0	-38.01	352.77	10.49	-27.52
C[N@H+]1CCCC[C@H]1C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828008	1	43	0.0	-47.16	346.40	10.14	-37.02
C[NH+]1CCC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC1	REAL300002828023	0	43	0.0	-55.32	354.45	10.35	-44.97
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002828039	0	38	0.0	-60.30	349.39	12.33	-47.97
C[N@@H+]1CCCC1C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828061	0	40	0.0	-41.53	323.40	9.33	-32.20
C[N@H+]1CCCC1C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828061	1	40	0.0	-33.94	327.26	9.26	-24.68
C[NH+]1CCC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC1	REAL300002828086	0	43	0.0	-55.32	354.45	10.35	-44.97
CC1=[NH+]C=CN1CCCC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828104	1	44	0.0	-51.44	385.88	11.95	-39.49
C[C@@H](C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1)[NH+](C)C	REAL300002828107	0	39	0.0	-48.13	326.96	9.27	-38.86
C[N@@H+]1CCC[C@@H]1C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828108	0	40	0.0	-36.34	332.33	9.45	-26.89
C[N@H+]1CCC[C@@H]1C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828108	1	40	0.0	-39.39	339.07	9.79	-29.60
C[C@H](C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1)[NH+](C)C	REAL300002828111	0	39	0.0	-43.43	331.55	9.38	-34.05
CCC(C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1)[NH+](CC)CC	REAL300002828154	0	48	0.0	-40.13	370.87	10.87	-29.26
C[N@@H+]1CCOC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002828162	1	41	0.0	-33.10	336.20	8.95	-24.15
C[N@H+]1CCOC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002828162	1	41	0.0	-43.95	343.97	9.16	-34.79
CC(C)C1=[NH+]C=CN1CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828168	1	44	0.0	-43.08	380.57	11.74	-31.34
C[NH+](C)CC1(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC1	REAL300002828174	0	43	0.0	-53.45	357.71	10.43	-43.02
C[NH+](C)CCCCC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828177	0	45	0.0	-57.56	374.14	10.92	-46.64
CNC1=[NH+]C(C)=CC=C1C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828195	1	42	0.0	-41.20	367.64	9.60	-31.60
CCC[N@H+](C)CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828197	0	42	0.0	-41.00	348.10	10.14	-30.86
CCC[N@@H+](C)CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828197	1	42	0.0	-43.02	354.14	10.41	-32.61
C[N@H+](CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1)C1CCC1	REAL300002828206	0	43	0.0	-40.98	361.11	10.97	-30.01
C[N@@H+](CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1)C1CCC1	REAL300002828206	1	43	0.0	-40.44	354.99	10.70	-29.74
C[N@H+](CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1)CC(C)(C)C	REAL300002828216	0	48	0.0	-40.74	385.05	11.56	-29.18
C[N@@H+](CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1)CC(C)(C)C	REAL300002828216	1	48	0.0	-42.21	384.70	11.54	-30.67
CC[C@@H](C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1)[NH+](C)C	REAL300002828217	0	42	0.0	-40.56	340.51	9.89	-30.67
C[N@@H+]1CCCC(O)(CC(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002828219	0	47	0.0	-53.98	369.35	8.91	-45.07
C[N@H+]1CCCC(O)(CC(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002828219	1	47	0.0	-53.23	372.64	9.29	-43.94
CCCCCC[N@H+](C)CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828229	0	51	0.0	-41.66	412.59	12.49	-29.17
CCCCCC[N@@H+](C)CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828229	1	51	0.0	-42.27	418.61	12.76	-29.51
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300002828237	1	38	0.0	-62.35	340.00	12.10	-50.25
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300002828250	0	47	0.0	-44.66	367.00	11.25	-33.41
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C1CCCC2CCC[N@H+]21	REAL300002828250	1	47	0.0	-44.40	367.00	11.20	-33.20
C[C@@H]1[C@H](C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC[N@@H+]1C	REAL300002828264	0	43	0.0	-53.39	343.26	9.65	-43.74
C[C@@H]1[C@H](C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC[N@H+]1C	REAL300002828264	1	43	0.0	-54.02	349.45	9.91	-44.11
CC[C@@H]1[C@@H](C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC[N@@H+]1C	REAL300002828266	0	46	0.0	-49.06	361.95	10.41	-38.65
CC[C@@H]1[C@@H](C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC[N@H+]1C	REAL300002828266	1	46	0.0	-55.38	373.14	10.86	-44.52
CC1C[N@H+](C)CC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)O1	REAL300002828270	1	44	0.0	-33.47	359.16	9.74	-23.73
CC1C[N@@H+](C)CC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)O1	REAL300002828270	1	44	0.0	-29.71	350.30	9.32	-20.39
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C[NH+]1CCCC1	REAL300002828273	0	40	0.0	-41.76	340.40	10.13	-31.63
CC1=[NH+]C=CN1CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828275	1	38	0.0	-44.38	344.29	10.60	-33.78
CC(C[NH+]1CCOCC1)C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828276	0	47	0.0	-50.79	382.49	9.54	-41.25
CC1CC[NH+](CC(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC1	REAL300002828293	0	46	0.0	-41.54	377.59	11.49	-30.05
CC[N@@H+]1CCOC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002828297	1	44	0.0	-52.89	359.74	9.78	-43.11
CC[N@H+]1CCOC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002828297	1	44	0.0	-33.11	355.75	9.65	-23.46
C[N@@H+]1CCCC1CCC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828309	0	46	0.0	-52.59	382.27	11.54	-41.05
C[N@H+]1CCCC1CCC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828309	1	46	0.0	-52.72	376.82	11.07	-41.65
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300002828314	0	47	0.0	-42.43	373.58	11.45	-30.98
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C1CCC2CCCC[N@H+]21	REAL300002828314	1	47	0.0	-37.64	374.80	11.42	-26.22
CC[NH+](CC)CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828321	0	42	0.0	-42.68	346.47	10.07	-32.61
CC(C)[NH+]1CCC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC1	REAL300002828322	0	49	0.0	-52.43	385.12	11.31	-41.12
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C12CC[NH+](CC1)C2	REAL300002828353	0	41	0.0	-52.90	333.40	9.13	-43.77
CCC(C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1)[NH+](C)C	REAL300002828356	0	42	0.0	-42.15	337.90	9.77	-32.38
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C12CC[N@H+](C1)CCC2	REAL300002828359	0	44	0.0	-58.60	343.86	9.76	-48.84
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C12CC[N@@H+](C1)CCC2	REAL300002828359	1	44	0.0	-52.39	342.47	9.72	-42.67
CC1CCC(C)[NH+]1CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828377	0	46	0.0	-39.80	371.86	10.90	-28.90
C#CC[NH+]1CCC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC1	REAL300002828402	0	45	0.0	-59.48	383.40	11.70	-47.78
CC(C)[N@H+](C)CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828403	0	42	0.0	-40.88	349.33	10.18	-30.70
CC(C)[N@@H+](C)CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828403	1	42	0.0	-40.31	343.29	9.92	-30.39
CC[N@H+](CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1)C1CC1	REAL300002828411	0	43	0.0	-41.03	360.16	10.80	-30.23
CC[N@@H+](CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1)C1CC1	REAL300002828411	1	43	0.0	-41.17	361.04	11.02	-30.15
CC(C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1)[NH+]1CCCCCC1	REAL300002828421	0	49	0.0	-41.28	379.64	11.56	-29.72
C[N@@H+]1CCC[C@H]1C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828423	0	40	0.0	-44.69	329.78	9.71	-34.98
C[N@H+]1CCC[C@H]1C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828423	1	40	0.0	-34.92	331.86	9.43	-25.49
CC(C)(C)[NH2+]CC(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828454	0	42	0.0	-43.27	347.73	8.44	-34.83
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)CCCC[NH+]1CCCC1	REAL300002828455	0	49	0.0	-56.96	406.24	12.35	-44.61
C[NH+](C)CC1=CC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)=NO1	REAL300002828476	1	42	0.0	-70.33	366.29	10.20	-60.13
CC(C)[N@@H+]1CCCC1C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828483	0	46	0.0	-43.84	374.40	10.90	-32.94
CC(C)[N@H+]1CCCC1C(=O)N(CC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002828483	1	46	0.0	-43.85	356.79	10.76	-33.09
C[NH+]1CCC(OCC(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC1	REAL300002828492	0	47	0.0	-61.52	388.73	10.88	-50.64
CCC[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002828550	0	49	0.0	-53.41	389.83	11.94	-41.47
CCC[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002828550	1	49	0.0	-49.94	394.28	11.80	-38.14
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C[NH+]1CCC(CO)CC1	REAL300002828561	1	47	0.0	-43.12	388.41	8.18	-34.94
CC(C)[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002828625	0	49	0.0	-46.27	390.29	11.56	-34.71
CC(C)[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002828625	1	49	0.0	-46.33	386.88	11.44	-34.89
CC1=C(C)[NH+]=C(CCC(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)N1	REAL300002828636	1	44	0.0	-45.85	385.15	10.33	-35.52
C[NH+](C)[C@H]1C[C@H](C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002828841	0	43	0.0	-47.92	352.15	10.30	-37.62
C[NH+](C)[C@H]1CC[C@@H](C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)CC1	REAL300002828845	0	49	0.0	-48.45	380.77	11.42	-37.03
CC[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002828867	0	46	0.0	-49.01	364.84	11.31	-37.70
CC[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002828867	1	46	0.0	-44.86	366.93	11.25	-33.61
C[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002828871	0	43	0.0	-53.65	355.13	10.45	-43.20
C[N@H+]1CCCC(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002828871	1	43	0.0	-56.24	354.54	10.32	-45.92
C[NH+](C)CC1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=CC(Br)=C2)O1	REAL300002828873	1	43	0.0	-50.80	374.55	10.91	-39.89
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002828876	0	45	0.0	-29.35	358.37	10.96	-18.39
O=C([O-])CN(CC1=CC=CC(Br)=C1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300002828876	1	45	0.0	-31.96	348.79	11.53	-20.43
C[NH+](C)CC(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002829327	0	39	0.0	-52.38	328.50	9.08	-43.30
C[N@@H+]1CCCC[C@H]1C(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002829338	0	46	0.0	-48.66	371.87	10.66	-38.00
C[N@H+]1CCCC[C@H]1C(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002829338	1	46	0.0	-46.61	363.22	10.46	-36.15
C[NH+]1CCC(C(=O)N(CCC(=O)[O-])CC2=CC=CC(Br)=C2)CC1	REAL300002829348	0	46	0.0	-78.71	366.87	10.43	-68.28
C[N@@H+]1CCCC1C(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002829371	0	43	0.0	-46.92	354.41	9.86	-37.06
C[N@H+]1CCCC1C(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002829371	1	43	0.0	-48.66	353.13	10.05	-38.61
C[NH+]1CCC(C(=O)N(CCC(=O)[O-])CC2=CC=CC(Br)=C2)CC1	REAL300002829390	0	46	0.0	-78.71	366.87	10.43	-68.28
C[C@@H](C(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1)[NH+](C)C	REAL300002829406	0	42	0.0	-49.82	348.67	9.60	-40.22
C[N@@H+]1CCC[C@@H]1C(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002829407	0	43	0.0	-46.91	354.43	9.87	-37.04
C[N@H+]1CCC[C@@H]1C(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002829407	1	43	0.0	-45.55	360.14	10.19	-35.36
C[C@H](C(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1)[NH+](C)C	REAL300002829410	0	42	0.0	-49.37	352.34	9.74	-39.63
CCC(C(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1)[NH+](CC)CC	REAL300002829442	0	51	0.0	-47.08	390.46	11.33	-35.75
C[N@@H+]1CCOC(C(=O)N(CCC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002829448	1	44	0.0	-47.73	355.82	9.23	-38.50
C[N@H+]1CCOC(C(=O)N(CCC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002829448	1	44	0.0	-47.94	363.69	9.43	-38.51
C[NH+](C)CC1(C(=O)N(CCC(=O)[O-])CC2=CC=CC(Br)=C2)CC1	REAL300002829457	0	46	0.0	-44.84	372.46	10.79	-34.05
C[NH+](C)CCCCC(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002829459	0	48	0.0	-59.32	393.87	11.25	-48.07
CCC[N@H+](C)CC(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002829470	0	45	0.0	-47.41	367.83	10.49	-36.92
CCC[N@@H+](C)CC(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1	REAL300002829470	1	45	0.0	-49.62	373.53	10.71	-38.91
C[N@H+](CC(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1)C1CCC1	REAL300002829476	0	46	0.0	-47.87	380.53	11.28	-36.59
C[N@@H+](CC(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1)C1CCC1	REAL300002829476	1	46	0.0	-46.29	374.72	11.05	-35.24
C[N@H+](CC(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1)CC(C)(C)C	REAL300002829482	0	51	0.0	-47.89	404.44	11.87	-36.02
C[N@@H+](CC(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1)CC(C)(C)C	REAL300002829482	1	51	0.0	-48.37	404.09	11.85	-36.52
CC[C@@H](C(=O)N(CCC(=O)[O-])CC1=CC=CC(Br)=C1)[NH+](C)C	REAL300002829483	0	45	0.0	-49.10	360.09	10.23	-38.87
C[C@@H]1[C@H](C(=O)N(CCC(=O)[O-])CC2=CC=CC(Br)=C2)CC[N@@H+]1C	REAL300002829508	0	46	0.0	-55.84	372.25	10.74	-45.10
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CC[N@@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002829851	0	49	0.0	-52.17	393.24	11.38	-40.79
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C[N@@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002829853	0	46	0.0	-57.37	365.88	10.38	-46.99
C[N@H+]1CCCC(C(=O)N(CCC(=O)[O-])CC2=CC=CC(Br)=C2)C1	REAL300002829853	1	46	0.0	-51.86	370.38	10.56	-41.30
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CCC(C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)[NH+](CC)CC	REAL300002831255	0	51	0.0	-76.07	407.13	8.79	-67.28
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CC[N@@H+]1CCOC(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300002831484	1	47	0.0	-88.20	396.02	7.51	-80.69
CC[N@H+]1CCOC(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300002831484	1	47	0.0	-85.03	388.90	7.35	-77.68
C[N@@H+]1CCCC1CCC(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831506	0	49	0.0	-82.30	408.25	8.91	-73.39
C[N@H+]1CCCC1CCC(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831506	1	49	0.0	-80.89	402.82	8.45	-72.44
O=C([O-])C1=CSC(C2=CC=CC(CNC(=O)C34CCC[NH+](CCC3)C4)=C2)=N1	REAL300002831514	0	50	0.0	-81.87	398.26	8.62	-73.25
C[N@@H+]1CC(O)CC1(C)C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831516	0	47	0.0	-83.99	389.12	4.48	-79.51
C[N@H+]1CC(O)CC1(C)C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831516	1	47	0.0	-84.54	389.03	4.50	-80.04
O=C([O-])C1=CSC(C2=CC=CC(CNC(=O)C3CCC4CCCC[N@@H+]43)=C2)=N1	REAL300002831517	0	50	0.0	-76.40	408.79	9.37	-67.03
O=C([O-])C1=CSC(C2=CC=CC(CNC(=O)C3CCC4CCCC[N@H+]43)=C2)=N1	REAL300002831517	1	50	0.0	-76.45	408.37	9.30	-67.15
CC[NH+](CC)CC(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831527	0	45	0.0	-80.33	376.97	7.78	-72.55
CC(C)[NH+]1CCC(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300002831529	0	52	0.0	-81.82	416.12	9.03	-72.79
O=C([O-])C1=CSC(C2=CC=CC(CNC(=O)C34CC[NH+](CC3)C4)=C2)=N1	REAL300002831578	0	44	0.0	-82.65	372.49	6.93	-75.72
CCC(C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)[NH+](C)C	REAL300002831581	0	45	0.0	-79.69	374.62	8.03	-71.66
O=C([O-])C1=CSC(C2=CC=CC(CNC(=O)C34CC[N@H+](C3)CCC4)=C2)=N1	REAL300002831587	0	47	0.0	-83.75	382.80	7.64	-76.11
O=C([O-])C1=CSC(C2=CC=CC(CNC(=O)C34CC[N@@H+](C3)CCC4)=C2)=N1	REAL300002831587	1	47	0.0	-82.22	382.50	7.62	-74.60
CC1CCC(C)[NH+]1CC(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831614	0	49	0.0	-78.40	398.00	8.44	-69.96
C[NH+](C)CC1=CC=CC(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300002831615	0	49	0.0	-84.03	419.02	9.89	-74.14
C[NH+](C)C1(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CCC1	REAL300002831639	0	46	0.0	-83.70	375.05	7.58	-76.12
C#CC[NH+]1CCC(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300002831654	0	48	0.0	-85.12	410.12	9.22	-75.90
CCC[N@@H+]1CCCCC1C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831655	0	52	0.0	-78.86	412.71	9.24	-69.62
CCC[N@H+]1CCCCC1C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831655	1	52	0.0	-78.43	412.71	9.24	-69.19
C[NH+](C)CC1=CC=CC=C1C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831656	0	49	0.0	-75.79	411.92	10.17	-65.62
CC(C)[N@H+](C)CC(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831657	0	45	0.0	-79.79	375.29	7.61	-72.18
CC(C)[N@@H+](C)CC(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831657	1	45	0.0	-79.58	375.28	7.62	-71.96
C[NH+](C)C(C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)C1=CC=CC=C1	REAL300002831658	1	49	0.0	-79.23	415.56	9.91	-69.32
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831663	1	50	0.0	-75.94	426.28	9.56	-66.38
O=C([O-])C1=CSC(C2=CC=CC(CNC(=O)C3CCC[N@@H+]3C3CCCC3)=C2)=N1	REAL300002831668	0	53	0.0	-77.36	428.07	10.05	-67.31
O=C([O-])C1=CSC(C2=CC=CC(CNC(=O)C3CCC[N@H+]3C3CCCC3)=C2)=N1	REAL300002831668	1	53	0.0	-80.26	418.42	9.84	-70.42
CC[N@H+](CC(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)C1CC1	REAL300002831670	0	46	0.0	-78.27	386.11	8.22	-70.05
CC[N@@H+](CC(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)C1CC1	REAL300002831670	1	46	0.0	-79.10	386.91	8.43	-70.67
CC(C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)[NH+]1CCCCCC1	REAL300002831683	0	52	0.0	-78.51	411.96	9.20	-69.31
C[N@@H+]1CCC[C@H]1C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831686	0	43	0.0	-78.83	366.78	7.46	-71.37
C[N@H+]1CCC[C@H]1C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831686	1	43	0.0	-81.56	360.87	6.96	-74.60
CC(C)(C)[NH2+]CC(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831727	0	45	0.0	-81.31	379.82	6.13	-75.18
O=C([O-])C1=CSC(C2=CC(CNC(=O)CCCC[NH+]3CCCC3)=CC=C2)=N1	REAL300002831728	0	52	0.0	-81.50	432.19	9.73	-71.77
C[N@H+](CC(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)CC1=CC=CC=C1	REAL300002831730	1	49	0.0	-86.12	417.52	10.01	-76.11
C[N@@H+](CC(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)CC1=CC=CC=C1	REAL300002831730	1	49	0.0	-86.00	417.58	10.01	-75.99
CC(C)[C@@H](C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)[NH+](C)C	REAL300002831737	0	48	0.0	-80.35	385.49	7.94	-72.41
C[NH+](C)CC1=CC(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=NO1	REAL300002831760	1	45	0.0	-88.46	398.97	7.38	-81.08
CC(C)[N@@H+]1CCCC1C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831769	0	49	0.0	-76.45	398.85	8.48	-67.97
CC(C)[N@H+]1CCCC1C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831769	1	49	0.0	-76.94	399.81	8.53	-68.41
C[NH+]1CCC(OCC(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300002831782	0	50	0.0	-86.30	420.82	8.51	-77.79
CCC[N@@H+]1CCCC(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300002831870	0	52	0.0	-76.35	418.35	9.64	-66.71
CCC[N@H+]1CCCC(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300002831870	1	52	0.0	-80.79	424.61	9.43	-71.36
CC(C)C[N@@H+]1CCCC1C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831883	0	52	0.0	-78.24	425.51	9.64	-68.60
CC(C)C[N@H+]1CCCC1C(=O)NCC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300002831883	1	52	0.0	-78.37	425.58	9.60	-68.77
O=C([O-])C1=CSC(C2=CC(CNC(=O)C[NH+]3CCC(CO)CC3)=CC=C2)=N1	REAL300002831884	1	50	0.0	-83.61	414.66	5.60	-78.01
CC(C)[N@@H+]1CCCC(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300002832001	0	52	0.0	-75.19	413.51	9.41	-65.78
CC(C)[N@H+]1CCCC(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300002832001	1	52	0.0	-75.71	413.49	9.41	-66.30
CC1=C(C)[NH+]=C(CCC(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)N1	REAL300002832016	1	47	0.0	-76.62	411.10	7.70	-68.92
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300002832347	0	46	0.0	-81.31	390.41	8.14	-73.17
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300002832351	0	52	0.0	-80.40	413.16	9.09	-71.31
CC[N@@H+]1CCCC(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300002832389	0	49	0.0	-80.24	403.09	8.68	-71.56
CC[N@H+]1CCCC(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300002832389	1	49	0.0	-80.24	403.09	8.68	-71.56
C[N@@H+]1CCCC(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300002832394	0	46	0.0	-76.64	379.19	8.24	-68.40
C[N@H+]1CCCC(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300002832394	1	46	0.0	-76.64	379.19	8.24	-68.40
CN(C)CC1=CC=C(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)O1	REAL300002832396	0	46	0.0	-85.22	404.36	8.12	-77.10
C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)O1	REAL300002832396	1	46	0.0	-85.22	404.36	8.12	-77.10
O=C([O-])C1=CSC(C2=CC=CC(CNC(=O)C34CC(C3)C[N@@H+]4C3CC3)=C2)=N1	REAL300002832403	0	48	0.0	-78.61	398.91	9.73	-68.88
CCCC(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002833670	0	52	0.0	-66.27	398.75	10.12	-56.15
CCCC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002834431	0	49	0.0	-48.31	375.77	9.04	-39.27
CCCC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002834431	1	49	0.0	-51.29	381.55	9.57	-41.72
CCCC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300002835147	1	49	0.0	-49.82	392.52	9.57	-40.25
CCCC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300002835147	1	49	0.0	-49.91	392.47	9.56	-40.35
CCCC(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300002835221	0	52	0.0	-51.48	388.51	9.81	-41.67
CCCC(CNC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300002835282	1	51	0.0	-64.58	406.48	7.93	-56.65
CCCC(CNC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002835338	0	55	0.0	-68.12	426.32	9.88	-58.24
CCCC(CNC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002835351	0	55	0.0	-74.14	432.80	12.00	-62.14
CCCC(CNC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002835351	1	55	0.0	-71.27	427.80	12.21	-59.06
CCCC(CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002835352	0	55	0.0	-59.96	406.67	10.67	-49.29
CCCC(CNC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002835390	0	52	0.0	-56.94	414.02	10.46	-46.48
CCCC(CNC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002835390	1	52	0.0	-54.71	410.65	10.54	-44.17
CCCC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002835445	1	52	0.0	-46.46	397.23	10.23	-36.23
CCCC(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002835445	1	52	0.0	-47.35	397.18	10.31	-37.04
CCCC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002835446	1	49	0.0	-50.58	382.20	9.12	-41.46
CCCC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300002835446	1	49	0.0	-46.57	376.36	9.19	-37.38
CCCC(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002835492	0	45	0.0	-68.02	362.08	7.65	-60.37
CCCC(CNC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300002835497	0	55	0.0	-71.96	426.21	9.78	-62.18
CCCC(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300002835521	0	52	0.0	-47.94	370.87	8.83	-39.11
CCCC(CNC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300002835521	1	52	0.0	-47.98	370.66	8.94	-39.04
CCCC(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002835522	0	53	0.0	-67.63	389.66	7.20	-60.43
CCCC(CNC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300002835545	1	49	0.0	-67.06	376.20	6.53	-60.53
CCCC(CNC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002835546	0	54	0.0	-69.37	391.22	9.88	-59.49
CCCC(CNC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002835546	1	54	0.0	-68.81	404.63	10.03	-58.78
CCCC(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002835567	0	49	0.0	-59.93	381.02	9.31	-50.62
CCCC(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002835567	1	49	0.0	-60.45	382.95	9.43	-51.02
CCCC(CNC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002835568	0	50	0.0	-68.69	377.76	8.56	-60.13
CCCC(CNC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300002835589	1	54	0.0	-64.92	411.36	8.23	-56.69
CCCC(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002835590	0	53	0.0	-60.55	375.26	6.82	-53.73
CCCC(CNC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002835593	0	48	0.0	-55.27	372.93	8.90	-46.37
CCCC(CNC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002835593	1	48	0.0	-52.22	367.71	9.00	-43.22
CCCC(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002835601	0	55	0.0	-60.15	416.55	11.08	-49.07
CCCC(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002835601	1	55	0.0	-60.40	416.60	11.18	-49.22
CCCC(CNC(=O)CCC[NH+](CCC)CCC)C(=O)[O-]	REAL300002835638	0	53	0.0	-59.24	390.22	9.04	-50.20
CCCC(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300002835639	1	53	0.0	-50.35	401.02	6.97	-43.38
CCCC(CNC(=O)C(C1=CC=CC=C1)[N@H+](C)CC)C(=O)[O-]	REAL300002835640	0	48	0.0	-45.10	365.83	9.23	-35.87
CCCC(CNC(=O)C(C1=CC=CC=C1)[N@@H+](C)CC)C(=O)[O-]	REAL300002835640	1	48	0.0	-51.89	360.22	9.08	-42.81
CCCC(CNC(=O)C(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300002835644	0	51	0.0	-50.16	374.31	9.33	-40.83
CCCC(CNC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300002835647	1	45	0.0	-51.77	369.39	8.94	-42.83
CCCC(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002835661	0	49	0.0	-69.57	375.01	9.60	-59.97
CCCC(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002835668	0	52	0.0	-66.67	392.66	10.46	-56.21
CCCC(CNC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300002835674	0	60	0.0	-58.61	427.79	7.97	-50.64
CCCC(CNC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300002835680	1	56	0.0	-73.41	430.93	9.30	-64.11
CCCC(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002835691	1	53	0.0	-68.83	405.49	9.42	-59.41
CCCC(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002835691	1	53	0.0	-66.95	400.56	9.61	-57.34
CCCC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002835705	0	52	0.0	-43.77	390.83	10.17	-33.60
CCCC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300002835705	1	52	0.0	-50.38	381.40	10.10	-40.28
CCCC(CNC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002835707	1	43	0.0	-71.62	347.09	6.87	-64.75
CCCC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002835715	0	52	0.0	-69.90	392.33	10.33	-59.57
CCCC(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300002835726	1	45	0.0	-74.03	361.35	7.02	-67.01
CCCC(CNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002835727	0	48	0.0	-74.78	378.59	9.26	-65.52
CCCC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002835734	1	50	0.0	-50.39	384.94	8.79	-41.60
CCCC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002835734	1	50	0.0	-61.64	384.89	8.80	-52.84
CCCC(CNC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300002835739	0	59	0.0	-62.24	434.95	11.49	-50.75
CCCC(CNC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300002835739	1	59	0.0	-62.83	442.13	11.76	-51.07
CCCC(CNC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002835747	0	58	0.0	-50.96	431.19	11.49	-39.47
CCCC(CNC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002835778	0	48	0.0	-57.37	377.08	9.37	-48.00
CCCC(CNC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002835778	1	48	0.0	-54.16	372.06	9.47	-44.69
CCCC(CNC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300002835779	0	52	0.0	-58.90	401.10	5.66	-53.24
CCCC(CNC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300002835779	1	52	0.0	-56.60	401.06	5.64	-50.96
CCCC(CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002835788	0	57	0.0	-66.62	432.24	9.07	-57.55
CCCC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300002835789	1	51	0.0	-51.15	391.60	8.32	-42.83
CCCC(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300002835789	1	51	0.0	-57.70	382.14	8.18	-49.52
CCCC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300002835790	1	51	0.0	-53.55	382.06	8.07	-45.48
CCCC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C(=O)[O-]	REAL300002835790	1	51	0.0	-52.30	377.06	8.26	-44.04
CCCC(CNC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002835819	0	53	0.0	-61.00	388.27	6.20	-54.80
CCCC(CNC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002835819	1	53	0.0	-56.25	384.54	6.11	-50.14
CCCC(CNC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002835820	0	56	0.0	-63.06	414.79	6.91	-56.15
CCCC(CNC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002835820	1	56	0.0	-62.53	411.11	6.70	-55.83
CCCC(CNC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300002835825	0	57	0.0	-60.15	427.07	9.14	-51.01
CCCC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002835826	0	54	0.0	-62.78	410.74	8.27	-54.51
CCCC(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002835830	0	51	0.0	-60.68	389.02	8.45	-52.23
CCCC(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002835830	1	51	0.0	-64.22	393.95	8.36	-55.86
CCCC(CNC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002835834	1	49	0.0	-52.82	373.40	9.43	-43.39
CCCC(CNC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002835834	1	49	0.0	-50.91	368.13	9.70	-41.21
CCCC(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002835861	0	52	0.0	-65.46	402.98	10.16	-55.30
CCCC(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002835861	1	52	0.0	-65.99	402.75	10.16	-55.83
CCCC(CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002835886	0	52	0.0	-60.85	400.45	10.28	-50.57
CCCC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002835886	1	52	0.0	-59.65	400.45	10.38	-49.27
CCCC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300002835887	1	48	0.0	-45.36	373.71	8.21	-37.15
CCCC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300002835887	1	48	0.0	-54.41	373.27	7.98	-46.43
CCCC(CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002835889	0	53	0.0	-62.21	408.46	7.68	-54.53
CCCC(CNC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002835921	1	52	0.0	-66.06	390.41	8.56	-57.50
CCCC(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002835922	0	52	0.0	-54.17	377.54	9.00	-45.17
CCCC(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002835922	1	52	0.0	-56.30	378.19	8.89	-47.41
CCCC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002835938	0	57	0.0	-63.08	424.18	9.44	-53.64
CCCC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300002835938	1	57	0.0	-59.46	424.69	9.53	-49.93
CCCC(CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300002835942	0	49	0.0	-59.83	358.76	6.02	-53.81
CCCC(CNC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002835946	0	58	0.0	-65.43	431.27	9.02	-56.41
CCCC(CNC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002835946	1	58	0.0	-60.76	418.69	8.10	-52.66
CCCC(CNC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002835947	0	52	0.0	-70.43	389.32	7.41	-63.02
CCCC(CNC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300002835947	1	52	0.0	-66.60	381.17	7.23	-59.37
CCCC(CNC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300002835952	0	54	0.0	-70.01	414.77	7.84	-62.17
CCCC(CNC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002835953	0	54	0.0	-66.10	408.75	7.86	-58.24
CCCC(CNC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300002835953	1	54	0.0	-72.74	414.17	7.72	-65.02
CCCC(CNC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300002835954	0	55	0.0	-68.80	416.07	9.64	-59.16
CCCC(CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002836029	0	56	0.0	-73.39	429.32	7.58	-65.81
CCCC(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002836031	0	52	0.0	-60.42	399.06	10.12	-50.30
CCCC(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002836031	1	52	0.0	-60.45	399.03	10.12	-50.33
CCCC(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002836086	0	50	0.0	-53.87	385.67	6.54	-47.33
CCCC(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002836086	1	50	0.0	-58.20	391.14	6.34	-51.86
CCCC(CNC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300002836090	0	48	0.0	-57.04	378.27	8.97	-48.07
CCCC(CNC(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300002836092	0	54	0.0	-50.85	415.35	10.28	-40.57
CCCC(CNC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300002836117	1	55	0.0	-47.37	397.29	8.28	-39.09
CCCC(CNC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002836140	1	50	0.0	-74.26	386.05	9.01	-65.25
CCCC(CNC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002836140	1	50	0.0	-73.34	385.31	8.91	-64.43
CCCC(CNC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300002836190	0	48	0.0	-64.91	377.80	8.10	-56.81
CCCC(CNC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300002836192	1	51	0.0	-59.14	386.89	8.21	-50.93
CCCC(CNC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300002836195	0	57	0.0	-70.48	419.02	8.99	-61.49
CCCC(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002836204	1	40	0.0	-72.62	337.24	6.37	-66.25
CCCC(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002836235	0	52	0.0	-59.78	394.54	10.14	-49.64
CCCC(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002836235	1	52	0.0	-63.18	399.45	9.94	-53.24
CCCC(CNC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002836251	0	53	0.0	-70.88	415.37	9.60	-61.28
CCCC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002836267	0	49	0.0	-66.90	384.09	8.61	-58.29
CCCC(CNC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002836293	0	51	0.0	-50.83	386.85	8.23	-42.60
CCCC(CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300002836293	1	51	0.0	-56.70	386.14	8.38	-48.32
CCCC(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002836494	0	53	0.0	-53.72	406.81	10.42	-43.30
CCCC(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300002836494	1	53	0.0	-55.03	407.51	10.44	-44.59
CCCC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300002836523	1	52	0.0	-52.96	403.03	10.15	-42.81
CCCC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300002836523	1	52	0.0	-55.08	388.55	10.09	-44.99
CCCC(CNC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002836591	0	42	0.0	-50.60	329.54	6.52	-44.08
CCCC(CNC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002836591	1	42	0.0	-66.42	332.38	6.66	-59.76
CCCC(CNC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300002836961	0	48	0.0	-72.33	378.58	9.26	-63.07
CCCC(CNC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002836965	0	49	0.0	-70.05	380.87	8.31	-61.74
CCCC(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002837032	0	55	0.0	-62.01	412.63	10.96	-51.05
CCCC(CNC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002837034	1	53	0.0	-70.82	398.36	8.79	-62.03
CCCC(CNC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002837034	1	53	0.0	-70.86	398.37	8.79	-62.07
O=C([O-])C1=CN(CCNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)N=N1	REAL300002838435	0	49	0.0	-90.41	395.77	7.41	-83.00
O=C([O-])C1=CN(CCNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)N=N1	REAL300002839203	0	46	0.0	-80.51	380.05	6.89	-73.62
O=C([O-])C1=CN(CCNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)N=N1	REAL300002839203	1	46	0.0	-78.57	372.42	6.29	-72.28
O=C([O-])C1=CN(CCNC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)N=N1	REAL300002840061	1	46	0.0	-82.23	389.20	6.82	-75.41
O=C([O-])C1=CN(CCNC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)N=N1	REAL300002840061	1	46	0.0	-81.65	389.16	6.81	-74.84
O=C([O-])C1=CN(CCNC(=O)C2CC[NH+](C3CC3)CC2)N=N1	REAL300002840138	0	43	0.0	-83.51	344.04	5.04	-78.47
CC1=[NH+]C=C2CCC(C(=O)NCCN3C=C(C(=O)[O-])N=N3)CN21	REAL300002840168	1	41	0.0	-76.07	342.28	4.92	-71.15
O=C([O-])C1=CN(CCNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)N=N1	REAL300002840169	0	49	0.0	-78.77	398.37	7.36	-71.41
CC1=NC(C[NH+]2CCC(C(=O)NCCN3C=C(C(=O)[O-])N=N3)CC2)=CS1	REAL300002840245	1	48	0.0	-88.39	403.11	5.17	-83.22
CC(C(=O)NCCN1C=C(C(=O)[O-])N=N1)N1CC[NH+](C)CC1	REAL300002840246	1	44	0.0	-80.25	345.57	2.00	-78.25
C[NH+](C)CCOC1=CC=C(CCC(=O)NCCN2C=C(C(=O)[O-])N=N2)C=C1	REAL300002840332	0	52	0.0	-86.08	428.69	6.93	-79.15
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)=C1	REAL300002840344	0	52	0.0	-87.93	429.49	9.25	-78.68
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)=C1	REAL300002840344	1	52	0.0	-87.13	429.39	9.26	-77.87
CC1(C(=O)NCCN2C=C(C(=O)[O-])N=N2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002840346	0	52	0.0	-80.13	408.37	7.82	-72.31
O=C([O-])C1=CN(CCNC(=O)C2=CN3C=[NH+]C=C3C=C2)N=N1	REAL300002840405	0	34	0.0	-82.24	304.79	5.67	-76.57
C[NH+](C)CC1(C(=O)NCCN2C=C(C(=O)[O-])N=N2)CCCCC1	REAL300002840435	0	48	0.0	-84.03	359.01	5.83	-78.20
C[N@H+](CCC(=O)NCCN1C=C(C(=O)[O-])N=N1)C1CCCCC1	REAL300002840439	0	48	0.0	-83.90	373.04	5.78	-78.12
C[N@@H+](CCC(=O)NCCN1C=C(C(=O)[O-])N=N1)C1CCCCC1	REAL300002840439	1	48	0.0	-83.88	373.04	5.76	-78.12
O=C([O-])C1=CN(CCNC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)N=N1	REAL300002840462	1	49	0.0	-83.06	399.71	7.40	-75.66
O=C([O-])C1=CN(CCNC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)N=N1	REAL300002840462	1	49	0.0	-82.97	390.24	7.24	-75.73
O=C([O-])C1=CN(CCNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)N=N1	REAL300002840463	1	46	0.0	-83.06	378.88	6.37	-76.69
O=C([O-])C1=CN(CCNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)N=N1	REAL300002840463	1	46	0.0	-82.50	378.84	6.36	-76.14
O=C([O-])C1=CN(CCNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)N=N1	REAL300002840519	0	42	0.0	-88.67	363.85	4.80	-83.87
C[NH+](C)CCN1N=CC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)=C1C1=CC=CC=C1	REAL300002840524	0	52	0.0	-88.62	427.92	6.92	-81.70
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CC[N@H+](CC1=CC=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C=C1)C(C)C	REAL300002840584	0	51	0.0	-88.89	393.28	6.91	-81.98
CC[N@@H+](CC1=CC=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C=C1)C(C)C	REAL300002840584	1	51	0.0	-86.85	392.09	6.85	-80.00
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CC(C(=O)NCCN1C=C(C(=O)[O-])N=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300002840643	1	45	0.0	-82.27	369.40	6.15	-76.12
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CCC[NH+](CCC)CCCC(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002840694	0	50	0.0	-82.79	392.71	6.10	-76.69
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CC[N@@H+](C)C(C(=O)NCCN1C=C(C(=O)[O-])N=N1)C1=CC=CC=C1	REAL300002840696	1	45	0.0	-77.08	368.01	6.29	-70.79
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CC1C[NH+](CC2=CC=C(C(=O)NCCN3C=C(C(=O)[O-])N=N3)C=C2)CC(C)O1	REAL300002840744	1	53	0.0	-92.90	427.66	6.55	-86.35
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O=C([O-])C1=CN(CCNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)N=N1	REAL300002840781	0	49	0.0	-89.96	394.03	7.47	-82.49
O=C([O-])C1=CN(CCNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)N=N1	REAL300002840793	1	42	0.0	-86.41	359.11	4.35	-82.06
C[NH+](C)CCC1=CC=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C=C1	REAL300002840794	0	45	0.0	-91.56	375.27	6.50	-85.06
CNC1=[NH+]C(C)=CC=C1C(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002840805	1	38	0.0	-74.97	323.93	3.24	-71.73
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CC(C(=O)NCCN1C=C(C(=O)[O-])N=N1)[NH+]1CCSCC1	REAL300002840860	1	40	0.0	-81.49	330.00	4.03	-77.46
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002840867	0	45	0.0	-84.57	373.76	6.62	-77.95
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002840867	1	45	0.0	-84.64	373.76	6.62	-78.02
COCCOCC[N@H+](C)CCC(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002840868	0	49	0.0	-83.41	402.79	2.79	-80.62
COCCOCC[N@@H+](C)CCC(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002840868	1	49	0.0	-84.49	402.81	2.80	-81.69
C[N@@H+]1CCCC(O)(CC(=O)NCCN2C=C(C(=O)[O-])N=N2)C1	REAL300002840872	0	43	0.0	-76.47	335.26	2.34	-74.13
C[N@H+]1CCCC(O)(CC(=O)NCCN2C=C(C(=O)[O-])N=N2)C1	REAL300002840872	1	43	0.0	-75.95	344.93	2.53	-73.42
O=C([O-])C1=CN(CCNC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)N=N1	REAL300002840882	0	54	0.0	-87.83	428.93	6.32	-81.51
O=C([O-])C1=CN(CCNC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)N=N1	REAL300002840883	1	48	0.0	-83.31	388.32	5.58	-77.73
O=C([O-])C1=CN(CCNC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)N=N1	REAL300002840883	1	48	0.0	-83.13	378.83	5.44	-77.69
O=C([O-])C1=CN(CCNC(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)N=N1	REAL300002840884	1	48	0.0	-80.36	388.19	5.47	-74.89
O=C([O-])C1=CN(CCNC(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)N=N1	REAL300002840884	1	48	0.0	-80.75	378.77	5.41	-75.34
CCCCCC[N@H+](C)CC(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002840886	0	47	0.0	-82.13	378.35	5.93	-76.20
CCCCCC[N@@H+](C)CC(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002840886	1	47	0.0	-82.12	378.35	5.92	-76.20
O=C([O-])C1=CN(CCNC(=O)C2=CC3=C[NH+]=CN3C=C2)N=N1	REAL300002840898	1	34	0.0	-87.58	305.06	5.69	-81.89
C[N@H+](CC(=O)NCCN1C=C(C(=O)[O-])N=N1)C1CCSC1	REAL300002840916	0	40	0.0	-86.11	333.97	4.42	-81.69
C[N@@H+](CC(=O)NCCN1C=C(C(=O)[O-])N=N1)C1CCSC1	REAL300002840916	1	40	0.0	-87.03	333.97	4.40	-82.63
CC(C)[NH+]1CCN(CCC(=O)NCCN2C=C(C(=O)[O-])N=N2)CC1	REAL300002840931	0	50	0.0	-81.59	389.98	3.35	-78.24
CC(C)N1CC[NH+](CCC(=O)NCCN2C=C(C(=O)[O-])N=N2)CC1	REAL300002840931	1	50	0.0	-83.66	386.29	3.15	-80.51
CC(C)[NH+]1CCN(CCCC(=O)NCCN2C=C(C(=O)[O-])N=N2)CC1	REAL300002840932	0	53	0.0	-79.85	411.48	4.16	-75.69
CC(C)N1CC[NH+](CCCC(=O)NCCN2C=C(C(=O)[O-])N=N2)CC1	REAL300002840932	1	53	0.0	-83.55	407.79	3.94	-79.61
O=C([O-])C1=CN(CCNC(=O)C2CCCC3CCC[N@@H+]32)N=N1	REAL300002840933	0	43	0.0	-73.63	339.25	5.01	-68.62
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C[NH+](C)CCN1C=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C=N1	REAL300002840935	0	42	0.0	-88.97	358.94	3.67	-85.30
CC1=CC=CC(N2CC[NH+](CCC(=O)NCCN3C=C(C(=O)[O-])N=N3)CC2)=C1	REAL300002840942	0	54	0.0	-88.03	428.83	6.18	-81.85
O=C([O-])C1=CN(CCNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)N=N1	REAL300002840944	0	51	0.0	-88.26	406.92	5.48	-82.78
O=C([O-])C1=CN(CCNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)N=N1	REAL300002840947	0	48	0.0	-85.33	390.71	5.60	-79.73
O=C([O-])C1=CN(CCNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)N=N1	REAL300002840947	1	48	0.0	-83.73	384.38	5.80	-77.93
CC(C(=O)NCCN1C=C(C(=O)[O-])N=N1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002840952	1	46	0.0	-80.49	370.08	6.70	-73.79
CC(C(=O)NCCN1C=C(C(=O)[O-])N=N1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002840952	1	46	0.0	-81.39	373.00	6.54	-74.85
O=C([O-])C1=CN(CCNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)N=N1	REAL300002840980	0	49	0.0	-87.08	399.67	7.41	-79.67
O=C([O-])C1=CN(CCNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)N=N1	REAL300002840980	1	49	0.0	-87.20	400.10	7.41	-79.79
C[NH+](C)CCN1C=CC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)=N1	REAL300002840995	0	42	0.0	-93.77	359.31	3.69	-90.08
C[NH+](C)CCN1N=CC=C1C(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002840996	0	42	0.0	-74.53	354.42	3.64	-70.89
CCC1=[NH+]C=CN1C(C)CC(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002841002	1	43	0.0	-76.56	360.58	5.38	-71.18
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CC(C[NH+]1CCOCC1)C(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002841023	0	43	0.0	-83.33	345.93	2.91	-80.42
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CN1C=CN=C1C[NH+]1CCC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)CC1	REAL300002841078	1	49	0.0	-88.95	396.42	5.74	-83.21
O=C([O-])C1=CN(CCNC(=O)C2CC[N@@H+](C3CCCCC3)C2)N=N1	REAL300002841079	0	49	0.0	-81.47	379.29	6.04	-75.43
O=C([O-])C1=CN(CCNC(=O)C2CC[N@H+](C3CCCCC3)C2)N=N1	REAL300002841079	1	49	0.0	-81.70	379.27	6.05	-75.65
O=C([O-])C1=CN(CCNC(=O)C23CCC[NH+](CCC2)C3)N=N1	REAL300002841098	0	43	0.0	-81.19	332.02	4.38	-76.81
O=C([O-])C1=CN(CCNC(=O)C2CCC3CCCC[N@@H+]32)N=N1	REAL300002841102	0	43	0.0	-77.73	335.43	4.65	-73.08
O=C([O-])C1=CN(CCNC(=O)C2CCC3CCCC[N@H+]32)N=N1	REAL300002841102	1	43	0.0	-75.63	342.10	5.06	-70.57
O=C([O-])C1=CN(CCNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)N=N1	REAL300002841104	0	54	0.0	-87.23	428.18	6.23	-81.00
O=C([O-])C1=CN(CCNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)N=N1	REAL300002841104	1	54	0.0	-83.42	427.01	6.30	-77.12
CC(C)(C[NH+]1CCOCC1)C(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002841111	0	46	0.0	-78.12	355.43	3.26	-74.86
CC(C)[N@@H+]1CCC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C(C2=CN(C)N=C2)C1	REAL300002841116	0	55	0.0	-85.15	417.26	5.44	-79.71
CC(C)[N@H+]1CCC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C(C2=CN(C)N=C2)C1	REAL300002841116	1	55	0.0	-89.89	432.94	6.18	-83.71
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCCN2C=C(C(=O)[O-])N=N2)C=N1	REAL300002841117	0	49	0.0	-89.67	390.19	4.75	-84.92
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NCCN2C=C(C(=O)[O-])N=N2)C=N1	REAL300002841117	1	49	0.0	-93.07	391.02	4.55	-88.52
C[NH+]1CCN(CC2=CC=CC(C(=O)NCCN3C=C(C(=O)[O-])N=N3)=C2)CC1	REAL300002841122	0	51	0.0	-81.35	411.46	5.08	-76.27
C[NH+]1CCN(CC2=CC=C(C(=O)NCCN3C=C(C(=O)[O-])N=N3)C=C2)CC1	REAL300002841123	0	51	0.0	-86.46	411.39	5.09	-81.37
CN1CC[NH+](CC2=CC=C(C(=O)NCCN3C=C(C(=O)[O-])N=N3)C=C2)CC1	REAL300002841123	1	51	0.0	-90.90	410.86	4.97	-85.93
CC[NH+](CC)CCOC1=CC=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C=C1	REAL300002841124	0	52	0.0	-87.95	413.95	6.53	-81.42
CC(C)[NH+]1CCC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)CC1	REAL300002841131	0	45	0.0	-83.33	349.85	4.80	-78.53
O=C([O-])C1=CN(CCNC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)N=N1	REAL300002841248	0	53	0.0	-92.98	426.01	4.83	-88.15
C[NH+](C)CC1=CC=CC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)=C1	REAL300002841252	0	42	0.0	-84.01	352.83	5.66	-78.35
O=C([O-])C1=CN(CCNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)N=N1	REAL300002841253	0	49	0.0	-78.29	389.53	7.56	-70.73
O=C([O-])C1=CN(CCNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)N=N1	REAL300002841253	1	49	0.0	-78.16	389.48	7.56	-70.60
C#CC[NH+]1CCC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)CC1	REAL300002841320	0	41	0.0	-88.76	344.38	5.05	-83.71
CCC[N@@H+]1CCCCC1C(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002841322	0	45	0.0	-77.75	346.47	5.01	-72.74
CCC[N@H+]1CCCCC1C(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002841322	1	45	0.0	-76.72	355.92	5.16	-71.56
C[NH+](C)CC1=CC=CC=C1C(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002841324	0	42	0.0	-68.99	345.71	5.93	-63.06
CC[NH+]1CCN(CCC(=O)NCCN2C=C(C(=O)[O-])N=N2)CC1	REAL300002841326	0	47	0.0	-84.01	372.07	2.68	-81.33
CCN1CC[NH+](CCC(=O)NCCN2C=C(C(=O)[O-])N=N2)CC1	REAL300002841326	1	47	0.0	-83.60	373.23	2.83	-80.77
CC(C)C(C(=O)NCCN1C=C(C(=O)[O-])N=N1)[NH+]1CCCCC1	REAL300002841328	0	48	0.0	-77.05	363.99	6.28	-70.77
C[NH+](C)C(C(=O)NCCN1C=C(C(=O)[O-])N=N1)C1=CC=CC=C1	REAL300002841329	1	42	0.0	-78.44	349.31	5.67	-72.77
O=C([O-])C1=CN(CCNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)N=N1	REAL300002841333	0	47	0.0	-81.39	387.62	3.61	-77.78
O=C([O-])C1=CN(CCNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)N=N1	REAL300002841333	1	47	0.0	-80.68	387.85	3.59	-77.09
CC(C)C1=[NH+]C=CN1CCC(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002841339	1	43	0.0	-76.15	360.04	5.32	-70.83
C[NH+](C)CC1=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)OC2=CC=CC=C21	REAL300002841340	0	45	0.0	-72.45	379.91	6.02	-66.43
O=C([O-])C1=CN(CCNC(=O)C2CCC[N@@H+]2C2CCCC2)N=N1	REAL300002841345	0	46	0.0	-81.06	350.66	5.53	-75.53
O=C([O-])C1=CN(CCNC(=O)C2CCC[N@H+]2C2CCCC2)N=N1	REAL300002841345	1	46	0.0	-78.68	360.59	5.56	-73.12
CC(C)C(C(=O)NCCN1C=C(C(=O)[O-])N=N1)[NH+]1CC(C)OC(C)C1	REAL300002841373	1	52	0.0	-77.33	394.62	4.62	-72.71
CC(C(=O)NCCN1C=C(C(=O)[O-])N=N1)[NH+]1CCCCCC1	REAL300002841374	0	45	0.0	-77.74	345.72	4.96	-72.78
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCCN3C=C(C(=O)[O-])N=N3)=CC=C1N2	REAL300002841409	1	47	0.0	-87.98	387.57	6.11	-81.87
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCCN3C=C(C(=O)[O-])N=N3)=CC=C1N2	REAL300002841409	1	47	0.0	-87.98	387.78	6.07	-81.91
CC[NH+](CC)CC1=CC=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)O1	REAL300002841467	0	45	0.0	-86.71	370.45	5.08	-81.63
O=C([O-])C1=CN(CCNC(=O)CCCC[NH+]2CCCC2)N=N1	REAL300002841468	0	45	0.0	-82.79	365.95	5.49	-77.30
CC1=CC=C(N2CCC(C(=O)NCCN3C=C(C(=O)[O-])N=N3)CC2)[NH+]=C1	REAL300002841470	1	48	0.0	-81.00	388.65	5.26	-75.74
C[N@H+](CC(=O)NCCN1C=C(C(=O)[O-])N=N1)CC1=CC=CC=C1	REAL300002841471	1	42	0.0	-85.69	351.28	5.77	-79.92
C[N@@H+](CC(=O)NCCN1C=C(C(=O)[O-])N=N1)CC1=CC=CC=C1	REAL300002841471	1	42	0.0	-85.68	351.33	5.77	-79.91
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCCN3C=C(C(=O)[O-])N=N3)C=C2)CC1	REAL300002841475	0	54	0.0	-88.99	420.79	6.02	-82.97
O=C([O-])C1=CN(CCNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)N=N1	REAL300002841490	1	37	0.0	-88.07	333.93	3.62	-84.45
C[NH+](C)CC1=CC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)=NO1	REAL300002841519	1	38	0.0	-87.77	333.74	3.21	-84.56
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002841524	0	49	0.0	-89.30	399.33	7.15	-82.15
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002841524	1	49	0.0	-88.18	400.39	7.25	-80.93
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCCN2C=C(C(=O)[O-])N=N2)C=C1	REAL300002841548	0	50	0.0	-89.22	417.12	6.64	-82.58
C[NH+]1CCC(OCC(=O)NCCN2C=C(C(=O)[O-])N=N2)CC1	REAL300002841565	0	43	0.0	-88.57	354.58	4.27	-84.30
O=C([O-])C1=CN(CCNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)N=N1	REAL300002841571	0	46	0.0	-87.66	379.71	5.77	-81.89
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCCN2C=C(C(=O)[O-])N=N2)[C@@H](C(F)(F)F)C1	REAL300002841612	0	48	0.0	-87.31	388.58	5.36	-81.95
CC(C)(C)[N@H+]1C[C@H](C(=O)NCCN2C=C(C(=O)[O-])N=N2)[C@@H](C(F)(F)F)C1	REAL300002841612	1	48	0.0	-82.19	387.65	5.43	-76.76
CCC[N@@H+]1CCCC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C1	REAL300002841757	0	45	0.0	-73.97	352.14	5.40	-68.57
CCC[N@H+]1CCCC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C1	REAL300002841757	1	45	0.0	-74.12	352.13	5.40	-68.72
CC(C)C[N@@H+]1CCCC1C(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002841790	0	45	0.0	-77.46	359.54	5.34	-72.12
CC(C)C[N@H+]1CCCC1C(=O)NCCN1C=C(C(=O)[O-])N=N1	REAL300002841790	1	45	0.0	-79.07	353.57	4.83	-74.24
O=C([O-])C1=CN(CCNC(=O)C[NH+]2CCC(CO)CC2)N=N1	REAL300002841793	1	43	0.0	-82.53	348.42	1.36	-81.17
O=C([O-])C1=CN(CCNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)N=N1	REAL300002841888	0	50	0.0	-88.18	404.14	7.68	-80.50
O=C([O-])C1=CN(CCNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)N=N1	REAL300002841888	1	50	0.0	-89.00	404.42	7.64	-81.36
O=C([O-])C1=CN(CCNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)N=N1	REAL300002841927	1	49	0.0	-79.55	399.72	7.40	-72.15
O=C([O-])C1=CN(CCNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)N=N1	REAL300002841927	1	49	0.0	-80.02	390.23	7.24	-72.78
CC(C)[N@@H+]1CCCC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C1	REAL300002842016	0	45	0.0	-73.16	347.27	5.17	-67.99
CC(C)[N@H+]1CCCC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C1	REAL300002842016	1	45	0.0	-73.28	347.29	5.17	-68.11
C[N@@H+]1CC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C(C(F)(F)F)C1	REAL300002842017	0	39	0.0	-90.52	338.57	3.91	-86.61
C[N@H+]1CC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C(C(F)(F)F)C1	REAL300002842017	1	39	0.0	-86.17	331.40	3.89	-82.28
CC1=C(C)[NH+]=C(CCC(=O)NCCN2C=C(C(=O)[O-])N=N2)N1	REAL300002842043	1	40	0.0	-76.87	344.86	3.46	-73.41
C[NH+](C)CCC1=CC=CC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)=C1	REAL300002842525	0	45	0.0	-84.99	375.27	6.50	-78.49
C[NH+](C)CCOC1=CC=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C=C1	REAL300002842532	0	46	0.0	-89.81	382.57	5.44	-84.37
O=C([O-])C1=CN(CCNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)N=N1	REAL300002842622	0	52	0.0	-80.48	414.33	8.11	-72.37
CC1C[N@H+](CC2=CC=C(C(=O)NCCN3C=C(C(=O)[O-])N=N3)C=C2)CCO1	REAL300002842624	1	50	0.0	-92.41	400.14	5.83	-86.58
CC1C[N@@H+](CC2=CC=C(C(=O)NCCN3C=C(C(=O)[O-])N=N3)C=C2)CCO1	REAL300002842624	1	50	0.0	-92.54	400.15	5.83	-86.71
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCN2C=C(C(=O)[O-])N=N2)CC1	REAL300002842667	0	45	0.0	-76.45	346.95	4.87	-71.58
CC(C)C[N@@H+]1CCCC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C1	REAL300002842733	0	48	0.0	-81.16	376.08	5.89	-75.27
CC(C)C[N@H+]1CCCC(C(=O)NCCN2C=C(C(=O)[O-])N=N2)C1	REAL300002842733	1	48	0.0	-81.16	376.08	5.89	-75.27
CN(C)CC1=CC=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)O1	REAL300002842739	0	39	0.0	-89.08	339.16	3.99	-85.09
C[NH+](C)CC1=CC=C(C(=O)NCCN2C=C(C(=O)[O-])N=N2)O1	REAL300002842739	1	39	0.0	-89.08	339.16	3.99	-85.09
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCN2C=C(C(=O)[O-])N=N2)C1	REAL300002842745	0	48	0.0	-83.49	364.63	5.31	-78.18
C[N@H+]1CCCC(C(C)(C)C(=O)NCCN2C=C(C(=O)[O-])N=N2)C1	REAL300002842745	1	48	0.0	-83.49	364.63	5.31	-78.18
O=C([O-])C1=CN(CCNC(=O)C23CC(C2)C[N@@H+]3C2CC2)N=N1	REAL300002842748	0	41	0.0	-81.81	331.89	5.69	-76.12
CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002843778	0	59	0.0	-70.00	454.10	13.09	-56.91
CC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002844355	0	56	0.0	-49.18	420.92	12.21	-36.97
CC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002844355	1	56	0.0	-42.85	416.75	11.76	-31.09
CC(NC(=O)C1CC[NH+](C2CC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845211	0	53	0.0	-62.72	406.87	10.94	-51.78
CC(NC(=O)C1CCC[N@@H+]1C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845236	0	50	0.0	-53.23	373.79	10.12	-43.11
CC(NC(=O)C1CCC[N@H+]1C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845236	1	50	0.0	-51.38	377.64	9.52	-41.86
CC1=[NH+]C=C2CCC(C(=O)NC(C)C(CC3=CC=CC=C3)C(=O)[O-])CN21	REAL300002845242	1	51	0.0	-50.04	388.76	10.41	-39.63
CC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845243	0	59	0.0	-52.71	449.09	12.89	-39.82
CC(NC(=O)C1CCCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845323	0	49	0.0	-54.91	365.70	9.31	-45.60
CC(NC(=O)C1CCCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845323	1	49	0.0	-51.50	358.06	9.01	-42.49
CC(NC(=O)C(C)N1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845324	1	54	0.0	-59.82	393.75	7.50	-52.32
CC(NC(=O)[C@@H]1CCCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845366	0	49	0.0	-60.45	365.66	9.30	-51.15
CC(NC(=O)[C@@H]1CCCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845366	1	49	0.0	-45.62	362.39	9.26	-36.36
CC(NC(=O)C1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845453	0	49	0.0	-66.32	377.62	9.52	-56.80
CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845483	0	44	0.0	-63.98	356.47	11.48	-52.50
CC(NC(=O)C1(C[NH+](C)C)CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845519	0	58	0.0	-42.81	421.30	11.22	-31.59
CC(NC(=O)CC[N@H+](C)C1CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845524	0	58	0.0	-58.02	425.92	11.23	-46.79
CC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845524	1	58	0.0	-52.87	417.43	11.21	-41.66
CC(NC(=O)C1CCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845541	0	46	0.0	-60.26	353.06	8.43	-51.83
CC(NC(=O)C1CCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845541	1	46	0.0	-51.94	354.05	8.66	-43.28
CC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845546	1	56	0.0	-52.48	427.35	12.29	-40.19
CC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845546	1	56	0.0	-53.62	433.30	12.81	-40.81
CC(NC(=O)C1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845598	0	49	0.0	-66.32	377.62	9.52	-56.80
CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845602	0	52	0.0	-69.57	416.67	10.28	-59.29
CC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845622	0	59	0.0	-52.65	429.88	11.65	-41.00
CC(NC(=O)C1CCCC[N@H+]1C1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845622	1	59	0.0	-53.75	425.67	11.81	-41.94
CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845623	0	60	0.0	-71.18	444.74	10.14	-61.04
CC1=[NH+]C=CN1CCCC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845659	1	50	0.0	-53.35	389.99	10.54	-42.81
CC(NC(=O)CCCC[NH+]1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845660	1	56	0.0	-65.63	425.78	9.24	-56.39
CC[N@H+](CC1=CC=C(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1)C(C)C	REAL300002845663	0	61	0.0	-67.27	446.81	12.60	-54.67
CC[N@@H+](CC1=CC=C(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1)C(C)C	REAL300002845663	1	61	0.0	-66.04	445.00	12.33	-53.71
CC(NC(=O)[C@H]1CCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845666	0	46	0.0	-58.03	358.12	8.93	-49.10
CC(NC(=O)[C@H]1CCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845666	1	46	0.0	-51.97	353.02	8.43	-43.54
CC(NC(=O)C1([NH+](C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845675	0	46	0.0	-51.08	350.99	8.67	-42.41
CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845722	0	56	0.0	-62.68	436.21	12.24	-50.44
CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845722	1	56	0.0	-64.17	438.00	12.37	-51.80
CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845723	0	57	0.0	-69.87	436.81	11.75	-58.12
CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845747	0	60	0.0	-54.44	417.15	9.49	-44.95
CCC(C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+](CC)CC	REAL300002845751	0	54	0.0	-45.51	390.88	9.99	-35.52
CC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845753	0	55	0.0	-48.23	414.01	11.61	-36.62
CC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845753	1	55	0.0	-52.32	422.29	11.65	-40.67
CC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845786	0	51	0.0	-72.45	400.25	9.99	-62.46
CCC[NH+](CCC)CCCC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845792	0	60	0.0	-64.28	448.07	11.69	-52.59
CC[N@H+](C)C(C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300002845793	0	55	0.0	-45.59	411.47	11.77	-33.82
CC[N@@H+](C)C(C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300002845793	1	55	0.0	-45.09	412.41	11.75	-33.34
CC(NC(=O)C1C[N@H+](C)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845795	1	47	0.0	-53.66	356.39	8.10	-45.56
CC(NC(=O)C1C[N@@H+](C)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845795	1	47	0.0	-50.40	357.75	7.95	-42.45
CC[NH+](CC)C(C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300002845797	0	58	0.0	-48.22	431.72	12.20	-36.02
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845806	1	50	0.0	-48.02	388.77	10.84	-37.18
CC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845811	1	52	0.0	-52.99	414.57	12.12	-40.87
CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845824	0	56	0.0	-64.30	421.10	12.21	-52.09
CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845831	0	59	0.0	-63.81	440.13	13.00	-50.81
CC(NC(=O)C1(C[NH+](C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845835	0	49	0.0	-60.44	374.77	9.86	-50.58
CC(NC(=O)CCCC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845844	0	51	0.0	-70.25	398.37	10.01	-60.24
CC(C)C(C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+](C)C	REAL300002845853	0	51	0.0	-50.03	369.33	9.67	-40.36
CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845866	0	59	0.0	-42.32	441.80	13.24	-29.08
CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845866	1	59	0.0	-44.70	428.21	12.61	-32.09
CC1=C(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300002845868	1	50	0.0	-74.68	400.47	9.82	-64.86
CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845876	0	59	0.0	-64.86	438.42	12.94	-51.92
CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845889	1	52	0.0	-69.35	403.83	9.75	-59.60
CC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845890	0	55	0.0	-73.69	428.15	12.00	-61.69
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845901	1	48	0.0	-51.24	375.62	9.06	-42.18
CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845903	1	57	0.0	-59.59	447.10	11.90	-47.69
CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845903	1	57	0.0	-64.85	437.29	12.11	-52.74
CCC[N@H+](C)CC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845912	0	48	0.0	-56.42	372.24	9.27	-47.15
CCC[N@@H+](C)CC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845912	1	48	0.0	-56.51	372.25	9.28	-47.23
CC(NC(=O)C[N@H+](C)C1CCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845934	0	49	0.0	-51.91	373.63	9.64	-42.27
CC(NC(=O)C[N@@H+](C)C1CCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845934	1	49	0.0	-46.69	369.33	10.09	-36.60
CC(NC(=O)C(C)[NH+]1CCSCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845958	1	50	0.0	-51.99	382.51	9.51	-42.48
CC(NC(=O)C[N@H+](C)CC(C)(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845964	0	54	0.0	-56.08	402.79	10.42	-45.66
CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845964	1	54	0.0	-48.30	390.95	10.51	-37.79
CC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845966	0	55	0.0	-52.33	422.25	12.55	-39.78
CC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845966	1	55	0.0	-52.08	422.25	12.55	-39.53
COCCOCC[N@H+](C)CCC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845967	0	59	0.0	-59.36	455.64	8.27	-51.09
COCCOCC[N@@H+](C)CCC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845967	1	59	0.0	-58.57	451.29	8.73	-49.84
CC[C@@H](C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+](C)C	REAL300002845971	0	48	0.0	-52.94	361.41	9.24	-43.70
CC(NC(=O)CC1(O)CCC[N@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845973	0	53	0.0	-56.36	403.33	8.22	-48.14
CC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845973	1	53	0.0	-55.80	393.03	8.00	-47.80
CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845994	1	58	0.0	-46.38	432.63	11.05	-35.33
CC(NC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845994	1	58	0.0	-48.82	432.66	11.05	-37.77
CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845995	1	58	0.0	-53.56	439.86	11.27	-42.29
CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845995	1	58	0.0	-50.41	446.55	11.17	-39.24
CCCCCC[N@H+](C)CC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845997	0	57	0.0	-57.27	436.73	11.62	-45.65
CCCCCC[N@@H+](C)CC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002845997	1	57	0.0	-57.38	436.74	11.63	-45.75
CC(NC(=O)C12CCC[NH+]1CCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846007	0	50	0.0	-47.05	372.24	9.65	-37.40
CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846015	1	44	0.0	-64.99	357.61	11.18	-53.81
CC(NC(=O)C[N@H+](C)C1CCSC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846028	0	50	0.0	-55.96	386.47	9.89	-46.07
CC(NC(=O)C[N@@H+](C)C1CCSC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846028	1	50	0.0	-51.70	383.83	10.34	-41.36
CC(C)[NH+]1CCN(CCC(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002846045	0	60	0.0	-66.17	448.37	9.03	-57.14
CC(C)N1CC[NH+](CCC(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002846045	1	60	0.0	-52.66	430.68	8.61	-44.05
CC(C)[NH+]1CCN(CCCC(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002846046	0	63	0.0	-62.59	464.36	9.63	-52.96
CC(C)N1CC[NH+](CCCC(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002846046	1	63	0.0	-59.31	456.28	9.86	-49.45
CC(NC(=O)C1CCCC2CCC[N@@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846047	0	53	0.0	-47.38	391.73	10.52	-36.86
CC(NC(=O)C1CCCC2CCC[N@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846047	1	53	0.0	-50.89	397.44	10.71	-40.18
CC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846049	0	52	0.0	-72.60	411.48	9.17	-63.43
CC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846060	0	58	0.0	-62.12	437.32	11.29	-50.83
CC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846060	1	58	0.0	-58.16	435.04	11.06	-47.10
CC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846065	1	56	0.0	-51.68	421.37	12.54	-39.14
CC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846065	1	56	0.0	-47.33	414.04	12.20	-35.13
CCCC(C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+](C)C	REAL300002846084	0	51	0.0	-53.04	376.71	9.79	-43.25
CC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846085	0	59	0.0	-64.31	452.55	12.88	-51.43
CC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846085	1	59	0.0	-69.25	456.01	13.03	-56.22
CC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846100	0	52	0.0	-68.82	405.10	9.18	-59.64
CC(NC(=O)C1=CC=NN1CC[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846101	0	52	0.0	-63.09	412.81	9.34	-53.75
CC(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846105	0	49	0.0	-54.40	357.18	8.64	-45.76
CC(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846105	1	49	0.0	-59.41	365.19	9.59	-49.82
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846107	1	53	0.0	-54.02	413.46	10.87	-43.15
CC[C@@H]1[C@@H](C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@@H+]1C	REAL300002846110	0	52	0.0	-58.43	382.63	9.32	-49.11
CC[C@@H]1[C@@H](C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])CC[N@H+]1C	REAL300002846110	1	52	0.0	-59.95	390.04	9.66	-50.29
C#CC[N@H+]1CCC[C@H]1C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846113	1	48	0.0	-54.85	378.58	9.62	-45.23
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846113	1	48	0.0	-49.48	379.53	9.96	-39.52
CC(NC(=O)C1C[N@H+](C)CC(C)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846119	1	50	0.0	-58.75	378.46	8.42	-50.33
CC(NC(=O)C1C[N@@H+](C)CC(C)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846119	1	50	0.0	-72.54	384.85	9.04	-63.50
CC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846126	1	55	0.0	-48.77	426.49	10.73	-38.04
CC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846126	1	55	0.0	-53.01	426.54	10.47	-42.54
CC(NC(=O)C[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846129	0	46	0.0	-52.91	351.46	8.68	-44.23
CC1=[NH+]C=CN1CC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846131	1	44	0.0	-46.52	348.07	9.29	-37.23
CC(C[NH+]1CCOCC1)C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846133	0	53	0.0	-62.93	404.45	8.60	-54.33
CC(NC(=O)C[NH+]1CCC(C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846151	0	52	0.0	-53.07	390.47	10.15	-42.92
CC[N@@H+]1CCOC(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002846162	1	50	0.0	-66.42	381.09	8.79	-57.63
CC[N@H+]1CCOC(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002846162	1	50	0.0	-54.53	374.20	8.74	-45.79
CC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846199	1	59	0.0	-66.25	440.66	11.53	-54.72
CC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846200	0	59	0.0	-55.51	428.59	12.03	-43.48
CC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846200	1	59	0.0	-57.60	432.77	11.51	-46.09
CC(NC(=O)CCC1CCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846206	0	52	0.0	-64.44	394.94	9.88	-54.56
CC(NC(=O)CCC1CCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846206	1	52	0.0	-55.35	390.50	10.60	-44.75
CC(NC(=O)C12CCC[NH+](CCC1)C2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846219	0	53	0.0	-58.83	376.41	9.84	-48.99
CC(NC(=O)C1(C)CC(O)C[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846221	0	50	0.0	-65.12	380.25	6.22	-58.90
CC(NC(=O)C1(C)CC(O)C[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846221	1	50	0.0	-43.01	366.59	6.00	-37.01
CC(NC(=O)C1CCC2CCCC[N@@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846222	0	53	0.0	-47.77	393.82	10.60	-37.17
CC(NC(=O)C1CCC2CCCC[N@H+]21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846222	1	53	0.0	-47.75	394.97	10.60	-37.15
CC(NC(=O)C(C)(C)C[NH+]1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846229	0	56	0.0	-50.10	399.81	8.73	-41.37
CC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846234	0	59	0.0	-65.55	451.18	10.49	-55.06
CC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846234	1	59	0.0	-65.79	434.32	9.79	-56.00
CC[NH+](CC)CC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846246	0	48	0.0	-53.76	368.39	9.20	-44.56
CC(C)[NH+]1CCC(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002846248	0	55	0.0	-63.18	411.91	10.71	-52.47
CC(NC(=O)C12CC[NH+](CC1)C2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846329	0	47	0.0	-59.21	354.77	8.62	-50.59
CCC(C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+](C)C	REAL300002846332	0	48	0.0	-52.11	355.21	9.02	-43.09
CC(NC(=O)C12CC[N@H+](C1)CCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846340	0	50	0.0	-56.21	360.23	8.88	-47.33
CC(NC(=O)C12CC[N@@H+](C1)CCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846340	1	50	0.0	-60.71	368.44	9.12	-51.59
CC(NC(=O)C[NH+]1C(C)CCC1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846386	0	52	0.0	-44.12	376.05	9.52	-34.60
CC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846387	0	52	0.0	-75.56	411.20	11.36	-64.20
CC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846388	0	59	0.0	-60.11	447.91	13.28	-46.83
CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846388	1	59	0.0	-58.77	448.25	12.85	-45.92
CC(NC(=O)C1([NH+](C)C)CCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846426	0	49	0.0	-45.29	351.21	9.21	-36.08
C#CC[NH+]1CCC(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002846456	0	51	0.0	-68.12	402.29	10.67	-57.45
CCC[N@@H+]1CCCCC1C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846458	0	55	0.0	-46.10	390.87	10.45	-35.65
CCC[N@H+]1CCCCC1C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846458	1	55	0.0	-58.34	404.87	10.69	-47.65
CC(NC(=O)C1=CC=CC=C1C[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846459	0	52	0.0	-54.34	397.14	11.70	-42.64
CC[NH+]1CCN(CCC(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002846461	0	57	0.0	-70.79	430.46	8.36	-62.43
CCN1CC[NH+](CCC(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300002846461	1	57	0.0	-52.51	417.63	8.29	-44.22
CC(C)[N@H+](C)CC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846462	0	48	0.0	-46.79	357.53	9.30	-37.49
CC(C)[N@@H+](C)CC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846462	1	48	0.0	-47.84	357.53	9.31	-38.53
CC(C)C(C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300002846463	0	58	0.0	-43.36	404.59	11.60	-31.76
CC(NC(=O)C(C1=CC=CC=C1)[NH+](C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846464	1	52	0.0	-50.95	407.70	11.36	-39.59
CC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846468	0	57	0.0	-57.12	440.90	9.12	-48.00
CC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846468	1	57	0.0	-56.38	440.47	9.14	-47.24
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846473	1	53	0.0	-48.54	404.45	10.79	-37.75
CC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846475	0	55	0.0	-63.29	432.50	11.51	-51.78
CC(NC(=O)C1CCC[N@@H+]1C1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846481	0	56	0.0	-52.05	404.07	10.98	-41.07
CC(NC(=O)C1CCC[N@H+]1C1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846481	1	56	0.0	-55.40	418.92	11.25	-44.15
CC[N@H+](CC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300002846483	0	49	0.0	-44.67	364.26	9.44	-35.23
CC[N@@H+](CC(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300002846483	1	49	0.0	-46.45	360.41	9.55	-36.90
CC(C)C(C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300002846510	1	62	0.0	-51.94	450.25	10.77	-41.17
CC(NC(=O)C(C)[NH+]1CCCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846511	0	55	0.0	-44.85	390.11	10.41	-34.44
CC(NC(=O)[C@@H]1CCC[N@@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846515	0	46	0.0	-45.03	338.69	8.21	-36.82
CC(NC(=O)[C@@H]1CCC[N@H+]1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846515	1	46	0.0	-47.47	344.98	8.66	-38.81
CC(NC(=O)C[NH2+]C(C)(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846600	0	48	0.0	-55.47	372.10	7.58	-47.89
CC[NH+](CC)CC1=CC=C(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300002846602	0	55	0.0	-58.61	420.28	10.84	-47.77
CC(NC(=O)CCCC[NH+]1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846603	0	55	0.0	-62.01	414.44	11.41	-50.60
CC1=CC=C(N2CCC(C(=O)NC(C)C(CC3=CC=CC=C3)C(=O)[O-])CC2)[NH+]=C1	REAL300002846605	1	58	0.0	-60.33	437.14	11.17	-49.16
CC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846606	1	52	0.0	-56.03	404.17	11.24	-44.79
CC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846606	1	52	0.0	-51.24	399.77	11.70	-39.54
CC(C)[C@@H](C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-])[NH+](C)C	REAL300002846617	0	51	0.0	-47.10	370.64	9.51	-37.59
CC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846635	1	47	0.0	-71.27	386.47	9.11	-62.16
CC(NC(=O)C1=NOC(C[NH+](C)C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846663	1	48	0.0	-74.85	386.29	8.70	-66.15
CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846667	0	59	0.0	-55.63	440.27	12.69	-42.94
CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846667	1	59	0.0	-58.62	445.16	12.71	-45.91
CC(C)[N@@H+]1CCCC1C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846681	0	52	0.0	-44.25	377.59	9.80	-34.45
CC(C)[N@H+]1CCCC1C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846681	1	52	0.0	-47.33	382.03	10.21	-37.12
CC(NC(=O)COC1CC[NH+](C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846704	0	53	0.0	-73.73	413.10	9.96	-63.77
CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846708	0	56	0.0	-60.74	426.57	11.34	-49.40
CCC[N@@H+]1CCCC(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002846896	0	55	0.0	-53.73	404.66	10.89	-42.84
CCC[N@H+]1CCCC(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002846896	1	55	0.0	-55.20	410.53	11.11	-44.09
CC(C)C[N@@H+]1CCCC1C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846927	0	55	0.0	-49.82	412.05	10.83	-38.99
CC(C)C[N@H+]1CCCC1C(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846927	1	55	0.0	-47.29	399.47	10.28	-37.01
CC(NC(=O)C[NH+]1CCC(CO)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002846928	0	53	0.0	-54.14	401.30	6.84	-47.30
CC(C)[N@@H+]1CCCC(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002847154	0	55	0.0	-53.87	402.00	10.88	-42.99
CC(C)[N@H+]1CCCC(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002847154	1	55	0.0	-51.66	397.93	10.43	-41.23
CC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002847155	0	49	0.0	-76.58	382.59	9.90	-66.68
CC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002847155	1	49	0.0	-66.05	386.83	9.48	-56.57
CC1=C(C)[NH+]=C(CCC(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])N1	REAL300002847181	1	50	0.0	-53.97	397.75	8.94	-45.03
CC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002847672	0	55	0.0	-72.21	427.82	11.99	-60.22
CC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002847679	0	56	0.0	-64.75	426.95	10.94	-53.81
CC(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002847816	0	49	0.0	-57.76	376.02	9.71	-48.05
CC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002847820	0	55	0.0	-60.25	399.47	10.34	-49.91
CC1=[NH+]C=C2C=CC(C(=O)NC(C)C(CC3=CC=CC=C3)C(=O)[O-])=CN21	REAL300002847824	0	47	0.0	-57.83	378.76	10.95	-46.88
CC(C)C[N@@H+]1CCCC(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002847886	0	58	0.0	-61.14	434.31	11.58	-49.56
CC(C)C[N@H+]1CCCC(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002847886	1	58	0.0	-58.67	428.93	11.37	-47.30
CC[N@@H+]1CCCC(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002847887	0	52	0.0	-49.67	376.37	10.13	-39.54
CC[N@H+]1CCCC(C(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002847887	1	52	0.0	-63.69	395.25	10.15	-53.54
CC(NC(=O)C1CCC[N@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002847892	0	49	0.0	-59.10	367.69	9.71	-49.39
CC(NC(=O)C1CCC[N@@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002847892	1	49	0.0	-54.57	365.51	9.50	-45.07
CC(NC(=O)C1=CC=C(C[NH+](C)C)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002847894	1	49	0.0	-65.27	391.75	9.47	-55.80
CC(NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002847900	0	58	0.0	-73.31	415.36	10.56	-62.75
CC(NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002847900	1	58	0.0	-66.70	416.29	11.09	-55.61
CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300002847903	1	51	0.0	-47.84	382.37	10.73	-37.11
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002848909	0	56	0.0	-56.99	414.36	13.38	-43.61
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[NH+](C2CC2)CC1	REAL300002850192	0	50	0.0	-53.99	363.27	10.90	-43.09
CC1=[NH+]C=C2CCC(C(=O)N(CC3=CC=CC=C3)C(C)C(=O)[O-])CN12	REAL300002850218	1	48	0.0	-51.59	365.60	10.74	-40.85
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C(C)N1CC[NH+](C)CC1	REAL300002850285	1	51	0.0	-71.25	370.04	8.63	-62.62
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[C@@H]1CCCC[N@@H+]1C	REAL300002850319	0	46	0.0	-54.37	328.26	9.96	-44.41
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[C@@H]1CCCC[N@H+]1C	REAL300002850319	1	46	0.0	-37.80	340.50	9.90	-27.90
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002850359	0	59	0.0	-67.96	452.78	13.07	-54.89
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[NH+](C)CC1	REAL300002850392	0	46	0.0	-53.82	337.93	9.82	-44.00
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300002850417	0	41	0.0	-63.26	333.57	11.61	-51.65
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300002850446	0	55	0.0	-26.00	363.56	11.25	-14.75
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC[N@H+](C)C1CCCCC1	REAL300002850450	0	55	0.0	-54.08	397.15	11.95	-42.13
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300002850450	1	55	0.0	-53.19	397.15	11.95	-41.24
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[NH+](C)CC1	REAL300002850507	0	46	0.0	-53.82	337.93	9.82	-44.00
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300002850510	0	49	0.0	-73.92	388.41	10.65	-63.27
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300002850525	0	57	0.0	-51.83	400.08	10.79	-41.04
CC1=[NH+]C=CN1CCCC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002850554	1	47	0.0	-54.74	369.06	11.12	-43.62
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCCC[NH+]1CCOCC1	REAL300002850555	1	53	0.0	-63.37	396.98	9.92	-53.45
CC[N@H+](CC1=CC=C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C=C1)C(C)C	REAL300002850557	0	58	0.0	-67.44	422.78	12.90	-54.54
CC[N@@H+](CC1=CC=C(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C=C1)C(C)C	REAL300002850557	1	58	0.0	-65.28	415.90	12.51	-52.77
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002850594	0	53	0.0	-35.31	402.98	12.72	-22.59
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002850594	1	53	0.0	-54.52	398.53	12.55	-41.97
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300002850595	0	54	0.0	-80.87	394.88	12.58	-68.29
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300002850623	0	57	0.0	-54.53	395.32	10.19	-44.34
CCC(C(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-])[NH+](CC)CC	REAL300002850627	0	51	0.0	-61.63	361.20	10.99	-50.64
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300002850629	0	52	0.0	-46.61	389.33	12.11	-34.50
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300002850629	1	52	0.0	-42.84	389.27	12.23	-30.61
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300002850638	0	59	0.0	-65.31	436.36	15.17	-50.14
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300002850638	1	59	0.0	-52.13	430.52	14.19	-37.94
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300002850651	0	48	0.0	-60.36	365.99	9.10	-51.26
CCC[NH+](CCC)CCCC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002850657	0	57	0.0	-75.57	421.02	13.11	-62.46
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@H+](C)CCO1	REAL300002850659	1	44	0.0	-79.01	329.86	8.66	-70.35
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@@H+](C)CCO1	REAL300002850659	1	44	0.0	-56.10	323.18	8.29	-47.81
CC(C)C1=[NH+]C=CN1CC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002850667	1	47	0.0	-47.17	364.76	11.05	-36.12
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300002850682	0	53	0.0	-55.01	391.28	12.15	-42.86
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300002850688	0	56	0.0	-49.44	415.76	13.20	-36.24
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1(C[NH+](C)C)CC1	REAL300002850694	0	46	0.0	-46.32	334.88	9.72	-36.60
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCCC[NH+](C)C	REAL300002850703	0	48	0.0	-78.59	368.83	11.38	-67.21
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002850713	1	57	0.0	-63.11	426.22	12.77	-50.34
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002850713	1	57	0.0	-65.69	432.92	12.80	-52.89
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300002850728	0	56	0.0	-71.35	419.90	13.32	-58.03
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300002850740	1	49	0.0	-74.61	380.79	10.80	-63.81
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300002850741	0	52	0.0	-74.03	396.45	12.06	-61.97
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300002850748	1	54	0.0	-46.72	408.25	11.94	-34.78
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300002850748	1	54	0.0	-55.39	399.58	11.77	-43.62
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[N@H+](C)C1CCC1	REAL300002850768	0	46	0.0	-45.96	344.17	10.13	-35.83
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[N@@H+](C)C1CCC1	REAL300002850768	1	46	0.0	-46.69	345.33	10.30	-36.39
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C(C)[NH+]1CCSCC1	REAL300002850791	1	47	0.0	-55.82	355.14	10.76	-45.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[N@H+](C)CC(C)(C)C	REAL300002850797	0	51	0.0	-46.54	369.25	10.87	-35.67
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[N@@H+](C)CC(C)(C)C	REAL300002850797	1	51	0.0	-46.92	368.18	10.73	-36.19
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300002850799	0	52	0.0	-51.15	398.24	12.77	-38.38
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300002850799	1	52	0.0	-51.08	397.83	12.71	-38.37
COCCOCC[N@H+](C)CCC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002850800	0	56	0.0	-55.73	426.82	8.95	-46.78
COCCOCC[N@@H+](C)CCC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002850800	1	56	0.0	-57.34	427.06	9.00	-48.34
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300002850804	0	50	0.0	-57.08	369.15	8.67	-48.41
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300002850804	1	50	0.0	-51.58	359.37	8.36	-43.22
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300002850830	1	41	0.0	-59.88	327.02	11.27	-48.61
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[N@H+](C)C1CCSC1	REAL300002850844	0	47	0.0	-62.31	363.24	11.22	-51.09
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[N@@H+](C)C1CCSC1	REAL300002850844	1	47	0.0	-49.98	357.97	10.51	-39.47
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CC(C)N1CC[NH+](CCC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300002850859	1	57	0.0	-53.70	410.38	9.30	-44.40
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CC(C)N1CC[NH+](CCCC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC1	REAL300002850860	1	60	0.0	-75.62	437.11	11.07	-64.55
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCCC2CCC[N@@H+]21	REAL300002850861	0	50	0.0	-67.04	359.94	11.51	-55.53
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCCC2CCC[N@H+]21	REAL300002850861	1	50	0.0	-41.04	359.77	10.77	-30.27
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300002850863	0	49	0.0	-64.87	375.34	9.29	-55.58
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300002850867	0	58	0.0	-56.39	430.89	11.56	-44.83
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300002850869	0	55	0.0	-58.28	404.33	11.67	-46.61
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300002850869	1	55	0.0	-66.58	409.60	12.47	-54.11
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002850874	1	53	0.0	-33.96	394.65	12.55	-21.41
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300002850874	1	53	0.0	-61.10	394.23	13.36	-47.74
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300002850893	0	56	0.0	-75.94	428.17	14.37	-61.57
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300002850893	1	56	0.0	-59.86	422.50	13.40	-46.46
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300002850906	0	49	0.0	-65.36	382.65	10.36	-55.00
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300002850907	0	49	0.0	-54.07	369.65	9.33	-44.74
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300002850909	0	46	0.0	-64.04	331.42	10.24	-53.80
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300002850909	1	46	0.0	-66.12	335.02	10.07	-56.05
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CC[C@@H]1[C@@H](C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC[N@@H+]1C	REAL300002850913	0	49	0.0	-55.23	351.63	9.82	-45.41
CC[C@@H]1[C@@H](C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])CC[N@H+]1C	REAL300002850913	1	49	0.0	-69.51	360.47	11.15	-58.36
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300002850916	1	50	0.0	-67.11	379.22	9.36	-57.75
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300002850916	1	50	0.0	-62.40	374.15	9.22	-53.18
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@H+](C)CC(C)O1	REAL300002850923	1	47	0.0	-62.52	353.20	9.25	-53.27
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@@H+](C)CC(C)O1	REAL300002850923	1	47	0.0	-49.29	351.67	9.23	-40.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300002850927	0	56	0.0	-73.65	427.48	14.25	-59.40
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300002850927	1	56	0.0	-57.12	422.20	13.19	-43.93
CC1=[NH+]C=CN1CC(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002850931	1	41	0.0	-58.99	332.45	10.69	-48.30
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300002850934	0	57	0.0	-56.18	429.24	11.09	-45.09
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[NH+]1CCC(C)CC1	REAL300002850946	0	49	0.0	-47.79	362.23	10.78	-37.01
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300002850991	0	56	0.0	-49.53	399.47	11.91	-37.62
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CCC1CCC[N@@H+]1C	REAL300002850998	0	49	0.0	-59.35	360.64	10.32	-49.03
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CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC2CCCC[N@@H+]21	REAL300002851008	0	50	0.0	-59.56	362.85	11.46	-48.10
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CC(C)[N@@H+]1CCCC1C(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002851394	0	49	0.0	-45.99	340.36	9.93	-36.06
CC(C)[N@H+]1CCCC1C(=O)N(CC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300002851394	1	49	0.0	-41.03	345.72	10.35	-30.68
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300002851402	0	57	0.0	-67.81	445.84	12.85	-54.96
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)COC1CC[NH+](C)CC1	REAL300002851415	0	50	0.0	-83.37	382.76	10.99	-72.38
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300002851420	0	53	0.0	-55.22	404.28	12.30	-42.92
CCC[N@@H+]1CCCC(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300002851574	0	52	0.0	-50.71	371.51	11.27	-39.44
CCC[N@H+]1CCCC(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300002851574	1	52	0.0	-57.01	377.55	10.95	-46.06
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C[NH+]1CCC(CO)CC1	REAL300002851601	0	50	0.0	-49.47	373.06	7.47	-42.00
CC(C)[N@@H+]1CCCC(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300002851789	0	52	0.0	-52.55	373.52	10.73	-41.82
CC(C)[N@H+]1CCCC(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300002851789	1	52	0.0	-50.96	375.88	10.99	-39.97
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300002851790	0	46	0.0	-76.44	351.53	10.35	-66.09
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300002851790	1	46	0.0	-68.37	346.24	10.10	-58.27
CC1=C(C)[NH+]=C(CCC(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])N1	REAL300002851813	1	47	0.0	-50.25	370.12	9.69	-40.56
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300002852217	0	52	0.0	-60.06	394.74	12.22	-47.84
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300002852225	0	53	0.0	-68.13	401.61	10.82	-57.31
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300002852315	0	59	0.0	-59.72	439.03	14.25	-45.47
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300002852317	1	57	0.0	-66.41	421.17	11.39	-55.02
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300002852317	1	57	0.0	-73.24	426.06	11.68	-61.56
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300002852345	0	46	0.0	-62.13	348.08	10.05	-52.08
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300002852349	0	52	0.0	-52.29	366.78	10.75	-41.54
CC1=[NH+]C=C2C=CC(C(=O)N(CC3=CC=CC=C3)C(C)C(=O)[O-])=CN21	REAL300002852353	0	44	0.0	-34.59	347.19	11.09	-23.50
CC(C)C[N@@H+]1CCCC(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300002852404	0	55	0.0	-54.69	396.54	11.70	-42.99
CC(C)C[N@H+]1CCCC(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300002852404	1	55	0.0	-54.14	397.44	11.83	-42.31
CC[N@@H+]1CCCC(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300002852405	0	49	0.0	-61.72	355.87	11.41	-50.31
CC[N@H+]1CCCC(C(=O)N(CC2=CC=CC=C2)C(C)C(=O)[O-])C1	REAL300002852405	1	49	0.0	-57.35	360.63	10.40	-46.95
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC[N@H+](C)C1	REAL300002852409	0	46	0.0	-59.40	326.36	10.48	-48.92
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1CCC[N@@H+](C)C1	REAL300002852409	1	46	0.0	-60.67	339.91	9.69	-50.98
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300002852411	1	46	0.0	-58.25	362.82	10.44	-47.81
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300002852419	0	48	0.0	-47.87	353.33	10.59	-37.28
CC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300002852419	1	48	0.0	-43.28	350.71	10.49	-32.79
C[NH+](C)CC(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300002852560	0	40	0.0	-57.31	345.28	7.58	-49.73
C[N@@H+]1CCCC1C(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300002852576	0	44	0.0	-54.40	370.26	8.64	-45.76
C[N@H+]1CCCC1C(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300002852576	1	44	0.0	-66.09	376.36	8.52	-57.57
C[C@@H](C(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-])[NH+](C)C	REAL300002852591	0	43	0.0	-57.71	363.35	7.99	-49.72
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300002852592	0	44	0.0	-53.03	365.30	8.14	-44.89
C[N@H+]1CCC[C@@H]1C(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300002852592	1	44	0.0	-67.75	374.90	8.58	-59.17
C[C@H](C(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-])[NH+](C)C	REAL300002852595	0	43	0.0	-54.90	363.39	8.01	-46.89
CCC[N@H+](C)CC(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300002852610	0	46	0.0	-67.22	389.11	8.93	-58.29
CCC[N@@H+](C)CC(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300002852610	1	46	0.0	-67.04	389.11	8.94	-58.10
CC[C@@H](C(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-])[NH+](C)C	REAL300002852614	0	46	0.0	-54.14	374.57	8.65	-45.49
O=C([O-])C(CC1=CNC2=CC=C(Br)C=C12)NC(=O)C[NH+]1CCCC1	REAL300002852624	0	44	0.0	-54.78	370.67	8.73	-46.05
CC[NH+](CC)CC(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300002852632	0	46	0.0	-54.04	376.63	8.71	-45.33
CCC(C(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-])[NH+](C)C	REAL300002852634	0	46	0.0	-51.71	375.46	8.62	-43.09
CC(C)[N@H+](C)CC(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300002852641	0	46	0.0	-65.22	384.29	8.73	-56.49
CC(C)[N@@H+](C)CC(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300002852641	1	46	0.0	-64.38	384.30	8.72	-55.66
C[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300002852644	0	44	0.0	-55.68	371.23	8.63	-47.05
C[N@H+]1CCC[C@H]1C(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300002852644	1	44	0.0	-58.74	365.21	8.15	-50.59
CC(C)(C)[NH2+]CC(=O)NC(CC1=CNC2=CC=C(Br)C=C12)C(=O)[O-]	REAL300002852650	0	46	0.0	-54.06	384.23	7.29	-46.77
CCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002853695	0	56	0.0	-76.25	418.36	13.03	-63.22
CCC(NC(=O)C1CC[NH+](C2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002854978	0	50	0.0	-72.87	366.75	10.66	-62.21
CCC(NC(=O)C1CCC2=C[NH+]=C(C)N2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855004	1	48	0.0	-63.08	364.91	10.54	-52.54
CCC(NC(=O)C(C)N1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855071	1	51	0.0	-70.15	370.56	7.56	-62.59
CCC(NC(=O)[C@@H]1CCCC[N@@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300002855105	0	46	0.0	-55.74	325.79	8.88	-46.86
CCC(NC(=O)[C@@H]1CCCC[N@H+]1C)(C(=O)[O-])C1=CC=CC=C1	REAL300002855105	1	46	0.0	-59.71	339.22	9.36	-50.35
CCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855145	0	59	0.0	-81.62	451.33	12.54	-69.08
CCC(NC(=O)C1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855178	0	46	0.0	-76.46	341.99	9.51	-66.95
CCC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855203	0	41	0.0	-71.53	327.53	11.37	-60.16
CCC(NC(=O)C1(C[NH+](C)C)CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855232	0	55	0.0	-57.63	371.44	10.72	-46.91
CCC(NC(=O)CC[N@H+](C)C1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855236	0	55	0.0	-67.06	395.78	11.45	-55.61
CCC(NC(=O)CC[N@@H+](C)C1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855236	1	55	0.0	-66.41	395.78	11.45	-54.96
CCC(NC(=O)C1CC[NH+](C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855293	0	46	0.0	-76.46	341.99	9.51	-66.95
CCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855296	0	49	0.0	-82.26	386.45	10.44	-71.82
CCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855311	0	57	0.0	-69.49	397.36	9.74	-59.75
CCC(NC(=O)CCCN1C=C[NH+]=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300002855340	1	47	0.0	-67.15	368.24	10.70	-56.45
CCC(NC(=O)CCCC[NH+]1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855341	1	53	0.0	-75.47	395.67	9.44	-66.03
CC[N@H+](CC1=CC=C(C(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300002855343	0	58	0.0	-82.63	424.09	12.98	-69.65
CC[N@@H+](CC1=CC=C(C(=O)NC(CC)(C(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300002855343	1	58	0.0	-82.54	414.90	12.55	-69.99
CCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855380	0	53	0.0	-67.68	400.88	12.18	-55.50
CCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855380	1	53	0.0	-66.56	400.45	12.17	-54.39
CCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855381	0	54	0.0	-78.77	397.19	11.49	-67.28
CCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855409	0	57	0.0	-67.83	392.87	9.49	-58.34
CCC(C(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1)[NH+](CC)CC	REAL300002855413	0	51	0.0	-51.72	363.36	9.92	-41.80
CCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855415	0	52	0.0	-58.32	391.46	11.73	-46.59
CCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855415	1	52	0.0	-62.13	392.36	11.80	-50.33
CCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855424	0	59	0.0	-71.45	440.95	13.85	-57.60
CCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855424	1	59	0.0	-60.66	430.17	13.89	-46.77
CCC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855437	0	48	0.0	-80.89	371.31	9.50	-71.39
CCC[NH+](CCC)CCCC(=O)NC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300002855443	0	57	0.0	-69.27	419.97	12.08	-57.19
CCC(NC(=O)C1C[N@H+](C)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855445	1	44	0.0	-81.22	334.77	7.94	-73.28
CCC(NC(=O)C1C[N@@H+](C)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855445	1	44	0.0	-81.15	334.65	7.89	-73.26
CCC(NC(=O)CN1C=C[NH+]=C1C(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300002855453	1	47	0.0	-55.76	360.14	10.41	-45.35
CCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855468	0	53	0.0	-85.89	400.36	12.52	-73.37
CCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855474	0	56	0.0	-75.15	417.07	13.21	-61.94
CCC(NC(=O)C1(C[NH+](C)C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855480	0	46	0.0	-72.07	344.72	9.62	-62.45
CCC(NC(=O)CCCC[NH+](C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300002855489	0	48	0.0	-74.94	362.77	9.98	-64.96
CCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855499	1	57	0.0	-79.21	424.82	12.01	-67.20
CCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855499	1	57	0.0	-76.43	431.62	12.06	-64.37
CCC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855511	1	47	0.0	-81.11	373.04	9.64	-71.47
CCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855514	0	56	0.0	-85.99	417.10	13.23	-72.76
CCC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855526	1	49	0.0	-79.46	380.77	9.99	-69.47
CCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855527	0	52	0.0	-90.05	398.03	12.22	-77.83
CCC(NC(=O)C1=CC=C(C)[NH+]=C1NC)(C(=O)[O-])C1=CC=CC=C1	REAL300002855533	1	45	0.0	-59.04	346.67	8.84	-50.20
CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855534	1	54	0.0	-73.10	402.29	11.26	-61.84
CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855534	1	54	0.0	-72.90	401.18	11.35	-61.55
CCC(NC(=O)C[N@H+](C)C1CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855554	0	46	0.0	-56.14	343.53	9.75	-46.39
CCC(NC(=O)C[N@@H+](C)C1CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855554	1	46	0.0	-56.81	343.62	9.75	-47.06
CCC(NC(=O)C[N@H+](C)CC(C)(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300002855583	0	51	0.0	-57.73	367.18	10.33	-47.40
CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300002855583	1	51	0.0	-58.09	365.13	10.14	-47.95
CCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855585	0	52	0.0	-60.89	396.55	12.20	-48.69
CCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002855585	1	52	0.0	-60.91	396.43	12.16	-48.75
CCC(NC(=O)CC[N@H+](C)CCOCCOC)(C(=O)[O-])C1=CC=CC=C1	REAL300002855586	0	56	0.0	-66.95	425.45	8.42	-58.53
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CCC(NC(=O)C1CCC[N@@H+](C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300002857195	1	46	0.0	-52.60	332.80	9.46	-43.14
CCC(NC(=O)C1=CC=C(C[NH+](C)C)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300002857197	1	46	0.0	-83.08	361.94	9.70	-73.38
CCC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002857205	1	48	0.0	-67.55	356.29	10.27	-57.28
CCC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300002857205	1	48	0.0	-66.52	356.86	10.43	-56.09
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300002858859	0	54	0.0	-58.80	396.66	9.60	-49.20
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CCC3=C[NH+]=C(C)N3C2)=C1	REAL300002858882	1	52	0.0	-56.07	395.55	9.49	-46.58
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C(C)N2CC[NH+](C)CC2)=C1	REAL300002858941	1	55	0.0	-64.75	400.29	6.41	-58.34
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)[C@@H]2CCCC[N@@H+]2C)=C1	REAL300002858968	0	50	0.0	-51.14	359.64	8.00	-43.14
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)[C@@H]2CCCC[N@H+]2C)=C1	REAL300002858968	1	50	0.0	-47.31	368.95	8.18	-39.13
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CC[NH+](C)CC2)=C1	REAL300002859022	0	50	0.0	-67.01	371.59	8.23	-58.78
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CN3C=[NH+]C=C3C=C2)=C1	REAL300002859049	0	45	0.0	-63.94	357.38	10.24	-53.70
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2(C[NH+](C)C)CCCCC2)=C1	REAL300002859074	0	59	0.0	-75.61	404.32	10.11	-65.50
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CC[N@H+](C)C2CCCCC2)=C1	REAL300002859078	0	59	0.0	-59.23	425.40	10.16	-49.07
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CC[N@@H+](C)C2CCCCC2)=C1	REAL300002859078	1	59	0.0	-58.20	425.40	10.16	-48.04
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CCC[N@@H+]2C)=C1	REAL300002859091	0	47	0.0	-56.76	347.22	7.29	-49.47
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CCC[N@H+]2C)=C1	REAL300002859091	1	47	0.0	-50.76	352.65	7.53	-43.23
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CC[NH+](C)CC2)=C1	REAL300002859138	0	50	0.0	-67.01	371.59	8.23	-58.78
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CCCN2C=C[NH+]=C2C)=C1	REAL300002859179	1	51	0.0	-60.73	397.96	9.49	-51.24
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CCCC[NH+]2CCOCC2)=C1	REAL300002859180	1	57	0.0	-67.00	425.27	8.17	-58.83
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)[C@H](C)[NH+](C)C)=C1	REAL300002859184	0	46	0.0	-50.38	345.13	6.98	-43.40
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)[C@H]2CCC[N@@H+]2C)=C1	REAL300002859185	0	47	0.0	-54.63	353.34	7.63	-47.00
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)[C@H]2CCC[N@H+]2C)=C1	REAL300002859185	1	47	0.0	-46.68	346.09	7.27	-39.41
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)[C@@H](C)[NH+](C)C)=C1	REAL300002859188	0	46	0.0	-49.40	345.40	7.14	-42.26
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300002859219	0	57	0.0	-58.33	430.48	11.13	-47.20
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300002859219	1	57	0.0	-60.30	431.99	11.08	-49.22
CCC(C(=O)NC(C)(CC(=O)[O-])C1=CC=CC(OC)=C1)[NH+](CC)CC	REAL300002859244	0	55	0.0	-50.07	389.83	8.77	-41.30
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=C1	REAL300002859246	0	56	0.0	-55.74	422.17	10.57	-45.17
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300002859246	1	56	0.0	-50.10	421.92	10.59	-39.51
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC=C(C[NH+](C)C)N=C2)=C1	REAL300002859262	0	52	0.0	-71.86	400.96	8.19	-63.67
CCC[NH+](CCC)CCCC(=O)NC(C)(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300002859265	0	61	0.0	-61.13	449.81	10.95	-50.18
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CN2C=C[NH+]=C2C(C)C)=C1	REAL300002859274	1	51	0.0	-51.37	392.67	9.31	-42.06
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=C1	REAL300002859285	0	57	0.0	-74.52	429.97	11.21	-63.31
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2(C[NH+](C)C)CC2)=C1	REAL300002859291	0	50	0.0	-57.10	373.66	8.04	-49.06
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CCCC[NH+](C)C)=C1	REAL300002859296	0	52	0.0	-66.38	392.37	8.72	-57.66
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)=C1	REAL300002859313	1	51	0.0	-75.51	402.78	8.47	-67.04
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=C1	REAL300002859322	1	53	0.0	-72.22	410.63	8.83	-63.39
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=C1	REAL300002859323	0	56	0.0	-79.06	427.66	10.91	-68.15
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C)(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300002859328	1	49	0.0	-51.90	376.31	7.65	-44.25
CCC[N@H+](C)CC(=O)NC(C)(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300002859333	0	49	0.0	-52.98	366.25	7.99	-44.99
CCC[N@@H+](C)CC(=O)NC(C)(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300002859333	1	49	0.0	-52.93	366.26	7.99	-44.94
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[N@H+](C)C2CCC2)=C1	REAL300002859346	0	50	0.0	-50.52	373.15	8.56	-41.96
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[N@@H+](C)C2CCC2)=C1	REAL300002859346	1	50	0.0	-51.60	373.25	8.56	-43.04
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C(C)[NH+]2CCSCC2)=C1	REAL300002859365	1	51	0.0	-51.33	382.36	8.41	-42.92
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[N@H+](C)CC(C)(C)C)=C1	REAL300002859367	0	55	0.0	-51.33	397.17	9.15	-42.18
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[N@@H+](C)CC(C)(C)C)=C1	REAL300002859367	1	55	0.0	-52.54	396.66	9.07	-43.47
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[N@H+](C)CCC2=CC=CC=C2)=C1	REAL300002859369	0	56	0.0	-55.85	426.16	11.02	-44.83
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=C1	REAL300002859369	1	56	0.0	-56.12	426.16	11.01	-45.11
COCCOCC[N@H+](C)CCC(=O)NC(C)(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300002859370	0	60	0.0	-59.33	455.39	7.37	-51.96
COCCOCC[N@@H+](C)CCC(=O)NC(C)(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300002859370	1	60	0.0	-62.04	455.17	7.20	-54.84
CC[C@@H](C(=O)NC(C)(CC(=O)[O-])C1=CC=CC(OC)=C1)[NH+](C)C	REAL300002859372	0	49	0.0	-54.26	357.87	7.76	-46.50
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CC2(O)CCC[N@H+](C)C2)=C1	REAL300002859374	0	54	0.0	-59.37	397.34	6.78	-52.59
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CC2(O)CCC[N@@H+](C)C2)=C1	REAL300002859374	1	54	0.0	-59.98	394.68	7.04	-52.94
CCCCCC[N@H+](C)CC(=O)NC(C)(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300002859386	0	58	0.0	-53.84	430.75	10.33	-43.51
CCCCCC[N@@H+](C)CC(=O)NC(C)(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300002859386	1	58	0.0	-53.84	430.75	10.33	-43.51
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC3=C[NH+]=CN3C=C2)=C1	REAL300002859401	1	45	0.0	-68.87	357.65	10.26	-58.61
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[N@H+](C)C2CCSC2)=C1	REAL300002859409	0	51	0.0	-57.17	386.58	8.97	-48.20
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[N@@H+](C)C2CCSC2)=C1	REAL300002859409	1	51	0.0	-57.62	386.23	8.82	-48.80
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CCN2CC[NH+](C(C)C)CC2)=C1	REAL300002859424	0	61	0.0	-62.34	442.58	7.92	-54.42
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CC[NH+]2CCN(C(C)C)CC2)=C1	REAL300002859424	1	61	0.0	-57.78	439.19	7.58	-50.20
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CCCC3CCC[N@@H+]32)=C1	REAL300002859425	0	54	0.0	-46.84	391.58	9.58	-37.26
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CCCC3CCC[N@H+]32)=C1	REAL300002859425	1	54	0.0	-47.54	391.71	9.41	-38.13
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CN(CC[NH+](C)C)N=C2)=C1	REAL300002859427	0	53	0.0	-73.55	411.53	8.25	-65.30
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)=C1	REAL300002859436	1	57	0.0	-50.62	422.48	11.09	-39.53
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)=C1	REAL300002859436	1	57	0.0	-52.07	422.33	11.31	-40.76
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=NN(CC[NH+](C)C)C=C2)=C1	REAL300002859461	0	53	0.0	-77.62	411.91	8.25	-69.37
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC=NN2CC[NH+](C)C)=C1	REAL300002859462	0	53	0.0	-60.99	406.62	8.04	-52.95
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)=C1	REAL300002859464	0	50	0.0	-58.78	360.44	7.50	-51.28
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)=C1	REAL300002859464	1	50	0.0	-55.43	364.21	7.83	-47.60
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300002859465	1	54	0.0	-53.87	413.21	9.95	-43.92
CC[C@@H]1[C@@H](C(=O)NC(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)CC[N@@H+]1C	REAL300002859468	0	53	0.0	-58.88	384.01	8.25	-50.63
CC[C@@H]1[C@@H](C(=O)NC(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)CC[N@H+]1C	REAL300002859468	1	53	0.0	-60.60	388.28	8.96	-51.64
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2C[N@H+](C)CC(C)O2)=C1	REAL300002859475	1	51	0.0	-70.70	378.54	7.35	-63.35
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2C[N@@H+](C)CC(C)O2)=C1	REAL300002859475	1	51	0.0	-71.09	378.28	7.19	-63.90
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[NH+]2CCCC2)=C1	REAL300002859481	0	47	0.0	-52.87	352.51	7.71	-45.16
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CN2C=C[NH+]=C2C)=C1	REAL300002859483	1	45	0.0	-50.30	356.68	8.36	-41.94
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C(C)C[NH+]2CCOCC2)=C1	REAL300002859485	1	54	0.0	-58.52	398.56	7.46	-51.06
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[NH+]2CCC(C)CC2)=C1	REAL300002859504	0	53	0.0	-52.56	389.94	9.07	-43.49
CC[N@@H+]1CCOC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300002859515	1	51	0.0	-41.97	375.03	7.37	-34.60
CC[N@H+]1CCOC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300002859515	1	51	0.0	-58.59	382.16	7.53	-51.06
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=C1	REAL300002859544	0	60	0.0	-53.69	432.72	10.68	-43.01
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CC[N@H+](C3CCCCC3)C2)=C1	REAL300002859544	1	60	0.0	-59.29	432.22	10.44	-48.85
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CCC2CCC[N@@H+]2C)=C1	REAL300002859549	0	53	0.0	-62.11	389.21	8.77	-53.34
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CCC2CCC[N@H+]2C)=C1	REAL300002859549	1	53	0.0	-58.64	390.55	8.92	-49.72
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CCC3CCCC[N@@H+]32)=C1	REAL300002859560	0	54	0.0	-47.61	395.11	9.69	-37.92
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CCC3CCCC[N@H+]32)=C1	REAL300002859560	1	54	0.0	-49.83	394.79	9.63	-40.20
CC[NH+](CC)CC(=O)NC(C)(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300002859579	0	49	0.0	-51.57	358.82	7.82	-43.75
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CC[NH+](C(C)C)CC2)=C1	REAL300002859581	0	56	0.0	-58.76	402.49	9.34	-49.42
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C23CC[NH+](CC2)C3)=C1	REAL300002859646	0	48	0.0	-66.95	358.94	7.27	-59.68
CCC(C(=O)NC(C)(CC(=O)[O-])C1=CC=CC(OC)=C1)[NH+](C)C	REAL300002859649	0	49	0.0	-49.60	359.86	7.90	-41.70
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C23CC[N@H+](C2)CCC3)=C1	REAL300002859656	0	51	0.0	-66.88	368.22	7.86	-59.02
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C23CC[N@@H+](C2)CCC3)=C1	REAL300002859656	1	51	0.0	-61.64	368.79	7.81	-53.83
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[NH+]2C(C)CCC2C)=C1	REAL300002859691	0	53	0.0	-49.22	384.40	8.76	-40.46
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC=CC(C[NH+](C)C)=C2)=C1	REAL300002859692	0	53	0.0	-68.67	405.42	10.23	-58.44
C#CC[NH+]1CCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300002859734	0	52	0.0	-66.00	396.32	9.38	-56.62
CC[NH+]1CCN(CCC(=O)NC(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300002859736	0	58	0.0	-67.18	424.67	7.25	-59.93
CCN1CC[NH+](CCC(=O)NC(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300002859736	1	58	0.0	-57.88	425.87	7.40	-50.48
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[N@H+](C)C(C)C)=C1	REAL300002859737	0	49	0.0	-50.50	361.67	7.95	-42.55
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[N@@H+](C)C(C)C)=C1	REAL300002859737	1	49	0.0	-51.50	361.45	7.78	-43.72
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CCN2C=C[NH+]=C2C(C)C)=C1	REAL300002859741	1	54	0.0	-54.17	412.68	9.90	-44.27
CC[N@H+](CC(=O)NC(C)(CC(=O)[O-])C1=CC=CC(OC)=C1)C1CC1	REAL300002859747	0	50	0.0	-49.17	372.48	8.55	-40.62
CC[N@@H+](CC(=O)NC(C)(CC(=O)[O-])C1=CC=CC(OC)=C1)C1CC1	REAL300002859747	1	50	0.0	-51.01	373.34	8.56	-42.45
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C(C)[NH+]2CCCCCC2)=C1	REAL300002859768	0	56	0.0	-52.85	391.52	9.26	-43.59
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)[C@@H]2CCC[N@@H+]2C)=C1	REAL300002859771	0	47	0.0	-47.97	346.92	7.13	-40.84
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)[C@@H]2CCC[N@H+]2C)=C1	REAL300002859771	1	47	0.0	-52.66	352.96	7.69	-44.97
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[NH2+]C(C)(C)C)=C1	REAL300002859828	0	49	0.0	-51.84	365.96	6.30	-45.54
CC[NH+](CC)CC1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)O1	REAL300002859830	0	56	0.0	-66.12	427.08	9.92	-56.20
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CCCC[NH+]2CCCC2)=C1	REAL300002859831	0	56	0.0	-64.40	418.35	9.89	-54.51
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300002859833	1	53	0.0	-55.27	403.74	10.17	-45.10
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300002859833	1	53	0.0	-55.79	403.68	10.17	-45.62
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)=C1	REAL300002859857	1	48	0.0	-73.23	386.31	8.03	-65.20
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=NOC(C[NH+](C)C)=C2)=C1	REAL300002859874	1	49	0.0	-76.05	386.13	7.60	-68.45
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CCC[N@@H+]2C(C)C)=C1	REAL300002859886	0	53	0.0	-54.11	375.44	8.75	-45.36
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CCC[N@H+]2C(C)C)=C1	REAL300002859886	1	53	0.0	-51.31	386.17	8.86	-42.45
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)COC2CC[NH+](C)CC2)=C1	REAL300002859901	0	54	0.0	-69.89	407.21	8.69	-61.20
CCC[N@@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300002860025	0	56	0.0	-60.49	410.69	9.60	-50.89
CCC[N@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300002860025	1	56	0.0	-59.94	410.95	9.76	-50.18
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C[NH+]2CCC(CO)CC2)=C1	REAL300002860046	0	54	0.0	-53.37	400.77	5.76	-47.61
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CCC[N@@H+](C(C)C)C2)=C1	REAL300002860196	0	56	0.0	-49.03	398.72	9.70	-39.33
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CCC[N@H+](C(C)C)C2)=C1	REAL300002860196	1	56	0.0	-52.92	399.92	9.73	-43.19
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2C[N@H+](C)CC2C(F)(F)F)=C1	REAL300002860197	0	50	0.0	-64.79	378.59	8.84	-55.95
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)=C1	REAL300002860197	1	50	0.0	-70.85	372.24	7.99	-62.86
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)CCC2=[NH+]C(C)=C(C)N2)=C1	REAL300002860218	1	51	0.0	-53.81	397.50	8.03	-45.78
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)=C1	REAL300002860555	0	56	0.0	-74.23	427.66	10.89	-63.34
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)=C1	REAL300002860666	0	50	0.0	-65.05	376.95	8.46	-56.59
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=C1	REAL300002860670	0	56	0.0	-46.44	397.35	9.36	-37.08
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CN3C(=C[NH+]=C3C)C=C2)=C1	REAL300002860673	0	48	0.0	-59.95	378.81	10.01	-49.94
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CCC[N@H+](CC(C)C)C2)=C1	REAL300002860718	0	59	0.0	-53.56	422.18	10.66	-42.90
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CCC[N@@H+](CC(C)C)C2)=C1	REAL300002860718	1	59	0.0	-49.55	418.29	10.58	-38.97
CC[N@@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300002860719	0	53	0.0	-60.18	389.25	8.86	-51.32
CC[N@H+]1CCCC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300002860719	1	53	0.0	-59.61	389.47	9.03	-50.58
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CCC[N@H+](C)C2)=C1	REAL300002860724	0	50	0.0	-62.20	371.83	8.35	-53.85
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2CCC[N@@H+](C)C2)=C1	REAL300002860724	1	50	0.0	-50.23	364.50	8.53	-41.70
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C2=CC=C(C[NH+](C)C)O2)=C1	REAL300002860726	1	50	0.0	-69.29	391.79	8.54	-60.75
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300002860734	0	52	0.0	-49.75	380.97	8.98	-40.77
COC1=CC=CC(C(C)(CC(=O)[O-])NC(=O)C23CC(C2)C[N@H+]3C2CC2)=C1	REAL300002860734	1	52	0.0	-49.34	380.75	9.66	-39.68
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300002861777	0	55	0.0	-94.68	413.18	9.39	-85.29
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300002862349	0	52	0.0	-78.91	389.06	8.40	-70.51
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300002862349	1	52	0.0	-47.02	382.80	8.53	-38.49
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300002863206	0	49	0.0	-82.96	365.89	7.27	-75.69
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300002863232	0	46	0.0	-48.06	339.00	6.63	-41.43
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300002863232	1	46	0.0	-49.28	333.25	6.19	-43.09
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C(=O)[O-])(S(C)=O)CC3)CN12	REAL300002863238	1	47	0.0	-52.45	354.96	7.04	-45.41
CS(=O)C1(C(=O)[O-])CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300002863239	0	55	0.0	-52.21	404.91	9.28	-42.93
C[N@@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863318	0	45	0.0	-83.31	322.15	5.43	-77.88
C[N@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863318	1	45	0.0	-89.28	325.34	5.52	-83.76
CC(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)N1CC[NH+](C)CC1	REAL300002863319	1	50	0.0	-61.45	357.98	4.08	-57.37
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863360	0	45	0.0	-83.33	333.08	5.88	-77.45
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863360	1	45	0.0	-52.14	315.80	5.52	-46.62
C[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC1	REAL300002863444	0	45	0.0	-86.21	336.59	5.86	-80.35
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300002863473	0	40	0.0	-61.28	321.08	7.77	-53.51
C[NH+](C)CC1(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CCCCC1	REAL300002863508	0	54	0.0	-77.27	367.68	6.98	-70.29
C[N@H+](CCC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)C1CCCCC1	REAL300002863513	0	54	0.0	-57.67	384.77	8.05	-49.62
C[N@@H+](CCC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)C1CCCCC1	REAL300002863513	1	54	0.0	-57.32	384.78	8.06	-49.26
C[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863529	0	42	0.0	-83.94	314.54	5.15	-78.79
C[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863529	1	42	0.0	-52.66	304.90	4.93	-47.73
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300002863534	1	52	0.0	-52.27	389.08	8.56	-43.71
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300002863534	1	52	0.0	-54.29	392.83	8.96	-45.33
C[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC1	REAL300002863585	0	45	0.0	-86.21	336.59	5.86	-80.35
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300002863589	0	48	0.0	-84.11	382.35	6.62	-77.49
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300002863609	0	55	0.0	-82.63	382.47	7.81	-74.82
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300002863609	1	55	0.0	-49.09	378.80	8.12	-40.97
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300002863610	0	56	0.0	-86.99	403.88	6.45	-80.54
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C=C1)C(C)C	REAL300002863649	0	57	0.0	-90.16	414.61	8.89	-81.27
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C=C1)C(C)C	REAL300002863649	1	57	0.0	-91.00	410.22	8.95	-82.05
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863652	0	42	0.0	-87.59	311.29	4.83	-82.76
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863652	1	42	0.0	-82.18	314.21	5.08	-77.10
C[NH+](C)C1(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC1	REAL300002863661	0	42	0.0	-55.84	308.61	5.17	-50.67
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300002863707	0	52	0.0	-89.84	392.26	8.55	-81.29
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300002863707	1	52	0.0	-91.50	397.02	8.74	-82.76
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300002863708	0	53	0.0	-96.82	396.20	8.10	-88.72
CS(=O)C1(C(=O)[O-])CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	REAL300002863732	0	56	0.0	-57.27	383.13	6.33	-50.94
CCC(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)[NH+](CC)CC	REAL300002863736	0	50	0.0	-51.52	347.22	6.78	-44.74
CC(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300002863738	0	51	0.0	-86.54	383.92	8.19	-78.35
CC(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300002863738	1	51	0.0	-82.88	385.12	8.22	-74.66
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C=N1	REAL300002863771	0	47	0.0	-64.30	360.60	5.66	-58.64
CCC[NH+](CCC)CCCC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863777	0	56	0.0	-59.64	404.44	8.37	-51.27
CC[N@H+](C)C(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)C1=CC=CC=C1	REAL300002863778	0	51	0.0	-83.78	381.64	8.19	-75.59
CC[N@@H+](C)C(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)C1=CC=CC=C1	REAL300002863778	1	51	0.0	-84.65	377.80	8.19	-76.46
CC[NH+](CC)C(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)C1=CC=CC=C1	REAL300002863782	0	54	0.0	-50.37	380.85	8.52	-41.85
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863791	1	46	0.0	-81.67	358.47	7.03	-74.64
C[NH+](C)C(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)C1=CC=C(Cl)C=C1	REAL300002863796	1	48	0.0	-50.92	371.20	8.15	-42.77
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300002863809	0	52	0.0	-93.02	395.21	8.58	-84.44
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300002863816	0	55	0.0	-63.72	405.22	9.42	-54.30
C[NH+](C)CC1(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC1	REAL300002863821	0	45	0.0	-50.17	334.94	6.01	-44.16
C[NH+](C)CCCCC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863830	0	47	0.0	-62.40	351.72	6.59	-55.81
CC(C)C(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)[NH+](C)C	REAL300002863839	0	47	0.0	-53.21	325.74	6.04	-47.17
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300002863852	0	55	0.0	-49.34	402.76	9.49	-39.85
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300002863852	1	55	0.0	-47.40	403.58	9.55	-37.85
CC1=C(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C=NN1C1=CC=[NH+]C=C1	REAL300002863854	1	46	0.0	-71.03	361.05	5.96	-65.07
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300002863862	0	55	0.0	-93.63	412.83	9.36	-84.27
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1	REAL300002863876	1	48	0.0	-91.03	374.07	6.73	-84.30
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C=C1	REAL300002863877	0	51	0.0	-94.52	393.75	8.34	-86.18
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863888	1	44	0.0	-72.08	344.75	4.88	-67.20
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300002863890	1	53	0.0	-88.09	395.46	7.95	-80.14
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300002863890	1	53	0.0	-98.23	395.42	7.95	-90.28
CCC[N@H+](C)CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863899	0	44	0.0	-87.26	331.89	5.70	-81.56
CCC[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863899	1	44	0.0	-87.14	331.89	5.70	-81.44
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)C1CCC1	REAL300002863922	0	45	0.0	-84.77	338.80	6.28	-78.49
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)C1CCC1	REAL300002863922	1	45	0.0	-84.41	338.90	6.27	-78.14
CC(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)[NH+]1CCSCC1	REAL300002863947	1	46	0.0	-85.58	350.11	6.27	-79.31
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)CC(C)(C)C	REAL300002863953	0	50	0.0	-87.00	360.49	6.68	-80.32
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)CC(C)(C)C	REAL300002863953	1	50	0.0	-86.37	362.45	6.85	-79.52
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863955	0	51	0.0	-90.92	391.80	8.73	-82.19
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863955	1	51	0.0	-90.99	391.80	8.74	-82.25
COCCOCC[N@H+](C)CCC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863956	0	55	0.0	-58.24	414.53	5.06	-53.18
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863956	1	55	0.0	-58.72	414.54	5.07	-53.65
CC[C@@H](C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)[NH+](C)C	REAL300002863960	0	44	0.0	-83.50	322.32	5.28	-78.22
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002863962	0	49	0.0	-87.30	360.12	4.77	-82.53
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002863962	1	49	0.0	-88.02	350.43	4.58	-83.44
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC1	REAL300002863982	1	54	0.0	-86.79	393.74	7.24	-79.55
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC1	REAL300002863982	1	54	0.0	-54.56	390.68	7.45	-47.11
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC1	REAL300002863983	1	54	0.0	-54.00	397.71	7.70	-46.30
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC1	REAL300002863983	1	54	0.0	-93.66	396.87	7.25	-86.41
CCCCCC[N@H+](C)CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863985	0	53	0.0	-88.48	396.39	8.04	-80.44
CCCCCC[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002863985	1	53	0.0	-88.37	396.39	8.05	-80.32
CS(=O)C1(C(=O)[O-])CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300002863995	0	46	0.0	-56.59	317.48	5.85	-50.74
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300002864003	1	40	0.0	-64.12	321.19	7.81	-56.31
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)C1CCSC1	REAL300002864016	0	46	0.0	-93.54	352.15	6.51	-87.03
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)C1CCSC1	REAL300002864016	1	46	0.0	-91.62	351.95	6.53	-85.09
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC1	REAL300002864032	0	56	0.0	-87.90	408.02	5.51	-82.39
CC(C)N1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC1	REAL300002864032	1	56	0.0	-57.31	398.53	5.46	-51.85
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC1	REAL300002864033	0	59	0.0	-59.82	423.21	6.43	-53.39
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC1	REAL300002864033	1	59	0.0	-60.06	422.60	6.40	-53.66
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300002864034	0	49	0.0	-78.21	357.32	7.04	-71.17
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300002864034	1	49	0.0	-46.19	350.99	7.13	-39.06
C[NH+](C)CCN1C=C(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C=N1	REAL300002864036	0	48	0.0	-69.06	367.75	5.57	-63.49
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300002864047	0	54	0.0	-59.89	392.87	7.81	-52.08
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300002864047	1	54	0.0	-60.28	401.70	7.65	-52.63
CC(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002864052	1	52	0.0	-78.40	389.07	8.66	-69.74
CC(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002864052	1	52	0.0	-76.77	388.51	8.61	-68.16
CCC(CC)C(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)[NH+]1CCOCC1	REAL300002864070	1	58	0.0	-77.05	380.87	4.89	-72.16
CCCC(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)[NH+](C)C	REAL300002864071	0	47	0.0	-54.04	337.41	6.20	-47.84
CS(=O)C1(C(=O)[O-])CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300002864072	0	55	0.0	-92.31	415.79	9.49	-82.82
CS(=O)C1(C(=O)[O-])CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300002864072	1	55	0.0	-62.93	411.82	9.69	-53.24
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)=N1	REAL300002864087	0	48	0.0	-77.02	368.15	6.24	-70.78
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864088	0	48	0.0	-55.82	363.18	5.60	-50.22
C[C@@H]1[C@H](C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC[N@@H+]1C	REAL300002864092	0	45	0.0	-61.32	322.21	5.45	-55.87
C[C@@H]1[C@H](C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC[N@H+]1C	REAL300002864092	1	45	0.0	-58.26	326.58	5.93	-52.33
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864094	1	49	0.0	-51.77	372.32	7.67	-44.10
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC[N@@H+]1C	REAL300002864097	0	48	0.0	-60.07	339.01	5.95	-54.12
CC[C@@H]1[C@@H](C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC[N@H+]1C	REAL300002864097	1	48	0.0	-56.89	343.74	6.38	-50.51
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)=NN1	REAL300002864099	1	49	0.0	-68.37	363.79	5.45	-62.92
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)=NN1	REAL300002864099	1	49	0.0	-88.16	368.35	5.12	-83.04
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864100	0	44	0.0	-83.61	337.87	6.05	-77.56
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864100	1	44	0.0	-84.64	344.58	6.48	-78.16
CC1C[N@H+](C)CC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)O1	REAL300002864106	1	46	0.0	-60.79	333.15	4.97	-55.82
CC1C[N@@H+](C)CC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)O1	REAL300002864106	1	46	0.0	-62.08	334.17	5.00	-57.08
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC1	REAL300002864112	1	51	0.0	-80.75	390.55	7.34	-73.41
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC1	REAL300002864112	1	51	0.0	-57.48	382.22	7.07	-50.41
CS(=O)C1(C(=O)[O-])CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300002864115	0	42	0.0	-51.92	310.53	5.51	-46.41
CC1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864117	1	40	0.0	-83.77	321.06	5.86	-77.91
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864119	1	49	0.0	-90.32	363.89	4.90	-85.42
CC1CC[NH+](CC(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC1	REAL300002864136	0	48	0.0	-52.35	348.93	6.89	-45.46
CC[N@@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002864147	1	46	0.0	-98.07	343.32	5.18	-92.89
CC[N@H+]1CCOC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002864147	1	46	0.0	-61.88	337.00	5.29	-56.59
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300002864185	0	55	0.0	-58.31	391.04	8.26	-50.05
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC1	REAL300002864185	1	55	0.0	-61.17	390.73	8.26	-52.91
C[N@@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864191	0	48	0.0	-58.04	353.75	6.95	-51.09
C[N@H+]1CCCC1CCC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864191	1	48	0.0	-57.88	350.12	6.78	-51.10
CS(=O)C1(C(=O)[O-])CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300002864204	0	49	0.0	-63.52	334.92	6.09	-57.43
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864206	0	46	0.0	-88.66	332.31	1.97	-86.69
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864206	1	46	0.0	-81.45	331.29	1.48	-79.97
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300002864207	0	49	0.0	-83.44	352.38	6.77	-76.67
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300002864207	1	49	0.0	-80.11	357.01	7.04	-73.07
CS(=O)C1(C(=O)[O-])CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1	REAL300002864214	0	52	0.0	-91.36	367.13	4.93	-86.43
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C=N1	REAL300002864219	0	55	0.0	-87.65	404.33	6.79	-80.86
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C=N1	REAL300002864219	1	55	0.0	-63.40	397.81	6.89	-56.51
CC[NH+](CC)CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864231	0	44	0.0	-50.87	322.35	5.76	-45.11
CC(C)[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC1	REAL300002864233	0	51	0.0	-83.51	367.26	6.82	-76.69
CS(=O)C1(C(=O)[O-])CCN(C(=O)C23CC[NH+](CC2)C3)CC1	REAL300002864313	0	43	0.0	-60.88	310.35	4.65	-56.23
CCC(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)[NH+](C)C	REAL300002864316	0	44	0.0	-51.41	316.29	5.42	-45.99
CS(=O)C1(C(=O)[O-])CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300002864324	0	46	0.0	-60.42	320.31	5.28	-55.14
CS(=O)C1(C(=O)[O-])CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300002864324	1	46	0.0	-62.12	320.33	5.29	-56.83
CC1CCC(C)[NH+]1CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864371	0	48	0.0	-50.82	334.00	6.03	-44.79
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)=C1	REAL300002864372	0	48	0.0	-64.04	364.38	7.58	-56.46
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300002864373	0	55	0.0	-56.34	397.80	9.62	-46.72
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300002864373	1	55	0.0	-80.94	413.16	9.39	-71.55
C[NH+](C)C1(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CCC1	REAL300002864411	0	45	0.0	-73.62	317.60	5.15	-68.47
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC1	REAL300002864441	0	47	0.0	-87.89	361.77	7.06	-80.83
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864443	0	51	0.0	-79.80	372.58	7.30	-72.50
CCC[N@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864443	1	51	0.0	-79.84	372.59	7.30	-72.54
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864444	0	48	0.0	-45.54	361.98	7.61	-37.93
CC[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC1	REAL300002864446	0	53	0.0	-87.82	390.11	4.84	-82.98
CCN1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC1	REAL300002864446	1	53	0.0	-57.54	384.47	5.06	-52.48
CC(C)[N@H+](C)CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864447	0	44	0.0	-84.70	327.10	5.50	-79.20
CC(C)[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864447	1	44	0.0	-83.82	327.08	5.49	-78.33
CC(C)C(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)[NH+]1CCCCC1	REAL300002864448	0	54	0.0	-77.69	376.15	7.72	-69.97
C[NH+](C)C(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)C1=CC=CC=C1	REAL300002864449	1	48	0.0	-50.84	357.54	7.64	-43.20
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300002864453	0	53	0.0	-81.34	403.88	5.70	-75.64
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300002864453	1	53	0.0	-53.97	393.40	5.89	-48.08
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864458	1	49	0.0	-51.71	371.82	7.60	-44.11
C[NH+](C)CC1=C(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)OC2=CC=CC=C21	REAL300002864460	0	51	0.0	-54.37	388.75	8.30	-46.07
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300002864466	0	52	0.0	-85.55	367.23	8.00	-77.55
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300002864466	1	52	0.0	-81.98	376.90	7.68	-74.30
CC[N@H+](CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)C1CC1	REAL300002864468	0	45	0.0	-48.79	329.89	6.30	-42.49
CC[N@@H+](CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)C1CC1	REAL300002864468	1	45	0.0	-85.50	334.01	6.19	-79.31
CC(C)C(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)[NH+]1CC(C)OC(C)C1	REAL300002864496	1	58	0.0	-80.23	404.88	6.59	-73.64
CC(C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)[NH+]1CCCCCC1	REAL300002864497	0	51	0.0	-48.56	350.78	6.77	-41.79
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864501	0	42	0.0	-77.39	317.28	5.15	-72.24
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864501	1	42	0.0	-52.54	304.83	4.93	-47.61
CS(=O)C1(C(=O)[O-])CCN(C(=O)C[NH2+]C(C)(C)C)CC1	REAL300002864586	0	44	0.0	-51.71	325.31	4.13	-47.58
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)O1	REAL300002864588	0	51	0.0	-66.77	383.66	7.60	-59.17
CS(=O)C1(C(=O)[O-])CCN(C(=O)CCCC[NH+]2CCCC2)CC1	REAL300002864589	0	51	0.0	-88.94	383.26	7.59	-81.35
CC1=CC=C(N2CCC(C(=O)N3CCC(C(=O)[O-])(S(C)=O)CC3)CC2)[NH+]=C1	REAL300002864591	1	54	0.0	-85.22	406.25	7.29	-77.93
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)CC1=CC=CC=C1	REAL300002864592	1	48	0.0	-91.83	369.33	7.89	-83.94
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)CC1=CC=CC=C1	REAL300002864592	1	48	0.0	-91.45	369.32	7.88	-83.57
CC(C)[C@@H](C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1)[NH+](C)C	REAL300002864603	0	47	0.0	-52.16	327.56	5.83	-46.33
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC1	REAL300002864621	1	43	0.0	-86.61	350.11	5.44	-81.17
C[NH+](C)CC1=CC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)=NO1	REAL300002864649	1	44	0.0	-93.16	348.91	5.65	-87.51
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864653	0	55	0.0	-57.63	405.08	9.46	-48.17
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864653	1	55	0.0	-57.70	406.03	9.49	-48.21
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864667	0	48	0.0	-49.65	341.90	6.31	-43.34
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864667	1	48	0.0	-50.71	336.89	6.77	-43.94
C[NH+]1CCC(OCC(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC1	REAL300002864689	0	49	0.0	-65.49	366.28	6.57	-58.92
CS(=O)C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300002864694	0	52	0.0	-68.27	388.60	8.03	-60.24
CCC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002864884	0	51	0.0	-53.66	360.58	7.41	-46.25
CCC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002864884	1	51	0.0	-87.96	376.27	7.26	-80.70
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864915	0	51	0.0	-49.83	367.08	7.41	-42.42
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(S(C)=O)CC1	REAL300002864915	1	51	0.0	-83.40	357.94	7.20	-76.20
CS(=O)C1(C(=O)[O-])CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300002864916	0	49	0.0	-55.39	360.06	3.59	-51.80
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002865144	0	51	0.0	-52.18	355.52	7.22	-44.96
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002865144	1	51	0.0	-76.08	362.06	7.08	-69.00
C[N@@H+]1CC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C(C(F)(F)F)C1	REAL300002865145	0	45	0.0	-90.58	343.80	5.67	-84.91
C[N@H+]1CC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C(C(F)(F)F)C1	REAL300002865145	1	45	0.0	-84.15	350.74	5.76	-78.39
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)N1	REAL300002865170	1	46	0.0	-52.11	357.54	5.78	-46.33
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)=C1	REAL300002865654	0	51	0.0	-66.08	386.88	8.41	-57.67
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C=C1	REAL300002865661	0	52	0.0	-91.25	399.36	7.23	-84.02
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002865801	0	45	0.0	-60.55	335.54	6.13	-54.42
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)CC1	REAL300002865805	0	51	0.0	-57.65	355.20	6.87	-50.78
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C(=O)[O-])(S(C)=O)CC3)=CN21	REAL300002865809	0	43	0.0	-56.80	342.50	7.53	-49.27
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002865871	0	54	0.0	-55.84	378.34	7.91	-47.93
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002865871	1	54	0.0	-51.82	378.01	8.09	-43.73
CC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002865872	0	48	0.0	-76.58	344.41	6.35	-70.23
CC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002865872	1	48	0.0	-50.67	338.88	6.70	-43.97
C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002865877	0	45	0.0	-91.57	337.15	5.85	-85.72
C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002865877	1	45	0.0	-92.68	327.71	5.72	-86.96
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)O1	REAL300002865879	1	45	0.0	-69.92	347.01	6.16	-63.76
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002865885	0	54	0.0	-62.39	369.43	6.88	-55.51
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C(=O)[O-])(S(C)=O)CC2)C1	REAL300002865885	1	54	0.0	-84.46	365.62	6.42	-78.04
CS(=O)C1(C(=O)[O-])CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300002865888	1	47	0.0	-48.71	342.13	6.98	-41.73
O=C([O-])C1=CN(C2CCN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)CC2)N=C1	REAL300002866893	0	57	0.0	-82.66	434.77	11.50	-71.16
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CC2)N=C1	REAL300002867455	0	54	0.0	-73.85	410.79	10.51	-63.34
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CC2)N=C1	REAL300002867455	1	54	0.0	-73.55	418.38	11.02	-62.53
O=C([O-])C1=CN(C2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)N=C1	REAL300002868295	0	51	0.0	-77.94	387.72	9.39	-68.55
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2)N=C1	REAL300002868320	0	48	0.0	-75.85	366.41	8.34	-67.51
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2)N=C1	REAL300002868320	1	48	0.0	-70.39	363.50	8.58	-61.81
CC1=[NH+]C=C2CCC(C(=O)N3CCC(N4C=C(C(=O)[O-])C=N4)CC3)CN21	REAL300002868326	1	49	0.0	-70.26	381.90	9.03	-61.23
O=C([O-])C1=CN(C2CCN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)CC2)N=C1	REAL300002868327	0	57	0.0	-70.94	433.06	11.29	-59.65
C[N@@H+]1CCCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002868407	0	47	0.0	-72.79	354.86	7.99	-64.80
C[N@H+]1CCCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002868407	1	47	0.0	-72.05	343.80	7.45	-64.60
CC(C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)N1CC[NH+](C)CC1	REAL300002868408	1	52	0.0	-75.82	382.05	5.96	-69.86
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002868448	0	47	0.0	-72.83	354.86	7.99	-64.84
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002868448	1	47	0.0	-72.08	343.80	7.45	-64.63
C[NH+]1CCC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)CC1	REAL300002868535	0	47	0.0	-80.72	358.39	7.99	-72.73
O=C([O-])C1=CN(C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)N=C1	REAL300002868565	0	42	0.0	-76.14	343.76	9.58	-66.56
C[NH+](C)CC1(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)CCCCC1	REAL300002868599	0	56	0.0	-71.71	389.49	9.09	-62.62
C[N@H+](CCC(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)C1CCCCC1	REAL300002868604	0	56	0.0	-78.67	412.91	10.04	-68.63
C[N@@H+](CCC(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)C1CCCCC1	REAL300002868604	1	56	0.0	-78.14	412.92	10.07	-68.07
C[N@@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002868621	0	44	0.0	-76.09	333.22	6.92	-69.17
C[N@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002868621	1	44	0.0	-72.83	336.22	7.24	-65.59
C[NH+]1CCC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)CC1	REAL300002868677	0	47	0.0	-80.72	358.39	7.99	-72.73
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)CC2)N=C1	REAL300002868681	0	50	0.0	-82.48	402.36	8.71	-73.77
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CC2)N=C1	REAL300002868701	0	57	0.0	-72.73	407.16	10.14	-62.59
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@H+]3C3CCCC3)CC2)N=C1	REAL300002868701	1	57	0.0	-71.72	406.88	10.14	-61.58
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)CC2)N=C1	REAL300002868702	0	58	0.0	-79.73	425.96	8.57	-71.16
CC1=[NH+]C=CN1CCCC(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002868738	1	48	0.0	-73.24	385.48	9.36	-63.88
O=C([O-])C1=CN(C2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)N=C1	REAL300002868739	1	54	0.0	-80.24	412.73	8.05	-72.19
CC[N@H+](CC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C=C1)C(C)C	REAL300002868742	0	59	0.0	-80.33	439.16	11.17	-69.16
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C=C1)C(C)C	REAL300002868742	1	59	0.0	-78.99	429.45	10.71	-68.28
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002868745	0	44	0.0	-76.46	333.37	6.92	-69.54
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002868745	1	44	0.0	-72.90	334.07	7.13	-65.77
C[NH+](C)C1(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)CC1	REAL300002868754	0	44	0.0	-73.39	333.51	6.87	-66.52
O=C([O-])C1=CN(C2CCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CC2)N=C1	REAL300002868800	0	54	0.0	-78.40	416.69	10.78	-67.62
O=C([O-])C1=CN(C2CCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CC2)N=C1	REAL300002868800	1	54	0.0	-77.69	417.13	10.80	-66.89
O=C([O-])C1=CN(C2CCN(C(=O)C3CC[NH+](C4CCSC4)CC3)CC2)N=C1	REAL300002868801	0	55	0.0	-85.32	413.61	9.96	-75.36
O=C([O-])C1=CN(C2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CC2)N=C1	REAL300002868825	0	58	0.0	-77.02	411.27	8.34	-68.68
CCC(C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)[NH+](CC)CC	REAL300002868829	0	52	0.0	-68.59	375.19	8.60	-59.99
CC(C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300002868831	0	53	0.0	-74.88	407.82	10.41	-64.47
CC(C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300002868831	1	53	0.0	-75.08	407.35	10.34	-64.74
C[NH+](C)CC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C=N1	REAL300002868864	0	49	0.0	-81.43	388.77	8.16	-73.27
CCC[NH+](CCC)CCCC(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002868870	0	58	0.0	-77.53	432.55	10.39	-67.14
CC[N@H+](C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)C1=CC=CC=C1	REAL300002868871	0	53	0.0	-73.81	403.46	10.31	-63.50
CC[N@@H+](C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)C1=CC=CC=C1	REAL300002868871	1	53	0.0	-72.98	403.59	10.34	-62.64
C[N@@H+]1CCOC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300002868873	1	45	0.0	-82.38	340.41	6.49	-75.89
C[N@H+]1CCOC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300002868873	1	45	0.0	-87.96	347.34	6.66	-81.30
CC[NH+](CC)C(C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)C1=CC=CC=C1	REAL300002868875	0	56	0.0	-74.89	410.58	10.81	-64.08
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002868884	1	48	0.0	-70.75	380.23	9.16	-61.59
C[NH+](C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)C1=CC=C(Cl)C=C1	REAL300002868889	1	50	0.0	-79.86	402.45	10.19	-69.67
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)CC2)N=C1	REAL300002868902	0	54	0.0	-83.18	416.12	10.71	-72.47
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)CC2)N=C1	REAL300002868909	0	57	0.0	-76.17	434.09	11.46	-64.71
CCC(C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)[N@@H+]1CCOC(CC)C1	REAL300002868911	1	57	0.0	-72.77	419.48	8.42	-64.35
CCC(C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)[N@H+]1CCOC(CC)C1	REAL300002868911	1	57	0.0	-73.21	413.72	8.46	-64.75
C[NH+](C)CC1(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)CC1	REAL300002868913	0	47	0.0	-79.70	361.57	7.88	-71.82
C[NH+](C)CCCCC(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002868922	0	49	0.0	-78.14	379.83	8.61	-69.53
CC(C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)[NH+](C)C	REAL300002868931	0	49	0.0	-71.94	357.27	7.95	-63.99
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)CC2)N=C1	REAL300002868944	0	57	0.0	-75.65	423.63	11.20	-64.45
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)CC2)N=C1	REAL300002868944	1	57	0.0	-76.06	423.48	11.20	-64.86
CC1=C(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C=NN1C1=CC=[NH+]C=C1	REAL300002868946	1	48	0.0	-81.31	389.95	8.03	-73.28
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)CC2)N=C1	REAL300002868954	0	57	0.0	-83.03	434.09	11.46	-71.57
O=C([O-])C1=CN(C2CCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)CC2)N=C1	REAL300002868967	1	50	0.0	-81.10	395.90	8.86	-72.24
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C=C1	REAL300002868968	0	53	0.0	-85.29	413.82	10.41	-74.88
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002868979	1	46	0.0	-68.21	366.54	6.99	-61.22
O=C([O-])C1=CN(C2CCN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)CC2)N=C1	REAL300002868981	1	55	0.0	-85.86	417.48	10.05	-75.81
O=C([O-])C1=CN(C2CCN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)CC2)N=C1	REAL300002868981	1	55	0.0	-89.16	424.09	10.23	-78.93
CCC[N@H+](C)CC(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002868990	0	46	0.0	-76.21	353.74	7.83	-68.38
CCC[N@@H+](C)CC(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002868990	1	46	0.0	-76.33	353.71	7.83	-68.50
C[N@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)C1CCC1	REAL300002869012	0	47	0.0	-73.50	360.58	8.40	-65.10
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CC(C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)[NH+]1CCCCCC1	REAL300002869584	0	53	0.0	-71.11	382.21	8.86	-62.25
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002869588	0	44	0.0	-72.89	339.15	7.26	-65.63
C[N@H+]1CCC[C@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002869588	1	44	0.0	-72.55	333.17	6.93	-65.62
CC(C)(C)[NH2+]CC(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002869671	0	46	0.0	-75.11	353.46	6.14	-68.97
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)O1	REAL300002869673	0	53	0.0	-79.17	410.60	9.54	-69.63
O=C([O-])C1=CN(C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)N=C1	REAL300002869674	0	53	0.0	-76.96	405.09	9.72	-67.24
CC1=CC=C(N2CCC(C(=O)N3CCC(N4C=C(C(=O)[O-])C=N4)CC3)CC2)[NH+]=C1	REAL300002869676	1	56	0.0	-75.96	427.87	9.39	-66.57
C[N@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)CC1=CC=CC=C1	REAL300002869677	1	50	0.0	-80.39	391.16	10.00	-70.39
C[N@@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)CC1=CC=CC=C1	REAL300002869677	1	50	0.0	-80.64	391.19	10.01	-70.63
CC(C)[C@@H](C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1)[NH+](C)C	REAL300002869688	0	49	0.0	-75.46	354.45	8.04	-67.42
O=C([O-])C1=CN(C2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC2)N=C1	REAL300002869706	1	45	0.0	-81.75	370.87	7.53	-74.22
C[NH+](C)CC1=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)=NO1	REAL300002869734	1	46	0.0	-80.68	370.45	7.73	-72.95
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002869738	0	57	0.0	-85.61	436.48	11.29	-74.32
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002869738	1	57	0.0	-85.58	436.79	11.29	-74.29
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002869751	0	50	0.0	-71.16	361.31	8.61	-62.55
CC(C)[N@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002869751	1	50	0.0	-74.13	365.30	8.76	-65.37
C[NH+]1CCC(OCC(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)CC1	REAL300002869774	0	51	0.0	-81.41	394.39	8.59	-72.82
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)CC2)N=C1	REAL300002869778	0	54	0.0	-81.79	416.72	10.04	-71.75
CCC[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300002869964	0	53	0.0	-76.48	397.71	9.34	-67.14
CCC[N@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300002869964	1	53	0.0	-70.11	389.78	9.49	-60.62
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002869995	0	53	0.0	-74.06	392.14	9.02	-65.04
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])C=N2)CC1	REAL300002869995	1	53	0.0	-72.04	395.68	9.41	-62.63
O=C([O-])C1=CN(C2CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)N=C1	REAL300002869996	0	51	0.0	-77.64	387.89	5.59	-72.05
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300002870221	0	53	0.0	-73.39	392.69	9.10	-64.29
CC(C)[N@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300002870221	1	53	0.0	-76.93	383.80	8.99	-67.94
C[N@@H+]1CC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C(C(F)(F)F)C1	REAL300002870222	0	47	0.0	-84.15	364.83	8.42	-75.73
C[N@H+]1CC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C(C(F)(F)F)C1	REAL300002870222	1	47	0.0	-77.16	372.24	7.88	-69.28
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)N1	REAL300002870248	1	48	0.0	-71.02	385.68	7.78	-63.24
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)=C1	REAL300002870732	0	53	0.0	-78.99	413.79	10.40	-68.59
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C=C1	REAL300002870739	0	54	0.0	-81.46	422.37	9.38	-72.08
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300002870875	0	47	0.0	-74.18	363.45	8.15	-66.03
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)CC1	REAL300002870879	0	53	0.0	-75.03	383.33	8.88	-66.15
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(N4C=C(C(=O)[O-])C=N4)CC3)=CN21	REAL300002870883	0	45	0.0	-75.58	370.64	9.55	-66.03
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300002870944	0	56	0.0	-78.05	415.21	10.07	-67.98
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300002870944	1	56	0.0	-76.94	415.48	10.07	-66.87
CC[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300002870945	0	50	0.0	-69.86	367.21	8.68	-61.18
CC[N@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300002870945	1	50	0.0	-75.97	376.11	8.60	-67.37
C[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300002870950	0	47	0.0	-75.73	350.74	8.11	-67.62
C[N@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300002870950	1	47	0.0	-69.61	349.33	8.06	-61.55
C[NH+](C)CC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)O1	REAL300002870952	1	47	0.0	-77.81	374.93	8.06	-69.75
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300002870958	0	56	0.0	-78.20	396.73	9.02	-69.18
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(N3C=C(C(=O)[O-])C=N3)CC2)C1	REAL300002870958	1	56	0.0	-80.41	398.38	8.97	-71.44
O=C([O-])C1=CN(C2CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC2)N=C1	REAL300002870961	1	49	0.0	-69.92	365.13	9.23	-60.69
CC1(C(=O)[O-])CCCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002872277	0	53	0.0	-84.28	388.26	11.47	-72.81
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300002873058	0	50	0.0	-72.74	368.23	10.85	-61.89
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300002873058	1	50	0.0	-71.51	368.16	10.85	-60.66
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300002873854	1	50	0.0	-70.99	379.67	10.97	-60.02
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300002873854	1	50	0.0	-70.29	380.58	11.00	-59.29
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(C)(C(=O)[O-])C3)CN12	REAL300002873942	1	45	0.0	-52.37	334.84	8.93	-43.44
CC1(C(=O)[O-])CCCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300002873943	0	53	0.0	-72.01	377.82	10.77	-61.24
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC(C)(C(=O)[O-])C3)CC2)=CS1	REAL300002874008	1	52	0.0	-84.42	396.01	9.25	-75.17
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300002874083	0	56	0.0	-80.79	421.56	11.20	-69.59
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300002874097	0	56	0.0	-83.26	422.83	13.20	-70.06
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300002874097	1	56	0.0	-83.91	421.86	13.15	-70.76
CC1(C(=O)N2CCCC(C)(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002874098	0	56	0.0	-74.48	393.12	11.39	-63.09
CC1(C(=O)[O-])CCCN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002874141	0	53	0.0	-73.85	393.31	11.05	-62.80
CC1(C(=O)[O-])CCCN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002874141	1	53	0.0	-75.98	392.30	10.87	-65.11
C[NH+](C)CC1(C(=O)N2CCCC(C)(C(=O)[O-])C2)CCCCC1	REAL300002874181	0	52	0.0	-78.66	336.16	8.88	-69.78
C[N@H+](CCC(=O)N1CCCC(C)(C(=O)[O-])C1)C1CCCCC1	REAL300002874184	0	52	0.0	-78.36	366.31	10.01	-68.35
C[N@@H+](CCC(=O)N1CCCC(C)(C(=O)[O-])C1)C1CCCCC1	REAL300002874184	1	52	0.0	-78.45	366.32	10.01	-68.44
CC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300002874208	1	53	0.0	-76.10	383.46	11.22	-64.88
CC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300002874208	1	53	0.0	-74.51	380.27	11.09	-63.42
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300002874209	1	50	0.0	-71.80	369.35	10.51	-61.29
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300002874209	1	50	0.0	-71.02	370.26	10.56	-60.46
CC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300002874264	0	46	0.0	-82.08	355.48	8.64	-73.44
C[NH+](C)CCN1N=CC(C(=O)N2CCCC(C)(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300002874269	0	56	0.0	-80.93	420.41	10.92	-70.01
CC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300002874295	0	53	0.0	-68.98	360.67	10.41	-58.57
CC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300002874295	1	53	0.0	-67.02	363.10	10.11	-56.91
CC1(C(=O)[O-])CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300002874296	0	54	0.0	-83.88	379.40	8.54	-75.34
CC1(C(=O)[O-])CCCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300002874324	1	50	0.0	-81.61	366.17	8.01	-73.60
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300002874325	0	55	0.0	-84.63	386.24	10.81	-73.82
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300002874325	1	55	0.0	-63.21	384.30	10.85	-52.36
CC1(C(=O)[O-])CCCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002874349	0	50	0.0	-77.35	369.86	10.74	-66.61
CC1(C(=O)[O-])CCCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002874349	1	50	0.0	-76.67	369.12	10.69	-65.98
CC1(C(=O)[O-])CCCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300002874350	0	51	0.0	-62.30	370.75	10.17	-52.13
C[NH+]1CCN(C(C(=O)N2CCCC(C)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300002874372	1	55	0.0	-74.18	397.62	9.42	-64.76
CC1(C(=O)[O-])CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300002874373	0	54	0.0	-77.43	364.00	8.28	-69.15
CC(C(=O)N1CCCC(C)(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300002874376	0	49	0.0	-73.80	360.57	10.33	-63.47
CC(C(=O)N1CCCC(C)(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002874376	1	49	0.0	-73.85	360.00	10.28	-63.57
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300002874386	0	56	0.0	-74.64	402.99	12.47	-62.17
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300002874386	1	56	0.0	-69.67	402.29	12.44	-57.23
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)C=N1	REAL300002874417	0	45	0.0	-84.02	342.36	8.11	-75.91
CCC[NH+](CCC)CCCC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002874429	0	54	0.0	-77.98	385.98	10.33	-67.65
CC1(C(=O)[O-])CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300002874430	1	54	0.0	-68.74	391.84	8.11	-60.63
CC[N@H+](C)C(C(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002874431	0	49	0.0	-66.11	356.57	10.27	-55.84
CC[N@@H+](C)C(C(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002874431	1	49	0.0	-66.30	357.22	10.30	-56.00
CC[NH+](CC)C(C(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002874436	0	52	0.0	-69.24	360.76	10.47	-58.77
C[NH+](C)C(C(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300002874442	1	46	0.0	-70.62	355.77	10.12	-60.50
CC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300002874456	0	50	0.0	-84.66	369.25	10.65	-74.01
CC1(C(=O)[O-])CCCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300002874463	0	53	0.0	-79.07	387.06	11.44	-67.63
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(C)(C(=O)[O-])C3)CC2)CC1	REAL300002874469	0	61	0.0	-81.69	421.25	9.08	-72.61
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300002874476	1	57	0.0	-87.36	420.83	10.44	-76.92
CC1(C(=O)[O-])CCCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002874485	1	54	0.0	-85.89	402.17	10.96	-74.93
CC1(C(=O)[O-])CCCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002874485	1	54	0.0	-89.33	395.72	10.91	-78.42
CC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300002874499	0	53	0.0	-70.13	374.15	11.00	-59.13
CC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300002874499	1	53	0.0	-70.08	373.84	10.97	-59.11
CC1=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300002874501	1	44	0.0	-82.26	339.80	7.94	-74.32
CC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300002874509	0	53	0.0	-86.06	388.05	11.43	-74.63
CC1(C(=O)[O-])CCCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300002874521	1	46	0.0	-80.48	349.49	8.81	-71.67
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300002874522	0	49	0.0	-87.44	369.02	10.43	-77.01
CC1(C(=O)[O-])CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002874530	1	51	0.0	-55.34	378.36	10.20	-45.14
CC1(C(=O)[O-])CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300002874530	1	51	0.0	-79.81	370.74	10.02	-69.79
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002874536	0	60	0.0	-66.80	434.41	11.94	-54.86
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002874536	1	60	0.0	-65.38	431.06	12.09	-53.29
CC(C(=O)N1CCCC(C)(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002874544	0	59	0.0	-72.89	425.00	12.82	-60.07
CC(C(=O)N1CCCC(C)(C(=O)[O-])C1)[NH+]1CCSCC1	REAL300002874574	1	44	0.0	-72.54	324.91	8.30	-64.24
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002874581	0	49	0.0	-76.95	366.78	10.80	-66.15
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002874581	1	49	0.0	-77.00	366.77	10.80	-66.20
COCCOCC[N@H+](C)CCC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002874582	0	53	0.0	-77.61	396.07	7.03	-70.58
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002874582	1	53	0.0	-79.11	396.03	7.04	-72.07
CC1(C(=O)[O-])CCCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300002874592	0	58	0.0	-83.05	422.20	10.55	-72.50
CC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300002874593	1	52	0.0	-75.25	372.21	9.40	-65.85
CC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300002874593	1	52	0.0	-74.37	368.85	9.23	-65.14
CC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300002874594	1	52	0.0	-70.54	380.03	9.67	-60.87
CC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300002874594	1	52	0.0	-74.14	378.91	9.66	-64.48
C[N@H+](CC(=O)N1CCCC(C)(C(=O)[O-])C1)C1CCSC1	REAL300002874618	0	44	0.0	-77.83	327.21	8.60	-69.23
C[N@@H+](CC(=O)N1CCCC(C)(C(=O)[O-])C1)C1CCSC1	REAL300002874618	1	44	0.0	-79.15	327.24	8.59	-70.56
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300002874629	0	54	0.0	-76.89	383.28	7.60	-69.29
CC(C)N1CC[NH+](CCC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300002874629	1	54	0.0	-78.02	379.49	7.38	-70.64
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300002874630	0	57	0.0	-74.87	404.75	8.39	-66.48
CC(C)N1CC[NH+](CCCC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300002874630	1	57	0.0	-78.63	401.24	8.18	-70.45
C[NH+](C)CCN1C=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)C=N1	REAL300002874632	0	46	0.0	-82.58	349.37	7.53	-75.05
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(C)(C(=O)[O-])C3)CC2)=C1	REAL300002874637	0	58	0.0	-82.28	422.36	10.46	-71.82
CC1(C(=O)[O-])CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300002874639	0	55	0.0	-82.39	400.96	9.79	-72.60
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300002874643	0	52	0.0	-79.84	383.29	9.70	-70.14
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300002874643	1	52	0.0	-81.82	373.57	9.53	-72.29
CC(C(=O)N1CCCC(C)(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002874648	1	50	0.0	-51.97	361.08	10.65	-41.32
CC(C(=O)N1CCCC(C)(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002874648	1	50	0.0	-71.87	362.96	10.65	-61.22
CCC(CC)C(C(=O)N1CCCC(C)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300002874663	1	56	0.0	-68.78	371.73	8.32	-60.46
CC1(C(=O)[O-])CCCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002874676	0	53	0.0	-82.18	391.47	11.56	-70.62
CC1(C(=O)[O-])CCCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002874676	1	53	0.0	-82.61	393.17	11.67	-70.94
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300002874688	0	46	0.0	-90.19	349.25	8.22	-81.97
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002874689	0	46	0.0	-65.73	343.83	7.60	-58.13
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002874694	1	47	0.0	-70.04	353.81	9.63	-60.41
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(C)(C(=O)[O-])C2)=NN1	REAL300002874697	1	47	0.0	-82.84	351.04	7.77	-75.07
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(C)(C(=O)[O-])C2)=NN1	REAL300002874697	1	47	0.0	-83.11	351.42	7.72	-75.39
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300002874708	0	53	0.0	-79.83	394.76	11.53	-68.30
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300002874708	1	53	0.0	-79.74	393.70	11.49	-68.25
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300002874709	1	49	0.0	-65.88	363.15	9.33	-56.55
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300002874709	1	49	0.0	-75.68	363.31	9.04	-66.64
CC1(C(=O)[O-])CCCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300002874713	0	54	0.0	-82.35	398.20	9.17	-73.18
CC1(C(=O)[O-])CCCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300002874759	0	53	0.0	-75.46	369.62	10.16	-65.30
CC1(C(=O)[O-])CCCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300002874759	1	53	0.0	-74.58	373.46	10.26	-64.32
CC1(C(=O)[O-])CCCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300002874779	0	58	0.0	-81.40	418.28	10.56	-70.84
CC1(C(=O)[O-])CCCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300002874779	1	58	0.0	-76.08	411.23	10.42	-65.66
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002874786	0	50	0.0	-76.02	338.74	6.94	-69.08
CC(C)[N@@H+]1CCC(C(=O)N2CCCC(C)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300002874789	0	59	0.0	-76.82	407.09	9.64	-67.18
CC(C)[N@H+]1CCC(C(=O)N2CCCC(C)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300002874789	1	59	0.0	-86.60	421.12	9.80	-76.80
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCCC(C)(C(=O)[O-])C2)C=N1	REAL300002874790	0	53	0.0	-89.56	386.24	8.73	-80.83
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCCC(C)(C(=O)[O-])C2)C=N1	REAL300002874790	1	53	0.0	-82.66	378.52	8.90	-73.76
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(C)(C(=O)[O-])C3)=C2)CC1	REAL300002874796	0	55	0.0	-76.20	404.95	8.98	-67.22
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300002874797	0	55	0.0	-82.02	403.83	8.97	-73.05
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300002874797	1	55	0.0	-85.93	402.52	8.81	-77.12
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300002874798	0	56	0.0	-62.56	409.88	10.62	-51.94
CC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300002874899	0	57	0.0	-87.41	417.68	8.67	-78.74
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300002874903	0	46	0.0	-80.17	344.90	9.57	-70.60
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002874904	0	53	0.0	-75.48	380.03	11.61	-63.87
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002874904	1	53	0.0	-75.74	387.27	11.42	-64.32
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002874960	0	46	0.0	-65.21	343.27	9.58	-55.63
CC[NH+]1CCN(CCC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300002874962	0	51	0.0	-78.46	366.54	7.09	-71.37
CCN1CC[NH+](CCC(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300002874962	1	51	0.0	-77.95	366.72	7.10	-70.85
CC(C)C(C(=O)N1CCCC(C)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300002874965	0	52	0.0	-69.33	352.11	9.89	-59.44
C[NH+](C)C(C(=O)N1CCCC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300002874966	1	46	0.0	-67.99	339.70	9.68	-58.31
CC1(C(=O)[O-])CCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002874970	0	51	0.0	-54.99	370.75	7.66	-47.33
CC1(C(=O)[O-])CCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002874970	1	51	0.0	-75.15	377.82	7.69	-67.46
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002874975	1	47	0.0	-69.33	352.91	9.59	-59.74
C[NH+](C)CC1=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300002874976	0	49	0.0	-62.38	364.39	10.06	-52.32
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300002874980	0	50	0.0	-72.27	331.38	8.90	-63.37
CC1(C(=O)[O-])CCCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300002874980	1	50	0.0	-72.12	343.70	9.86	-62.26
CC1(C(=O)[O-])CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300002875003	1	51	0.0	-66.60	377.02	11.12	-55.48
CC(C)C(C(=O)N1CCCC(C)(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300002875004	1	56	0.0	-68.89	379.25	8.82	-60.07
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C)(C(=O)[O-])C3)=CC=C1N2	REAL300002875032	1	51	0.0	-87.01	381.89	10.00	-77.01
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C)(C(=O)[O-])C3)=CC=C1N2	REAL300002875032	1	51	0.0	-87.58	381.09	9.95	-77.63
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)O1	REAL300002875084	0	49	0.0	-80.34	364.18	9.48	-70.86
CC1=CC=C(N2CCC(C(=O)N3CCCC(C)(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300002875085	1	52	0.0	-54.92	381.53	9.38	-45.54
C[N@H+](CC(=O)N1CCCC(C)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002875086	1	46	0.0	-78.23	344.31	9.95	-68.28
C[N@@H+](CC(=O)N1CCCC(C)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002875086	1	46	0.0	-78.17	344.35	9.94	-68.23
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300002875089	0	58	0.0	-84.03	413.67	9.90	-74.13
CC1(C(=O)[O-])CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300002875100	1	41	0.0	-80.83	325.52	7.52	-73.31
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002875134	0	53	0.0	-77.64	381.65	11.08	-66.56
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300002875134	1	53	0.0	-77.27	387.67	11.71	-65.56
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300002875152	0	54	0.0	-84.57	408.82	10.92	-73.65
CC1(C(=O)[O-])CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300002875170	0	50	0.0	-82.33	369.49	9.93	-72.40
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(C)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002875201	0	52	0.0	-78.66	380.19	9.53	-69.13
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(C)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300002875201	1	52	0.0	-72.41	377.08	9.35	-63.06
CC1(C(=O)[O-])CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300002875440	0	54	0.0	-83.03	390.17	11.55	-71.48
CC1(C(=O)[O-])CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300002875440	1	54	0.0	-85.75	394.54	11.57	-74.18
CC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300002875472	1	53	0.0	-69.17	390.44	11.51	-57.66
CC1(C(=O)[O-])CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300002875472	1	53	0.0	-68.97	390.41	11.49	-57.48
C[N@@H+]1CC(C(=O)N2CCCC(C)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300002875555	0	43	0.0	-79.26	327.94	7.93	-71.33
C[N@H+]1CC(C(=O)N2CCCC(C)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300002875555	1	43	0.0	-88.76	318.41	8.37	-80.39
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300002875987	0	49	0.0	-79.31	368.61	10.44	-68.87
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300002875993	0	50	0.0	-64.40	374.40	9.31	-55.09
CC1(C(=O)[O-])CCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300002876072	0	56	0.0	-78.48	407.53	12.36	-66.12
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2)CCO1	REAL300002876074	1	54	0.0	-88.94	399.57	9.78	-79.16
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2)CCO1	REAL300002876074	1	54	0.0	-89.20	400.59	9.78	-79.42
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300002876160	0	52	0.0	-74.69	368.75	9.99	-64.70
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300002876160	1	52	0.0	-74.69	368.75	9.99	-64.70
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300002876168	0	52	0.0	-89.15	342.93	8.43	-80.72
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300002876168	1	52	0.0	-89.15	342.93	8.43	-80.72
CC1(C)C(C2=CC=CC=C2)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002876241	0	53	0.0	-48.47	378.33	11.23	-37.24
CC1(C)C(C2=CC=CC=C2)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002876241	1	53	0.0	-48.47	378.33	11.23	-37.24
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)N[C@@H]1CCC[C@H](C2CC2)C1	REAL300002876325	0	50	0.0	-44.65	362.74	8.72	-35.93
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCOC2(CCOCC2)C1	REAL300002876433	0	52	0.0	-49.63	375.17	5.44	-44.19
O=C([O-])C1=CC=C(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)S1	REAL300002877819	0	47	0.0	-76.89	387.03	10.03	-66.86
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CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(C)(C)C(=O)[O-]	REAL300002894394	1	47	0.0	-76.73	345.36	9.07	-67.66
CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(C)(C)C(=O)[O-]	REAL300002894394	1	47	0.0	-76.67	344.28	9.01	-67.66
CC(C(=O)N(C)C(C)(C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002894402	0	55	0.0	-62.22	396.93	12.11	-50.11
COCCOCC[N@H+](C)CCC(=O)N(C)C(C)(C)C(=O)[O-]	REAL300002894418	0	49	0.0	-66.75	370.14	6.42	-60.33
COCCOCC[N@@H+](C)CCC(=O)N(C)C(C)(C)C(=O)[O-]	REAL300002894418	1	49	0.0	-69.91	370.30	6.34	-63.57
CN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300002894423	0	54	0.0	-74.30	396.42	9.85	-64.45
CC(C)[NH+]1CCN(CCCC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300002894439	0	53	0.0	-71.60	378.97	7.69	-63.91
CC(C)N1CC[NH+](CCCC(=O)N(C)C(C)(C)C(=O)[O-])CC1	REAL300002894439	1	53	0.0	-70.74	375.28	7.48	-63.26
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)C(C)(C)C(=O)[O-])CC2)=C1	REAL300002894443	0	54	0.0	-70.10	396.32	9.70	-60.40
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300002894444	0	51	0.0	-70.60	374.92	9.07	-61.53
CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(C)(C)C(=O)[O-]	REAL300002894446	0	48	0.0	-69.26	353.38	8.86	-60.40
CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(C)(C)C(=O)[O-]	REAL300002894446	1	48	0.0	-67.70	347.13	8.94	-58.76
CC(C(=O)N(C)C(C)(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002894449	1	46	0.0	-59.71	332.78	9.83	-49.88
CC(C(=O)N(C)C(C)(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002894449	1	46	0.0	-60.80	332.35	9.81	-50.99
CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300002894462	0	49	0.0	-75.69	367.24	10.93	-64.76
CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300002894462	1	49	0.0	-75.31	366.45	10.94	-64.37
CN(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(C)(C)C(=O)[O-]	REAL300002894472	0	49	0.0	-68.71	359.32	10.79	-57.92
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(C)(C)C(=O)[O-]	REAL300002894472	1	49	0.0	-61.62	358.63	10.78	-50.84
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(C)(C)C(=O)[O-]	REAL300002894474	0	50	0.0	-70.59	372.64	8.46	-62.13
CN(C(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1)C(C)(C)C(=O)[O-]	REAL300002894497	0	51	0.0	-73.91	377.20	8.23	-65.68
CN(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(C)(C)C(=O)[O-]	REAL300002894498	0	51	0.0	-88.10	372.85	7.93	-80.17
CN(C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(C)(C)C(=O)[O-]	REAL300002894498	1	51	0.0	-87.55	373.19	7.99	-79.56
CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300002894523	0	49	0.0	-63.03	353.46	10.76	-52.27
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)C(=O)[O-]	REAL300002894523	1	49	0.0	-65.35	359.88	10.75	-54.60
CN(C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(C)(C)C(=O)[O-]	REAL300002894585	1	47	0.0	-95.73	352.45	9.27	-86.46
CN(C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(C)(C)C(=O)[O-]	REAL300002894585	1	47	0.0	-82.72	353.61	9.23	-73.49
CC1=CC=C(N2CCC(C(=O)N(C)C(C)(C)C(=O)[O-])CC2)[NH+]=C1	REAL300002894618	1	48	0.0	-73.91	351.32	8.49	-65.42
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)C(C)(C)C(=O)[O-])C=C2)CC1	REAL300002894621	0	54	0.0	-87.38	383.14	9.06	-78.32
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C(C)(C)C(=O)[O-]	REAL300002894642	0	49	0.0	-65.55	362.16	10.76	-54.79
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C(C)(C)C(=O)[O-]	REAL300002894642	1	49	0.0	-63.50	360.41	10.70	-52.80
CN(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(C)(C)C(=O)[O-]	REAL300002894655	0	50	0.0	-86.98	383.77	10.18	-76.80
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(C)(C)C(=O)[O-]	REAL300002894664	0	46	0.0	-82.50	344.81	9.44	-73.06
CN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(C)(C)C(=O)[O-]	REAL300002895040	0	46	0.0	-85.14	344.91	8.46	-76.68
CN(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(C)(C)C(=O)[O-]	REAL300002895084	0	52	0.0	-70.16	381.83	11.60	-58.56
CC1C[N@H+](CC2=CC=C(C(=O)N(C)C(C)(C)C(=O)[O-])C=C2)CCO1	REAL300002895086	1	50	0.0	-88.99	364.85	9.02	-79.97
CC1C[N@@H+](CC2=CC=C(C(=O)N(C)C(C)(C)C(=O)[O-])C=C2)CCO1	REAL300002895086	1	50	0.0	-87.56	362.18	8.98	-78.58
O=C([O-])C1=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=CC=C1N1CCCCC1	REAL300002896669	0	56	0.0	-88.15	413.25	10.90	-77.25
O=C([O-])C1=CC(NC(=O)C2CCC[N@@H+]2C2CC2)=CC=C1N1CCCCC1	REAL300002896692	0	53	0.0	-71.11	387.94	10.51	-60.60
O=C([O-])C1=CC(NC(=O)C2CCC[N@H+]2C2CC2)=CC=C1N1CCCCC1	REAL300002896692	1	53	0.0	-73.26	391.90	9.83	-63.43
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(N4CCCCC4)C(C(=O)[O-])=C3)CN21	REAL300002896698	1	54	0.0	-78.11	411.49	10.76	-67.35
C[NH+](C)CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002896758	1	45	0.0	-80.60	344.07	8.04	-72.56
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002896759	0	52	0.0	-78.53	385.78	9.66	-68.87
C[N@H+]1CCCCC1C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002896759	1	52	0.0	-75.62	385.60	9.67	-65.95
CC(C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300002896760	1	57	0.0	-83.15	417.03	7.89	-75.26
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002896793	0	52	0.0	-78.55	385.77	9.66	-68.89
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002896793	1	52	0.0	-79.76	376.37	9.46	-70.30
C[NH+]1CCC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CC1	REAL300002896849	0	52	0.0	-91.52	388.42	9.70	-81.82
O=C([O-])C1=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=CC=C1N1CCCCC1	REAL300002896879	0	47	0.0	-85.11	374.24	11.56	-73.55
C[NH+](C)CC1(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CCCCC1	REAL300002896906	0	61	0.0	-78.01	431.86	11.47	-66.54
C[N@H+](CCC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)C1CCCCC1	REAL300002896911	0	61	0.0	-84.78	442.48	11.63	-73.15
C[N@@H+](CCC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)C1CCCCC1	REAL300002896911	1	61	0.0	-85.32	442.48	11.64	-73.68
C[N@@H+]1CCCC1C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002896925	0	49	0.0	-71.63	369.62	9.00	-62.63
C[N@H+]1CCCC1C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002896925	1	49	0.0	-71.66	370.55	9.04	-62.62
C[NH+]1CCC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CC1	REAL300002896973	0	52	0.0	-91.52	388.42	9.70	-81.82
O=C([O-])C1=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=CC=C1N1CCCCC1	REAL300002896985	0	62	0.0	-68.93	441.58	11.86	-57.07
O=C([O-])C1=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=CC=C1N1CCCCC1	REAL300002896985	1	62	0.0	-68.25	441.20	11.89	-56.36
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897014	1	53	0.0	-82.57	415.04	10.96	-71.61
O=C([O-])C1=CC(NC(=O)CCCC[NH+]2CCOCC2)=CC=C1N1CCCCC1	REAL300002897015	1	59	0.0	-89.27	442.33	9.63	-79.64
C[C@@H](C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)[NH+](C)C	REAL300002897021	0	48	0.0	-80.62	362.05	8.48	-72.14
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897022	0	49	0.0	-78.65	364.00	8.60	-70.05
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897022	1	49	0.0	-77.68	369.37	9.10	-68.58
C[C@H](C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)[NH+](C)C	REAL300002897026	0	48	0.0	-80.22	361.90	8.46	-71.76
C[NH+](C)C1(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CC1	REAL300002897034	1	49	0.0	-74.05	366.24	9.62	-64.43
CCC(C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)[NH+](CC)CC	REAL300002897093	0	57	0.0	-72.83	409.41	10.36	-62.47
CC(C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)[N@H+](C)CC1=CC=CC=C1	REAL300002897095	0	58	0.0	-83.35	438.79	12.04	-71.31
CC(C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002897095	1	58	0.0	-83.15	438.73	12.03	-71.12
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C=N1	REAL300002897113	0	54	0.0	-94.34	418.00	10.05	-84.29
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897117	0	63	0.0	-84.49	466.06	12.27	-72.22
CC[N@H+](C)C(C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300002897118	0	58	0.0	-78.12	436.23	12.19	-65.93
CC[N@@H+](C)C(C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300002897118	1	58	0.0	-78.99	436.99	12.14	-66.85
C[N@@H+]1CCOC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002897119	1	50	0.0	-90.26	374.38	8.24	-82.02
C[N@H+]1CCOC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002897119	1	50	0.0	-101.19	381.46	8.41	-92.78
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897130	1	53	0.0	-76.08	409.72	10.78	-65.30
C[NH+](C)CC1(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CC1	REAL300002897142	0	52	0.0	-69.24	393.97	9.79	-59.45
C[NH+](C)CCCCC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897147	0	54	0.0	-88.04	409.43	10.19	-77.85
CC(C)C(C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)[NH+](C)C	REAL300002897156	0	54	0.0	-79.97	390.02	9.59	-70.38
O=C([O-])C1=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=CC=C1N1CCCCC1	REAL300002897170	1	55	0.0	-84.06	427.47	10.15	-73.91
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C=C1	REAL300002897171	0	58	0.0	-100.72	444.71	12.36	-88.36
CCC[N@H+](C)CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897185	0	51	0.0	-80.07	383.29	9.46	-70.61
CCC[N@@H+](C)CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897185	1	51	0.0	-75.06	383.03	9.48	-65.58
C[N@H+](CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)C1CCC1	REAL300002897205	0	52	0.0	-77.58	390.16	10.03	-67.55
C[N@@H+](CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)C1CCC1	REAL300002897205	1	52	0.0	-77.32	390.30	10.04	-67.28
C[N@H+](CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)CC(C)(C)C	REAL300002897222	0	57	0.0	-79.43	412.76	10.46	-68.97
C[N@@H+](CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)CC(C)(C)C	REAL300002897222	1	57	0.0	-79.35	414.62	10.64	-68.71
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897224	0	58	0.0	-79.75	443.20	12.48	-67.27
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897224	1	58	0.0	-82.68	443.20	12.47	-70.21
CC[C@@H](C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)[NH+](C)C	REAL300002897227	0	51	0.0	-74.42	374.66	9.08	-65.34
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002897229	0	56	0.0	-73.06	404.67	8.11	-64.95
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002897229	1	56	0.0	-77.60	401.78	8.23	-69.37
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897249	0	60	0.0	-81.24	447.79	11.79	-69.45
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897249	1	60	0.0	-81.07	447.79	11.79	-69.28
O=C([O-])C1=CC(NC(=O)C23CCC[NH+]2CCC3)=CC=C1N1CCCCC1	REAL300002897260	0	53	0.0	-86.43	388.30	9.99	-76.44
O=C([O-])C1=CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=CC=C1N1CCCCC1	REAL300002897268	1	47	0.0	-93.08	374.53	11.55	-81.53
C[N@H+](CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)C1CCSC1	REAL300002897278	0	53	0.0	-85.66	403.55	10.27	-75.39
C[N@@H+](CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)C1CCSC1	REAL300002897278	1	53	0.0	-82.26	403.33	10.29	-71.97
O=C([O-])C1=CC(NC(=O)C2CCCC3CCC[N@@H+]32)=CC=C1N1CCCCC1	REAL300002897293	0	56	0.0	-70.81	400.32	10.61	-60.20
O=C([O-])C1=CC(NC(=O)C2CCCC3CCC[N@H+]32)=CC=C1N1CCCCC1	REAL300002897293	1	56	0.0	-67.67	408.71	10.87	-56.80
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C=N1	REAL300002897294	0	55	0.0	-93.92	428.38	9.55	-84.37
CCCC(C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)[NH+](C)C	REAL300002897319	0	54	0.0	-78.71	394.70	9.82	-68.89
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)=N1	REAL300002897331	0	55	0.0	-102.62	428.76	9.56	-93.06
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897332	0	55	0.0	-96.22	414.59	9.97	-86.25
C[C@@H]1[C@H](C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CC[N@@H+]1C	REAL300002897335	0	52	0.0	-87.73	381.62	9.19	-78.54
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CC[N@@H+]1CCOC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002897387	1	53	0.0	-70.59	391.81	8.89	-61.70
CC[N@H+]1CCOC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002897387	1	53	0.0	-70.63	391.81	8.88	-61.75
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CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897439	0	59	0.0	-80.95	424.78	9.12	-71.83
CC[NH+](CC)CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897454	0	51	0.0	-78.09	375.58	9.13	-68.96
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CC1	REAL300002897456	0	58	0.0	-76.21	422.74	10.88	-65.33
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C[NH+](C)C1(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CCC1	REAL300002897605	0	52	0.0	-74.24	378.44	9.06	-65.18
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CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897639	1	56	0.0	-77.48	429.48	11.20	-66.28
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CC[N@H+](CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)C1CC1	REAL300002897646	0	52	0.0	-77.04	393.27	10.09	-66.95
CC[N@@H+](CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)C1CC1	REAL300002897646	1	52	0.0	-78.12	390.42	10.06	-68.06
CC(C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)[NH+]1CCCCCC1	REAL300002897661	0	58	0.0	-76.25	413.53	10.48	-65.77
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897664	0	49	0.0	-77.39	370.03	9.06	-68.33
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897664	1	49	0.0	-75.44	364.06	8.60	-66.84
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897718	0	51	0.0	-78.09	383.02	7.77	-70.32
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)O1	REAL300002897719	0	58	0.0	-93.81	439.84	10.95	-82.86
O=C([O-])C1=CC(NC(=O)CCCC[NH+]2CCCC2)=CC=C1N1CCCCC1	REAL300002897720	0	58	0.0	-86.28	435.39	11.36	-74.92
C[N@H+](CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002897722	1	55	0.0	-84.95	420.72	11.64	-73.31
C[N@@H+](CC(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002897722	1	55	0.0	-84.56	420.77	11.64	-72.92
CC(C)[C@@H](C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)[NH+](C)C	REAL300002897730	0	54	0.0	-81.06	392.06	10.18	-70.88
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)=NO1	REAL300002897763	1	51	0.0	-91.46	402.16	9.01	-82.45
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897774	0	55	0.0	-69.54	406.12	10.23	-59.31
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897774	1	55	0.0	-82.09	395.99	10.04	-72.05
C[NH+]1CCC(OCC(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CC1	REAL300002897791	0	56	0.0	-94.27	424.02	10.06	-84.21
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002897917	0	58	0.0	-71.41	421.83	11.26	-60.15
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002897917	1	58	0.0	-75.59	428.09	11.05	-64.54
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897937	0	58	0.0	-82.31	417.45	11.09	-71.22
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300002897937	1	58	0.0	-70.67	428.38	11.12	-59.55
O=C([O-])C1=CC(NC(=O)C[NH+]2CCC(CO)CC2)=CC=C1N1CCCCC1	REAL300002897938	1	56	0.0	-82.36	417.69	7.23	-75.13
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002898102	0	58	0.0	-73.72	423.23	10.82	-62.90
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002898102	1	58	0.0	-69.37	416.48	11.02	-58.35
C[N@@H+]1CC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300002898103	0	52	0.0	-85.29	408.00	9.78	-75.51
C[N@H+]1CC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300002898103	1	52	0.0	-83.64	400.52	9.70	-73.94
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)N1	REAL300002898123	1	53	0.0	-78.26	414.30	9.33	-68.93
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)=C1	REAL300002898461	0	58	0.0	-90.32	444.72	12.36	-77.96
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002898567	0	52	0.0	-78.75	393.79	9.77	-68.98
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CC1	REAL300002898571	0	58	0.0	-75.83	415.89	10.73	-65.10
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002898623	0	61	0.0	-74.97	445.52	11.73	-63.24
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002898623	1	61	0.0	-74.97	445.52	11.73	-63.24
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002898624	0	55	0.0	-70.22	399.83	10.50	-59.72
CC[N@H+]1CCCC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002898624	1	55	0.0	-70.22	399.83	10.50	-59.72
C[N@@H+]1CCCC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002898629	0	52	0.0	-77.39	388.43	9.65	-67.74
C[N@H+]1CCCC(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002898629	1	52	0.0	-77.39	388.43	9.65	-67.74
CN(C)CC1=CC=C(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)O1	REAL300002898631	0	52	0.0	-96.00	407.55	9.76	-86.24
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)O1	REAL300002898631	1	52	0.0	-96.00	407.55	9.76	-86.24
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002898637	0	61	0.0	-88.21	433.82	11.18	-77.03
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300002898637	1	61	0.0	-88.21	433.82	11.18	-77.03
O=C([O-])C1=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=CC=C1N1CCCCC1	REAL300002898640	0	54	0.0	-71.05	401.07	11.16	-59.89
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)C1	REAL300002898769	0	55	0.0	-47.08	384.05	8.75	-38.33
CC1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)[C@@H]2COC[C@@H]21	REAL300002898852	0	48	0.0	-44.25	340.76	6.56	-37.69
CC1(C)CC(C2=CC=CC=C2)N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002898951	0	53	0.0	-47.15	398.72	11.91	-35.24
CC1(C)CC(C2=CC=CC=C2)N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002898951	1	53	0.0	-47.15	398.72	11.91	-35.24
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC(F)=C3)CCC2)C1	REAL300002899057	0	47	0.0	-48.12	352.98	8.93	-39.19
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC(F)=C3)CCC2)C1	REAL300002899057	1	47	0.0	-50.60	354.25	9.47	-41.13
COC1=CC=CC=C1C1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002899160	0	48	0.0	-46.50	364.68	8.00	-38.50
COC1=CC=CC=C1C1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002899160	1	48	0.0	-47.44	370.83	7.99	-39.45
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC(C1CCC1)C1CCCC1	REAL300002899265	0	53	0.0	-45.57	372.32	10.13	-35.44
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC(C1CCC1)C1CCCC1	REAL300002899265	1	53	0.0	-46.77	381.22	10.51	-36.26
CC1=CC=CC(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2)=C1	REAL300002899371	0	50	0.0	-49.35	369.26	10.07	-39.28
CC1=CC=CC(C2(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2)=C1	REAL300002899371	1	50	0.0	-45.64	367.93	9.52	-36.12
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC=C3F)CCC2)C1	REAL300002899473	0	47	0.0	-47.49	346.52	8.57	-38.92
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC=C3F)CCC2)C1	REAL300002899473	1	47	0.0	-50.96	353.55	8.98	-41.98
CC1=CC=CC=C1C1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002899552	0	47	0.0	-49.41	353.44	9.19	-40.22
CC1=CC=CC=C1C1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002899552	1	47	0.0	-44.92	351.33	8.58	-36.34
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2CCCOC2)C1	REAL300002899644	0	51	0.0	-44.42	358.17	8.15	-36.27
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2CCCOC2)C1	REAL300002899644	1	51	0.0	-49.43	359.83	8.60	-40.83
CCCC1=NOC(CC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=N1	REAL300002899754	0	57	0.0	-49.89	428.73	8.99	-40.90
CCCC1=NOC(CC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=N1	REAL300002899754	1	57	0.0	-47.54	421.26	8.53	-39.01
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3CCOCC3)CC2)C1	REAL300002899876	0	54	0.0	-44.73	375.82	8.25	-36.48
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3CCOCC3)CC2)C1	REAL300002899876	1	54	0.0	-48.02	383.29	8.71	-39.31
O=C([O-])C1CCC[N@H+](CC(=O)N2CC[C@H](OC3=CC=CC=C3)C2)C1	REAL300002900050	0	48	0.0	-50.94	368.05	9.23	-41.71
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC[C@H](OC3=CC=CC=C3)C2)C1	REAL300002900050	1	48	0.0	-49.57	369.29	9.25	-40.32
CC1(C)CCCC1C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002900174	0	56	0.0	-46.38	388.69	10.68	-35.70
CC1(C)CCCC1C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002900174	1	56	0.0	-42.56	386.55	10.23	-32.33
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=CC(F)=C3F)CC2)C1	REAL300002900301	0	50	0.0	-48.55	375.84	10.58	-37.97
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=CC(F)=C3F)CC2)C1	REAL300002900301	1	50	0.0	-52.21	383.25	11.03	-41.18
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1F	REAL300002900425	0	43	0.0	-52.41	353.83	9.01	-43.40
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1F	REAL300002900425	1	43	0.0	-51.20	353.83	8.99	-42.21
CCC(C)CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002901532	0	55	0.0	-74.31	414.17	11.01	-63.30
CCC(C)CC(NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C(=O)[O-]	REAL300002902830	1	47	0.0	-61.49	361.46	8.65	-52.84
CCC(C)CC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300002902882	1	54	0.0	-74.31	421.89	8.82	-65.49
CCC(C)CC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002902947	0	58	0.0	-78.72	447.56	10.58	-68.14
CCC(C)CC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002902953	0	58	0.0	-78.87	448.35	12.90	-65.97
CCC(C)CC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300002902953	1	58	0.0	-78.36	448.22	12.91	-65.45
CCC(C)CC(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300002903022	0	54	0.0	-76.73	379.05	9.08	-67.65
CCC(C)CC(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002903024	0	54	0.0	-66.12	391.65	9.48	-56.64
CCC(C)CC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300002903024	1	54	0.0	-65.99	391.90	9.43	-56.56
CCC(C)CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300002903082	0	48	0.0	-78.95	382.51	8.48	-70.47
CCC(C)CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300002903101	0	56	0.0	-77.67	405.07	8.11	-69.56
CCC(C)CC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300002903125	1	52	0.0	-74.14	391.63	7.42	-66.72
CCC(C)CC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002903126	0	57	0.0	-77.61	410.85	10.50	-67.11
CCC(C)CC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300002903126	1	57	0.0	-80.63	412.67	10.78	-69.85
CCC(C)CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002903143	0	52	0.0	-66.56	396.48	10.22	-56.34
CCC(C)CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002903143	1	52	0.0	-66.77	396.50	10.25	-56.52
CCC(C)CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300002903144	0	53	0.0	-73.14	393.18	9.47	-63.67
CCC(C)CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300002903167	0	56	0.0	-67.30	390.67	7.73	-59.57
CCC(C)CC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002903170	0	51	0.0	-57.33	388.10	9.87	-47.46
CCC(C)CC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002903170	1	51	0.0	-57.18	387.63	9.86	-47.32
CCC(C)CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002903178	0	58	0.0	-56.55	429.97	12.14	-44.41
CCC(C)CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002903178	1	58	0.0	-55.77	428.55	12.12	-43.65
CCC(C)CC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300002903195	0	47	0.0	-75.59	366.47	7.51	-68.08
CCC[NH+](CCC)CCCC(=O)NC(CC(C)CC)C(=O)[O-]	REAL300002903202	0	56	0.0	-68.38	410.61	9.80	-58.58
CCC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300002903220	0	52	0.0	-79.80	394.61	10.45	-69.35
CCC(C)CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300002903225	0	55	0.0	-73.08	412.96	11.25	-61.83
CCC(C)CC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300002903231	0	63	0.0	-69.83	447.98	8.84	-60.99
CCC(C)CC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300002903238	1	59	0.0	-84.20	445.51	10.26	-73.94
CCC(C)CC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002903247	1	56	0.0	-78.32	420.55	10.30	-68.02
CCC(C)CC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002903247	1	56	0.0	-78.94	427.78	10.37	-68.57
CCC(C)CC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002903261	1	46	0.0	-79.82	367.52	7.71	-72.11
CCC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300002903264	0	55	0.0	-80.75	411.93	11.18	-69.57
CCC(C)CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300002903275	1	48	0.0	-77.50	376.65	8.01	-69.49
CCC(C)CC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002903276	0	51	0.0	-85.36	393.17	10.21	-75.15
CCC(C)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002903280	1	53	0.0	-73.28	390.79	10.33	-62.95
CCC(C)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300002903280	1	53	0.0	-73.31	391.06	10.33	-62.98
CCC(C)CC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002903289	0	61	0.0	-56.13	445.97	12.25	-43.88
CCC(C)CC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002903319	0	51	0.0	-61.22	391.72	10.35	-50.87
CCC(C)CC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300002903319	1	51	0.0	-62.05	392.49	10.27	-51.78
CCC(C)CC(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300002903320	0	55	0.0	-66.40	421.54	6.46	-59.94
CCC(C)CC(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300002903320	1	55	0.0	-66.54	421.49	6.44	-60.10
CCC(C)CC(NC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300002903323	0	49	0.0	-67.36	349.96	6.15	-61.21
CCC(C)CC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300002903323	1	49	0.0	-59.25	353.71	5.97	-53.28
CCC(C)CC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002903328	0	60	0.0	-72.07	446.82	10.02	-62.05
CCCCCC[N@H+](C)CC(=O)NC(CC(C)CC)C(=O)[O-]	REAL300002903329	0	53	0.0	-60.31	397.08	9.59	-50.72
CCCCCC[N@@H+](C)CC(=O)NC(CC(C)CC)C(=O)[O-]	REAL300002903329	1	53	0.0	-59.52	396.31	9.68	-49.84
CCC(C)CC(NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300002903351	0	46	0.0	-61.09	354.11	8.05	-53.04
CCC(C)CC(NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300002903351	1	46	0.0	-60.63	352.08	8.15	-52.48
CCC(C)CC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002903361	0	56	0.0	-70.90	408.46	7.07	-63.83
CCC(C)CC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002903361	1	56	0.0	-65.56	405.02	6.81	-58.75
CCC(C)CC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300002903362	0	59	0.0	-69.61	430.33	7.80	-61.81
CCC(C)CC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300002903362	1	59	0.0	-68.04	425.69	7.65	-60.39
CCC(C)CC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300002903364	0	48	0.0	-78.76	377.67	7.32	-71.44
CCC(C)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300002903367	0	60	0.0	-69.27	447.56	9.84	-59.43
CCC(C)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002903369	0	57	0.0	-69.08	426.16	9.17	-59.91
CCC(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002903372	0	54	0.0	-65.58	402.22	9.51	-56.07
CCC(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300002903372	1	54	0.0	-65.90	401.82	9.50	-56.40
CCC(C)CC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002903377	1	52	0.0	-60.22	388.39	10.40	-49.82
CCC(C)CC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300002903377	1	52	0.0	-57.48	388.81	10.38	-47.10
CCC(C)CC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002903396	0	55	0.0	-73.82	418.53	11.06	-62.76
CCC(C)CC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002903396	1	55	0.0	-72.56	416.30	11.00	-61.56
CCC(C)CC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002903407	0	48	0.0	-87.06	377.92	7.41	-79.65
CCC(C)CC(NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300002903408	0	48	0.0	-56.94	368.14	8.08	-48.86
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(C)CC)C(=O)[O-]	REAL300002903409	1	49	0.0	-61.53	379.31	9.05	-52.48
CCC(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002903420	0	55	0.0	-65.40	413.70	11.34	-54.06
CCC(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300002903420	1	55	0.0	-68.80	420.63	11.16	-57.64
CCC(C)CC(NC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300002903424	0	49	0.0	-65.93	364.67	6.57	-59.36
CCC(C)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300002903425	0	56	0.0	-67.58	423.05	8.63	-58.95
CCC(C)CC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300002903461	1	55	0.0	-79.31	410.66	9.33	-69.98
CCC(C)CC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002903462	0	55	0.0	-65.20	398.72	9.83	-55.37
CCC(C)CC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300002903462	1	55	0.0	-66.19	398.37	9.76	-56.43
CCC(C)CC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300002903487	0	57	0.0	-72.16	430.32	8.74	-63.42
CCC(C)CC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300002903488	0	57	0.0	-78.65	429.25	8.56	-70.09
CCC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300002903488	1	57	0.0	-81.98	429.59	8.63	-73.35
CCC(C)CC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300002903489	0	58	0.0	-80.11	436.50	10.47	-69.64
CCC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300002903567	0	59	0.0	-84.29	443.91	8.54	-75.75
CCC(C)CC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300002903571	0	48	0.0	-76.19	371.39	9.40	-66.79
CCC(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002903572	0	55	0.0	-65.82	414.51	11.06	-54.76
CCC(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300002903572	1	55	0.0	-65.77	414.56	11.01	-54.76
CCC(C)CC(NC(=O)CCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300002903613	0	53	0.0	-70.82	390.56	6.39	-64.43
CCC(C)CC(NC(=O)CC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300002903613	1	53	0.0	-64.06	391.13	6.53	-57.53
CCC(C)CC(NC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300002903619	1	49	0.0	-59.96	377.96	9.03	-50.93
CCC(C)CC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002903665	1	53	0.0	-81.42	405.53	9.84	-71.58
CCC(C)CC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300002903665	1	53	0.0	-81.40	406.51	9.75	-71.65
CCC(C)CC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300002903705	0	51	0.0	-74.67	389.19	8.75	-65.92
CCC(C)CC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300002903706	1	54	0.0	-71.52	407.53	8.92	-62.60
CCC(C)CC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002903707	1	48	0.0	-62.45	370.02	9.43	-53.02
CCC(C)CC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300002903707	1	48	0.0	-61.52	369.25	9.51	-52.01
CCC(C)CC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300002903710	0	60	0.0	-81.52	439.52	9.70	-71.82
CCC(C)CC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300002903719	1	43	0.0	-77.63	352.66	7.27	-70.36
CCC(C)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002903746	0	55	0.0	-66.40	409.32	10.69	-55.71
CCC(C)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300002903746	1	55	0.0	-75.69	417.95	10.89	-64.80
CCC(C)CC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002903763	0	56	0.0	-82.99	435.87	10.33	-72.66
CCC(C)CC(NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300002903774	0	49	0.0	-78.38	373.44	7.92	-70.46
CCC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300002903778	0	52	0.0	-77.43	398.57	9.43	-68.00
CCC(C)CC(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300002903924	1	49	0.0	-59.45	366.91	5.08	-54.37
CCC(C)CC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002904079	0	45	0.0	-68.12	357.65	7.59	-60.53
CCC(C)CC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300002904079	1	45	0.0	-78.82	357.07	7.63	-71.19
CCC(C)CC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300002904420	0	51	0.0	-78.72	393.89	10.23	-68.49
CCC(C)CC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300002904425	0	52	0.0	-81.61	401.29	9.12	-72.49
CCC(C)CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300002904497	0	58	0.0	-69.42	433.06	11.77	-57.65
CCC(C)CC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002904499	1	56	0.0	-83.85	418.63	9.56	-74.29
CCC(C)CC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300002904499	1	56	0.0	-84.37	418.70	9.56	-74.81
CCC(C)CC(NC(=O)C1=CN2C(=C[NH+]=C2C)C=C1)C(=O)[O-]	REAL300002904522	0	43	0.0	-66.00	345.07	9.11	-56.89
CCC(C)CC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300002904559	0	54	0.0	-58.17	387.44	9.79	-48.38
CCC(C)CC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300002904559	1	54	0.0	-58.50	388.05	9.82	-48.68
CC1=CC=C(CN(CC2CC2)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300002904650	0	52	0.0	-48.01	397.47	10.55	-37.46
CC1=CC=C(CN(CC2CC2)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300002904650	1	52	0.0	-44.93	390.69	10.54	-34.39
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=CN=C3)C2)C1	REAL300002904794	0	46	0.0	-46.96	345.01	7.93	-39.03
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=CN=C3)C2)C1	REAL300002904794	1	46	0.0	-47.38	345.46	7.96	-39.42
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002904835	1	47	0.0	-73.74	348.07	7.33	-66.41
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300002904836	1	51	0.0	-81.61	379.00	7.60	-74.01
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300002904837	1	47	0.0	-80.12	350.38	7.40	-72.72
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])S2)CC1	REAL300002904838	1	44	0.0	-66.99	341.25	6.47	-60.52
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300002904839	1	46	0.0	-51.72	345.31	6.45	-45.27
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC=C2SC(C)C(=O)[O-])CC1	REAL300002904840	1	54	0.0	-82.05	401.99	9.09	-72.96
CCOC1=CC(C(=O)N2CC[NH+](C(C)(C)COC)CC2)=CC=C1OCC(=O)[O-]	REAL300002904841	1	58	0.0	-78.73	432.45	8.37	-70.36
COCC(C)(C)[NH+]1CCN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002904842	0	53	0.0	-78.49	396.24	9.22	-69.27
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=NC(C(=O)[O-])=C2)CC1	REAL300002904843	1	46	0.0	-85.08	345.13	5.59	-79.49
COCC(C)(C)[NH+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002904844	0	51	0.0	-79.35	383.55	8.90	-70.45
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300002904845	1	49	0.0	-58.92	376.21	8.00	-50.92
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300002904846	1	49	0.0	-58.92	376.21	8.00	-50.92
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300002904847	1	54	0.0	-71.06	405.55	8.49	-62.57
COCC(C)(C)[NH+]1CCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC1	REAL300002904848	0	53	0.0	-65.73	387.62	8.99	-56.74
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)CC1	REAL300002904849	1	57	0.0	-76.19	422.47	9.12	-67.07
COCC(C)(C)[NH+]1CCN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300002904850	0	50	0.0	-85.16	374.83	8.42	-76.74
COCC(C)(C)[NH+]1CCN(C(=O)C2CCCC(C(=O)[O-])C2)CC1	REAL300002904851	1	53	0.0	-80.83	374.64	7.78	-73.05
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CC1	REAL300002904852	1	46	0.0	-73.11	343.77	5.44	-67.67
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300002904853	1	46	0.0	-61.24	344.50	6.46	-54.78
COCC(C)(C)[NH+]1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC1	REAL300002904854	0	52	0.0	-73.35	359.29	7.17	-66.18
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)CC1	REAL300002904855	1	47	0.0	-71.95	356.40	7.45	-64.50
COCC(C)(C)[NH+]1CCN(C(=O)C2=CN=C(C(=O)[O-])C=N2)CC1	REAL300002904856	1	45	0.0	-64.82	340.01	4.61	-60.21
COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300002904857	1	53	0.0	-72.98	374.91	7.79	-65.19
COCC(C)(C)[NH+]1CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC1	REAL300002904858	1	53	0.0	-80.86	366.18	7.55	-73.31
COCC(C)(C)[NH+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002904859	0	50	0.0	-87.91	374.83	8.43	-79.48
COCC(C)(C)[NH+]1CCN(C(=O)CN2C=C(C(=O)[O-])N=N2)CC1	REAL300002904860	0	46	0.0	-89.27	351.96	4.36	-84.91
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C(C)=N2)CC1	REAL300002904861	1	49	0.0	-61.94	361.09	6.93	-55.01
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300002904862	1	47	0.0	-76.07	369.50	7.93	-68.14
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002904863	1	47	0.0	-73.74	348.07	7.33	-66.41
COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300002904864	1	50	0.0	-81.81	355.06	7.10	-74.71
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300002904865	1	50	0.0	-79.48	370.09	8.09	-71.39
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC1	REAL300002904866	0	57	0.0	-77.09	414.33	11.40	-65.69
COCC(C)(C)[NH+]1CCN(C(=O)C2=C(CC(=O)[O-])OC=C2)CC1	REAL300002904867	1	47	0.0	-77.83	352.58	6.41	-71.42
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC=N2)CC1	REAL300002904868	1	46	0.0	-71.43	344.68	6.49	-64.94
COCC(C)(C)[NH+]1CCN(C(=O)C23CC(C(=O)[O-])(C2)C3)CC1	REAL300002904869	1	48	0.0	-71.62	348.08	7.09	-64.53
COCC(C)(C)[NH+]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)CC1	REAL300002904870	0	56	0.0	-68.39	386.59	8.42	-59.97
COCC(C)(C)[NH+]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1	REAL300002904871	1	54	0.0	-84.76	376.32	7.80	-76.96
COCC(C)(C)[NH+]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300002904872	1	57	0.0	-77.27	385.15	8.05	-69.22
COCC(C)(C)[NH+]1CCN(C(=O)CC(C)(C)CC(=O)[O-])CC1	REAL300002904873	0	52	0.0	-73.35	359.29	7.17	-66.18
COCC(C)(C)[NH+]1CCN(C(=O)CC(C)CC(=O)[O-])CC1	REAL300002904874	0	49	0.0	-75.14	349.56	6.81	-68.33
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC1	REAL300002904875	1	49	0.0	-86.87	378.22	6.40	-80.47
COCC(C)(C)[NH+]1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300002904876	1	54	0.0	-73.03	401.31	8.56	-64.47
COCC(C)(C)[NH+]1CCN(C(=O)C2(C(=O)[O-])CCCC2)CC1	REAL300002904877	1	50	0.0	-47.74	343.57	6.72	-41.02
COCC(C)(C)[NH+]1CCN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300002904878	0	60	0.0	-68.74	429.07	10.65	-58.09
COCC(C)(C)[NH+]1CCN(C(=O)C2=C(C)OC(C(=O)[O-])=C2)CC1	REAL300002904879	1	47	0.0	-64.93	353.62	6.61	-58.32
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C)=C(C(=O)[O-])O2)CC1	REAL300002904880	1	47	0.0	-57.87	351.62	6.72	-51.15
COCC(C)(C)[NH+]1CCN(C(=O)CN2C=C(C(=O)[O-])C=N2)CC1	REAL300002904881	0	47	0.0	-84.64	356.87	5.85	-78.79
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)CC1	REAL300002904882	1	48	0.0	-62.37	366.85	7.35	-55.02
COCC(C)(C)[NH+]1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300002904883	1	54	0.0	-52.29	376.70	7.93	-44.36
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300002904884	1	51	0.0	-73.52	380.52	7.66	-65.86
COCC(C)(C)[NH+]1CCN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300002904885	1	56	0.0	-84.75	417.61	8.25	-76.50
COCC(C)(C)[NH+]1CCN(C(=O)CCSCC(=O)[O-])CC1	REAL300002904886	0	47	0.0	-71.26	360.00	6.92	-64.34
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300002904887	1	46	0.0	-61.24	344.50	6.46	-54.78
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=NN2C)CC1	REAL300002904888	1	47	0.0	-69.29	348.76	5.08	-64.21
COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1	REAL300002904889	1	51	0.0	-80.49	368.93	7.08	-73.41
COCC(C)(C)[NH+]1CCN(C(=O)C(C)(C)CCC(=O)[O-])CC1	REAL300002904890	1	52	0.0	-80.21	359.29	6.70	-73.51
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300002904891	1	50	0.0	-66.51	371.65	8.15	-58.36
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC1	REAL300002904892	1	51	0.0	-78.43	381.61	8.66	-69.77
COCC(C)(C)[NH+]1CCN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)CC1	REAL300002904893	0	48	0.0	-75.34	368.07	7.16	-68.18
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC=C2CCC(=O)[O-])CC1	REAL300002904894	1	53	0.0	-71.88	388.88	8.82	-63.06
COCC(C)(C)[NH+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)CC1	REAL300002904895	0	48	0.0	-67.57	369.68	7.50	-60.07
COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300002904896	1	50	0.0	-81.81	355.06	7.10	-74.71
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C)C(C(=O)[O-])=C2)CC1	REAL300002904897	1	50	0.0	-83.36	363.73	7.87	-75.49
COCC(C)(C)[NH+]1CCN(C(=O)C2=CN=CC(C(=O)[O-])=C2)CC1	REAL300002904898	1	46	0.0	-75.81	343.06	5.43	-70.38
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=CN=C2C)CC1	REAL300002904899	1	49	0.0	-61.42	363.16	6.19	-55.23
COCC(C)(C)[NH+]1CCN(C(=O)CN2C=CC(C(=O)[O-])=N2)CC1	REAL300002904900	0	47	0.0	-96.62	356.23	5.87	-90.75
COCC(C)(C)[NH+]1CCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)CC1	REAL300002904901	0	53	0.0	-95.17	399.86	7.27	-87.90
COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	REAL300002904902	1	54	0.0	-84.58	390.31	7.50	-77.08
COCC(C)(C)[NH+]1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1	REAL300002904903	0	54	0.0	-74.17	392.30	6.55	-67.62
COCC(C)(C)[NH+]1CCN(C(=O)C2=C(C)C=C(C(=O)[O-])O2)CC1	REAL300002904904	1	47	0.0	-58.07	351.46	6.81	-51.26
COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC1	REAL300002904905	1	55	0.0	-69.07	372.72	9.00	-60.07
COCC(C)(C)[NH+]1CCN(C(=O)C(C(=O)[O-])C(C)C)CC1	REAL300002904906	0	49	0.0	-44.86	338.72	6.44	-38.42
COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300002904907	1	53	0.0	-62.75	363.69	8.14	-54.61
COCC(C)(C)N1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002904908	0	55	0.0	-47.66	390.50	5.88	-41.78
COCC(C)(C)N1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002904908	1	55	0.0	-44.28	383.02	5.43	-38.85
COCC(C)(C)[NH+]1CCN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC1	REAL300002904909	1	54	0.0	-64.91	397.47	9.33	-55.58
COCC(C)(C)[NH+]1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300002904910	1	54	0.0	-73.03	401.31	8.56	-64.47
COCC(C)(C)[NH+]1CCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300002904911	0	54	0.0	-97.09	408.18	9.82	-87.27
COCC(C)(C)[NH+]1CCN(C(=O)C2CC3(CC3C(=O)[O-])C2)CC1	REAL300002904912	1	51	0.0	-83.40	372.22	8.06	-75.34
COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)CC1	REAL300002904913	1	53	0.0	-82.00	379.02	8.81	-73.19
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC=C2C)CC1	REAL300002904914	1	50	0.0	-63.73	369.03	8.06	-55.67
COCC(C)(C)[NH+]1CCN(C(=O)C2CC(C)(C(=O)[O-])C2)CC1	REAL300002904915	1	50	0.0	-61.81	359.22	7.14	-54.67
COCC(C)(C)[NH+]1CCN(C(=O)C2=C(C(=O)[O-])SC=C2)CC1	REAL300002904916	1	44	0.0	-73.53	338.36	7.32	-66.21
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=NN2)CC1	REAL300002904917	1	44	0.0	-79.10	330.64	4.17	-74.93
COCC(C)(C)[NH+]1CCN(C(=O)C2=CN=CC(C(=O)[O-])=C2C)CC1	REAL300002904918	1	49	0.0	-70.46	358.25	6.05	-64.41
CCCC(C(=O)[O-])C(=O)N1CC[NH+](C(C)(C)COC)CC1	REAL300002904919	0	49	0.0	-75.88	354.03	7.34	-68.54
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300002904920	1	50	0.0	-72.68	367.90	8.02	-64.66
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC1	REAL300002904921	1	47	0.0	-71.35	364.84	7.87	-63.48
COCC(C)(C)[NH+]1CCN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC1	REAL300002904922	1	54	0.0	-77.72	389.95	8.52	-69.20
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=N2)CC1	REAL300002904923	1	50	0.0	-50.34	375.03	5.78	-44.56
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])N2C)CC1	REAL300002904924	1	48	0.0	-74.07	349.13	6.61	-67.46
COCC(C)(C)[NH+]1CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1	REAL300002904925	1	48	0.0	-54.09	341.04	6.70	-47.39
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC1	REAL300002904926	1	53	0.0	-72.37	393.05	8.96	-63.41
COCC(C)(C)[NH+]1CCN(C(=O)C2=C(C(=O)[O-])C(C)=NN2)CC1	REAL300002904927	1	47	0.0	-74.53	345.72	5.45	-69.08
COCC(C)(C)[NH+]1CCN(C(=O)CC2(CC(=O)[O-])CC2)CC1	REAL300002904928	0	50	0.0	-61.36	360.17	7.42	-53.94
COCC(C)(C)[NH+]1CCN(C(=O)C2=CSC(C(=O)[O-])=N2)CC1	REAL300002904929	1	43	0.0	-51.55	336.90	5.38	-46.17
COCC(C)(C)[NH+]1CCN(C(=O)C2=C(C)SC(C(=O)[O-])=C2)CC1	REAL300002904930	1	47	0.0	-62.16	361.08	7.23	-54.93
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=C2Cl)CC1	REAL300002904932	1	51	0.0	-73.64	389.55	7.02	-66.62
COCC(C)(C)[NH+]1CCN(C(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)CC1	REAL300002904933	1	50	0.0	-62.22	374.48	8.01	-54.21
COCC(C)(C)[NH+]1CCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])CC1	REAL300002904935	0	52	0.0	-70.90	383.78	7.22	-63.68
COCC(C)(C)[NH+]1CCN(C(=O)C23CC(C(=O)[O-])(C2)CO3)CC1	REAL300002904936	1	49	0.0	-67.16	357.92	5.54	-61.62
COCC(C)(C)[NH+]1CCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002904937	0	51	0.0	-79.35	383.56	8.90	-70.45
COCC(C)(C)[NH+]1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300002904938	1	54	0.0	-52.29	376.70	7.93	-44.36
COCC(C)(C)[NH+]1CCN(C(=O)C2=C(C(=O)[O-])C=NN2C)CC1	REAL300002904939	1	47	0.0	-71.79	356.71	5.06	-66.73
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300002904940	1	48	0.0	-61.38	372.05	6.93	-54.45
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300002904941	1	48	0.0	-76.19	372.28	7.05	-69.14
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC1	REAL300002904942	1	48	0.0	-63.77	363.39	6.07	-57.70
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2C)CC1	REAL300002904943	1	50	0.0	-76.03	363.16	7.92	-68.11
COCC(C)(C)[NH+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300002904944	0	50	0.0	-79.84	379.31	7.13	-72.71
C=C1CCC1(C(=O)[O-])C(=O)N1CC[NH+](C(C)(C)COC)CC1	REAL300002904945	1	48	0.0	-56.08	345.01	6.65	-49.43
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300002904946	1	44	0.0	-80.75	340.16	6.33	-74.42
COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC1	REAL300002904947	1	52	0.0	-67.85	369.43	6.06	-61.79
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300002904948	0	53	0.0	-77.93	390.07	9.49	-68.44
COCC(C)(C)[NH+]1CCN(C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])CC1	REAL300002904949	1	53	0.0	-55.12	373.83	7.35	-47.77
COCC(C)(C)[NH+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300002904950	0	53	0.0	-89.82	391.53	8.90	-80.92
COCC(C)(C)[NH+]1CCN(C(=O)CC2=CC(C(=O)[O-])=CS2)CC1	REAL300002904951	0	47	0.0	-83.12	366.35	7.55	-75.57
COCC(C)(C)[NH+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC1	REAL300002904952	0	50	0.0	-91.29	379.38	8.45	-82.84
COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC1	REAL300002904953	1	50	0.0	-67.48	355.97	7.22	-60.26
COCC(C)(C)[NH+]1CCN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC1	REAL300002904954	1	54	0.0	-67.12	399.12	8.91	-58.21
COCC(C)(C)[NH+]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300002904955	1	57	0.0	-77.27	385.15	8.05	-69.22
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=NC4=C(CCCC4)S3)CC2)C1	REAL300002905019	0	56	0.0	-46.34	416.35	10.33	-36.01
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=NC4=C(CCCC4)S3)CC2)C1	REAL300002905019	1	56	0.0	-50.28	422.92	10.77	-39.51
O=C([O-])C1=CC=C(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)C=C1	REAL300002905056	0	48	0.0	-79.89	370.15	11.03	-68.86
O=C([O-])C1=CC=C(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)C=C1	REAL300002905056	1	48	0.0	-78.39	367.96	10.85	-67.54
O=C([O-])COC1=CC=CC(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=C1	REAL300002905057	0	52	0.0	-92.58	402.47	11.40	-81.18
O=C([O-])COC1=CC=CC(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=C1	REAL300002905057	1	52	0.0	-83.40	399.12	11.08	-72.32
O=C([O-])C1=CC=CC(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=C1	REAL300002905058	0	48	0.0	-66.78	370.25	11.04	-55.74
O=C([O-])C1=CC=CC(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=C1	REAL300002905058	1	48	0.0	-86.44	368.28	10.79	-75.65
O=C([O-])C1=CC=C(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)S1	REAL300002905059	0	45	0.0	-74.04	364.83	10.36	-63.68
O=C([O-])C1=CC=C(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)S1	REAL300002905059	1	45	0.0	-72.98	358.75	10.03	-62.95
O=C([O-])C1=CC=CC(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=N1	REAL300002905060	0	47	0.0	-64.56	370.72	10.19	-54.37
O=C([O-])C1=CC=CC(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=N1	REAL300002905060	1	47	0.0	-64.06	366.03	9.93	-54.13
O=C([O-])C1=CC=C(CCC(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)C=C1	REAL300002905061	0	54	0.0	-81.33	422.34	13.05	-68.28
O=C([O-])C1=CC=C(CCC(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)C=C1	REAL300002905061	1	54	0.0	-80.28	415.94	12.68	-67.60
O=C([O-])C1=CC(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=CC=N1	REAL300002905062	0	47	0.0	-70.89	366.11	9.30	-61.59
O=C([O-])C1=CC(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=CC=N1	REAL300002905062	1	47	0.0	-70.56	362.89	9.00	-61.56
O=C([O-])C1=CC=C(C=CC(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)C=C1	REAL300002905063	0	52	0.0	-81.31	410.21	12.71	-68.60
O=C([O-])C1=CC=C(C=CC(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)C=C1	REAL300002905063	1	52	0.0	-80.20	405.72	12.39	-67.81
O=C([O-])C1=CC(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=CC([N+](=O)[O-])=C1	REAL300002905064	0	50	0.0	-83.83	399.55	11.80	-72.03
O=C([O-])C1=CC(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=CC([N+](=O)[O-])=C1	REAL300002905064	1	50	0.0	-56.56	396.14	11.52	-45.04
O=C([O-])C1=CC(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=CC([N+](=O)[O-])=C1	REAL300002905065	0	50	0.0	-83.83	399.55	11.80	-72.03
O=C([O-])C1=CC(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=CC([N+](=O)[O-])=C1	REAL300002905065	1	50	0.0	-56.56	396.14	11.52	-45.04
O=C([O-])C1=CC=C(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)O1	REAL300002905066	0	45	0.0	-67.47	359.45	9.92	-57.55
O=C([O-])C1=CC=C(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)O1	REAL300002905066	1	45	0.0	-66.53	355.46	9.62	-56.91
O=C([O-])C1=CC=CC=C1CCC(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300002905067	0	54	0.0	-73.83	412.75	12.76	-61.07
O=C([O-])C1=CC=CC=C1CCC(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300002905067	1	54	0.0	-72.49	409.60	12.46	-60.03
O=C([O-])C1=CC=CC(CC(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=C1	REAL300002905068	0	51	0.0	-86.74	400.54	12.23	-74.51
O=C([O-])C1=CC=CC(CC(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=C1	REAL300002905068	1	51	0.0	-84.55	396.10	11.89	-72.66
O=C([O-])C1(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)CC1	REAL300002905069	0	45	0.0	-66.75	350.00	9.75	-57.00
O=C([O-])C1(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)CC1	REAL300002905069	1	45	0.0	-65.40	347.19	9.47	-55.93
O=C([O-])C1(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)CC1	REAL300002905070	0	45	0.0	-66.75	350.00	9.75	-57.00
O=C([O-])C1(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)CC1	REAL300002905070	1	45	0.0	-65.40	347.19	9.47	-55.93
O=C([O-])C1CCCC(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)C1	REAL300002905071	0	54	0.0	-73.19	401.06	11.61	-61.58
O=C([O-])C1CCCC(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)C1	REAL300002905071	1	54	0.0	-83.51	391.89	11.11	-72.40
O=C([O-])C1=CC=C(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)C=N1	REAL300002905072	0	47	0.0	-83.03	367.68	9.33	-73.70
O=C([O-])C1=CC=C(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)C=N1	REAL300002905072	1	47	0.0	-82.97	361.48	8.99	-73.98
O=C([O-])C1=CC=C(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)N=C1	REAL300002905073	0	47	0.0	-69.17	370.17	10.21	-58.96
O=C([O-])C1=CC=C(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)N=C1	REAL300002905073	1	47	0.0	-68.41	365.29	9.87	-58.54
CC(C)(CC(=O)[O-])CC(=O)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300002905074	0	53	0.0	-76.07	385.58	11.01	-65.06
CC(C)(CC(=O)[O-])CC(=O)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300002905074	1	53	0.0	-74.46	381.31	10.69	-63.77
O=C([O-])C1=CC=C(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)C(F)=C1	REAL300002905075	0	48	0.0	-77.93	378.64	11.17	-66.76
O=C([O-])C1=CC=C(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)C(F)=C1	REAL300002905075	1	48	0.0	-77.00	374.65	10.92	-66.08
O=C([O-])C1=CN=C(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)C=N1	REAL300002905076	0	46	0.0	-72.12	365.69	8.35	-63.77
O=C([O-])C1=CN=C(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)C=N1	REAL300002905076	1	46	0.0	-71.13	361.27	8.03	-63.10
O=C([O-])[C@H]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)CC1	REAL300002905077	0	54	0.0	-76.74	401.62	11.63	-65.11
O=C([O-])[C@H]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)CC1	REAL300002905077	1	54	0.0	-77.98	395.92	11.30	-66.68
O=C([O-])C1CCC(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)CC1	REAL300002905078	0	54	0.0	-76.77	402.55	11.64	-65.13
O=C([O-])C1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)CC1	REAL300002905078	1	54	0.0	-79.17	385.46	11.04	-68.13
O=C([O-])C1=CC=C(CC(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)C=C1	REAL300002905079	0	51	0.0	-88.32	400.94	12.26	-76.06
O=C([O-])C1=CC=C(CC(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)C=C1	REAL300002905079	1	51	0.0	-86.65	396.67	11.92	-74.73
O=C([O-])C1=CN(CC(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)N=N1	REAL300002905080	0	47	0.0	-89.72	378.30	8.20	-81.52
O=C([O-])C1=CN(CC(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)N=N1	REAL300002905080	1	47	0.0	-88.55	373.31	7.82	-80.73
CC1=NC(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)=CC=C1C(=O)[O-]	REAL300002905081	0	50	0.0	-69.61	386.32	10.72	-58.89
CC1=NC(C(=O)N2C[C@H]3CC[N@@H+](CC4=CC=CC=C4)[C@H]3C2)=CC=C1C(=O)[O-]	REAL300002905081	1	50	0.0	-68.59	380.52	10.37	-58.22
O=C([O-])C1=CC=C(C(=O)N2C[C@H]3CC[N@H+](CC4=CC=CC=C4)[C@H]3C2)C=C1	REAL300002905082	0	48	0.0	-79.89	370.15	11.03	-68.86
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CC(C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300002909242	0	53	0.0	-59.55	403.38	11.99	-47.56
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CCC[N@H+]1CCCCC1C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300002909947	1	53	0.0	-69.13	376.01	11.11	-58.02
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300002909948	0	50	0.0	-50.85	377.48	11.19	-39.66
CC[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)CC1	REAL300002909950	0	55	0.0	-79.71	407.28	8.75	-70.96
CCN1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)CC1	REAL300002909950	1	55	0.0	-75.81	407.79	8.79	-67.02
CC(C)[N@H+](C)CC(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300002909951	0	46	0.0	-63.88	344.19	9.27	-54.61
CC(C)[N@@H+](C)CC(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300002909951	1	46	0.0	-57.94	345.65	9.30	-48.64
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1)[NH+]1CCCCC1	REAL300002909952	0	56	0.0	-72.98	394.30	11.64	-61.34
C[NH+](C)C(C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300002909953	1	50	0.0	-62.28	379.06	11.38	-50.90
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300002909957	0	55	0.0	-51.53	412.89	9.50	-42.03
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300002909957	1	55	0.0	-67.59	422.25	9.52	-58.07
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300002909962	1	51	0.0	-70.16	394.59	11.29	-58.87
C[NH+](C)CC1=C(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)OC2=CC=CC=C21	REAL300002909964	0	53	0.0	-68.32	411.94	12.55	-55.77
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300002909970	0	54	0.0	-58.67	390.01	11.41	-47.26
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300002909970	1	54	0.0	-68.38	388.27	11.87	-56.51
CC[N@H+](CC(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1)C1CC1	REAL300002909972	0	47	0.0	-66.03	357.78	10.13	-55.90
CC[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1)C1CC1	REAL300002909972	1	47	0.0	-67.26	355.08	10.11	-57.15
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1)[NH+]1CC(C)OC(C)C1	REAL300002910000	1	60	0.0	-64.39	423.13	10.78	-53.61
CC(C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1)[NH+]1CCCCCC1	REAL300002910001	0	53	0.0	-57.06	376.79	10.49	-46.57
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300002910005	0	44	0.0	-63.59	333.06	8.89	-54.70
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300002910005	1	44	0.0	-74.14	327.53	8.62	-65.52
CC(C)(C)[NH2+]CC(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300002910090	0	46	0.0	-68.35	348.13	7.81	-60.54
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)O1	REAL300002910092	0	53	0.0	-74.14	403.84	11.00	-63.14
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300002910093	0	53	0.0	-74.43	401.09	11.42	-63.01
CC1=CC=C(N2CCC(C(=O)N3CCC(C(=O)[O-])(C4=CC=CC=C4)C3)CC2)[NH+]=C1	REAL300002910095	1	56	0.0	-60.55	423.13	11.10	-49.45
C[N@H+](CC(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1)CC1=CC=CC=C1	REAL300002910096	1	50	0.0	-73.21	385.84	11.69	-61.52
C[N@@H+](CC(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1)CC1=CC=CC=C1	REAL300002910096	1	50	0.0	-70.40	386.42	11.67	-58.73
CC(C)[C@@H](C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1)[NH+](C)C	REAL300002910107	0	49	0.0	-76.69	352.76	9.81	-66.88
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300002910125	1	45	0.0	-78.05	362.15	9.07	-68.98
C[NH+](C)CC1=CC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=NO1	REAL300002910153	1	46	0.0	-80.65	366.18	9.34	-71.31
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300002910157	0	57	0.0	-74.30	432.21	12.96	-61.34
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300002910157	1	57	0.0	-78.03	430.19	13.18	-64.85
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300002910171	0	50	0.0	-64.01	360.36	10.53	-53.48
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300002910171	1	50	0.0	-72.30	359.10	10.33	-61.97
C[NH+]1CCC(OCC(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)CC1	REAL300002910193	0	51	0.0	-86.21	389.14	10.27	-75.94
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300002910198	0	54	0.0	-74.89	413.07	11.68	-63.21
CCC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300002910388	0	53	0.0	-55.00	385.67	11.16	-43.84
CCC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300002910388	1	53	0.0	-57.61	384.07	11.02	-46.59
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300002910419	0	53	0.0	-71.14	393.58	11.16	-59.98
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300002910419	1	53	0.0	-65.41	389.22	10.94	-54.47
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300002910420	0	51	0.0	-70.45	382.60	7.27	-63.18
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300002910648	0	53	0.0	-65.52	376.44	11.28	-54.24
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300002910648	1	53	0.0	-67.07	388.20	10.75	-56.32
C[N@@H+]1CC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C(C(F)(F)F)C1	REAL300002910649	0	47	0.0	-73.48	368.51	10.21	-63.27
C[N@H+]1CC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C(C(F)(F)F)C1	REAL300002910649	1	47	0.0	-75.88	363.87	9.35	-66.53
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)N1	REAL300002910674	1	48	0.0	-70.34	379.42	9.42	-60.92
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=C1	REAL300002911158	0	53	0.0	-81.84	406.52	11.97	-69.87
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1	REAL300002911165	0	54	0.0	-72.60	413.00	10.97	-61.63
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300002911305	0	47	0.0	-64.73	360.61	9.80	-54.93
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)CC1	REAL300002911309	0	53	0.0	-61.91	378.52	10.84	-51.07
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300002911375	0	56	0.0	-69.36	407.03	11.54	-57.82
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300002911375	1	56	0.0	-69.36	407.03	11.54	-57.82
CC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300002911376	0	50	0.0	-63.04	362.10	10.10	-52.94
CC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300002911376	1	50	0.0	-63.04	362.10	10.10	-52.94
C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300002911381	0	47	0.0	-64.22	343.38	9.58	-54.64
C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300002911381	1	47	0.0	-64.22	343.38	9.58	-54.64
CN(C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)O1	REAL300002911383	0	47	0.0	-75.84	372.55	9.90	-65.94
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)O1	REAL300002911383	1	47	0.0	-75.84	372.55	9.90	-65.94
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300002911389	0	56	0.0	-87.69	393.93	10.66	-77.03
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300002911389	1	56	0.0	-87.69	393.93	10.66	-77.03
O=C([O-])C1(C2=CC=CC=C2)CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300002911392	0	49	0.0	-62.54	366.44	10.28	-52.26
O=C([O-])C1=CN(C2CCCN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)C2)N=N1	REAL300002912359	0	56	0.0	-91.61	430.22	10.09	-81.52
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)C2)N=N1	REAL300002912915	0	53	0.0	-66.23	413.32	9.58	-56.65
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)C2)N=N1	REAL300002912915	1	53	0.0	-78.53	406.14	9.14	-69.39
O=C([O-])C1=CN(C2CCCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)N=N1	REAL300002913745	0	50	0.0	-84.49	378.92	7.78	-76.71
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCC[N@@H+]3C3CC3)C2)N=N1	REAL300002913770	0	47	0.0	-79.47	358.50	6.84	-72.63
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCC[N@H+]3C3CC3)C2)N=N1	REAL300002913770	1	47	0.0	-76.61	357.77	7.16	-69.45
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(N4C=C(C(=O)[O-])N=N4)C3)CN21	REAL300002913776	1	48	0.0	-64.08	377.06	7.62	-56.46
O=C([O-])C1=CN(C2CCCN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)C2)N=N1	REAL300002913777	0	56	0.0	-66.38	429.97	9.92	-56.46
C[N@@H+]1CCCCC1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002913855	0	46	0.0	-81.19	342.31	6.22	-74.97
C[N@H+]1CCCCC1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002913855	1	46	0.0	-77.21	349.42	6.53	-70.68
CC(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)N1CC[NH+](C)CC1	REAL300002913856	1	51	0.0	-82.67	385.26	4.94	-77.73
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002913896	0	46	0.0	-77.46	350.00	6.59	-70.87
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002913896	1	46	0.0	-81.79	342.13	6.22	-75.57
C[NH+]1CCC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300002913982	0	46	0.0	-87.21	354.03	6.57	-80.64
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)N=N1	REAL300002914012	0	41	0.0	-84.46	343.74	8.30	-76.16
C[NH+](C)CC1(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CCCCC1	REAL300002914046	0	55	0.0	-85.88	379.90	7.86	-78.02
C[N@H+](CCC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)C1CCCCC1	REAL300002914051	0	55	0.0	-85.52	408.08	8.65	-76.87
C[N@@H+](CCC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)C1CCCCC1	REAL300002914051	1	55	0.0	-85.49	408.11	8.64	-76.85
C[N@@H+]1CCCC1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914067	0	43	0.0	-81.51	328.69	5.53	-75.98
C[N@H+]1CCCC1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914067	1	43	0.0	-78.44	331.10	5.78	-72.66
C[NH+]1CCC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300002914122	0	46	0.0	-87.21	354.03	6.57	-80.64
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)C2)N=N1	REAL300002914126	0	49	0.0	-84.22	397.25	7.25	-76.97
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)C2)N=N1	REAL300002914145	0	56	0.0	-79.11	400.52	9.01	-70.10
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCCC[N@H+]3C3CCCC3)C2)N=N1	REAL300002914145	1	56	0.0	-77.38	399.69	8.54	-68.84
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C2)N=N1	REAL300002914146	0	57	0.0	-76.52	411.44	6.91	-69.61
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914182	1	47	0.0	-80.02	380.64	7.96	-72.06
O=C([O-])C1=CN(C2CCCN(C(=O)CCCC[NH+]3CCOCC3)C2)N=N1	REAL300002914183	1	53	0.0	-86.95	407.95	6.64	-80.31
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C=C1)C(C)C	REAL300002914186	0	58	0.0	-85.08	432.54	9.62	-75.46
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C=C1)C(C)C	REAL300002914186	1	58	0.0	-87.46	427.53	9.39	-78.07
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914189	0	43	0.0	-79.94	328.04	5.56	-74.38
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914189	1	43	0.0	-78.33	334.30	5.85	-72.48
C[NH+](C)C1(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300002914198	0	43	0.0	-83.97	331.75	5.48	-78.49
O=C([O-])C1=CN(C2CCCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)C2)N=N1	REAL300002914243	0	53	0.0	-84.96	414.06	9.42	-75.54
O=C([O-])C1=CN(C2CCCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)C2)N=N1	REAL300002914243	1	53	0.0	-84.15	409.98	9.28	-74.87
O=C([O-])C1=CN(C2CCCN(C(=O)C3CC[NH+](C4CCSC4)CC3)C2)N=N1	REAL300002914244	0	54	0.0	-91.14	408.83	8.55	-82.59
O=C([O-])C1=CN(C2CCCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)N=N1	REAL300002914267	0	57	0.0	-84.43	406.44	6.92	-77.51
CCC(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+](CC)CC	REAL300002914271	0	51	0.0	-73.91	369.96	7.16	-66.75
CC(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300002914273	0	52	0.0	-82.10	402.98	8.94	-73.16
CC(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002914273	1	52	0.0	-83.25	403.15	8.98	-74.27
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C=N1	REAL300002914303	0	48	0.0	-89.01	383.61	6.33	-82.68
CCC[NH+](CCC)CCCC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914309	0	57	0.0	-83.77	427.78	8.97	-74.80
CC[N@H+](C)C(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)C1=CC=CC=C1	REAL300002914310	0	52	0.0	-76.71	397.75	8.89	-67.82
CC[N@@H+](C)C(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)C1=CC=CC=C1	REAL300002914310	1	52	0.0	-76.49	398.66	8.89	-67.60
C[N@@H+]1CCOC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002914312	1	44	0.0	-95.22	342.50	5.24	-89.98
C[N@H+]1CCOC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002914312	1	44	0.0	-72.92	343.23	5.27	-67.65
CC[NH+](CC)C(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)C1=CC=CC=C1	REAL300002914314	0	55	0.0	-78.95	407.93	9.20	-69.75
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914323	1	47	0.0	-76.26	375.00	7.71	-68.55
C[NH+](C)C(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)C1=CC=C(Cl)C=C1	REAL300002914328	1	49	0.0	-81.94	394.50	8.73	-73.21
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)C2)N=N1	REAL300002914341	0	53	0.0	-89.57	412.75	9.32	-80.25
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)C2)N=N1	REAL300002914348	0	56	0.0	-81.96	429.49	10.02	-71.94
C[NH+](C)CC1(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300002914352	0	46	0.0	-82.39	357.61	6.55	-75.84
C[NH+](C)CCCCC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914360	0	48	0.0	-85.01	375.06	7.17	-77.84
CC(C)C(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+](C)C	REAL300002914369	0	48	0.0	-80.04	350.02	6.51	-73.53
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)C2)N=N1	REAL300002914382	0	56	0.0	-81.86	418.81	9.79	-72.07
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)C2)N=N1	REAL300002914382	1	56	0.0	-79.85	415.69	9.66	-70.19
CC1=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C=NN1C1=CC=[NH+]C=C1	REAL300002914384	1	47	0.0	-87.13	384.78	6.52	-80.61
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)C2)N=N1	REAL300002914392	0	56	0.0	-89.89	428.93	10.01	-79.88
O=C([O-])C1=CN(C2CCCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)C2)N=N1	REAL300002914405	1	49	0.0	-85.79	390.82	7.43	-78.36
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C=C1	REAL300002914406	0	52	0.0	-89.70	409.83	9.00	-80.70
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914417	1	45	0.0	-74.79	361.35	5.56	-69.23
O=C([O-])C1=CN(C2CCCN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)C2)N=N1	REAL300002914419	1	54	0.0	-89.62	412.32	8.65	-80.97
O=C([O-])C1=CN(C2CCCN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)C2)N=N1	REAL300002914419	1	54	0.0	-89.52	412.52	8.67	-80.85
CCC[N@H+](C)CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914428	0	45	0.0	-82.29	348.94	6.41	-75.88
CCC[N@@H+](C)CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914428	1	45	0.0	-82.28	348.93	6.40	-75.88
C[N@H+](CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)C1CCC1	REAL300002914450	0	46	0.0	-79.55	355.79	6.98	-72.57
C[N@@H+](CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)C1CCC1	REAL300002914450	1	46	0.0	-80.00	355.98	6.99	-73.01
CC(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+]1CCSCC1	REAL300002914474	1	47	0.0	-81.80	366.60	6.92	-74.88
C[N@H+](CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)CC(C)(C)C	REAL300002914478	0	51	0.0	-82.21	377.54	7.39	-74.82
C[N@@H+](CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)CC(C)(C)C	REAL300002914478	1	51	0.0	-82.04	379.49	7.55	-74.49
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914480	0	52	0.0	-85.74	408.84	9.44	-76.30
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914480	1	52	0.0	-85.70	408.84	9.44	-76.26
COCCOCC[N@H+](C)CCC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914481	0	56	0.0	-84.69	437.80	5.68	-79.01
COCCOCC[N@@H+](C)CCC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914481	1	56	0.0	-85.80	437.85	5.68	-80.12
CC[C@@H](C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+](C)C	REAL300002914485	0	45	0.0	-80.16	339.31	5.97	-74.19
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002914487	0	50	0.0	-81.57	377.15	5.47	-76.10
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002914487	1	50	0.0	-82.41	367.40	5.29	-77.12
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)C2)N=N1	REAL300002914508	1	55	0.0	-86.46	414.09	8.05	-78.41
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)C2)N=N1	REAL300002914508	1	55	0.0	-84.45	410.62	7.87	-76.58
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CN=C3)C2)N=N1	REAL300002914509	1	55	0.0	-85.03	410.61	7.81	-77.22
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCCC[N@H+]3CC3=CC=CN=C3)C2)N=N1	REAL300002914509	1	55	0.0	-84.13	413.74	8.01	-76.12
CCCCCC[N@H+](C)CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914511	0	54	0.0	-83.46	413.43	8.75	-74.71
CCCCCC[N@@H+](C)CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914511	1	54	0.0	-83.41	413.43	8.76	-74.65
O=C([O-])C1=CN(C2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)N=N1	REAL300002914521	0	47	0.0	-76.43	348.12	6.34	-70.09
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)N=N1	REAL300002914529	1	41	0.0	-87.24	338.37	8.14	-79.10
C[N@H+](CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)C1CCSC1	REAL300002914542	0	47	0.0	-87.39	369.01	7.25	-80.14
C[N@@H+](CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)C1CCSC1	REAL300002914542	1	47	0.0	-88.61	369.05	7.22	-81.39
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300002914559	0	57	0.0	-81.61	424.70	6.19	-75.42
CC(C)N1CC[NH+](CCC(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300002914559	1	57	0.0	-85.15	421.56	6.02	-79.13
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300002914560	0	60	0.0	-79.85	446.51	7.03	-72.82
CC(C)N1CC[NH+](CCCC(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300002914560	1	60	0.0	-84.48	443.37	6.85	-77.63
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCCC4CCC[N@@H+]43)C2)N=N1	REAL300002914561	0	50	0.0	-78.03	362.04	7.07	-70.96
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCCC4CCC[N@H+]43)C2)N=N1	REAL300002914561	1	50	0.0	-77.42	362.82	7.02	-70.40
C[NH+](C)CCN1C=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C=N1	REAL300002914563	0	49	0.0	-95.11	391.81	6.18	-88.93
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)C2)N=N1	REAL300002914574	0	55	0.0	-86.97	425.35	8.34	-78.63
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)C2)N=N1	REAL300002914574	1	55	0.0	-75.78	424.23	8.28	-67.50
CC(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002914579	1	53	0.0	-83.02	404.12	9.31	-73.71
CC(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002914579	1	53	0.0	-68.54	403.22	9.32	-59.22
CCC(CC)C(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+]1CCOCC1	REAL300002914597	1	59	0.0	-76.64	413.05	7.31	-69.33
CCCC(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+](C)C	REAL300002914598	0	48	0.0	-80.67	360.75	6.80	-73.87
O=C([O-])C1=CN(C2CCCN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)C2)N=N1	REAL300002914599	0	56	0.0	-88.26	434.24	10.26	-78.00
O=C([O-])C1=CN(C2CCCN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)C2)N=N1	REAL300002914599	1	56	0.0	-88.63	435.18	10.30	-78.33
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)=N1	REAL300002914614	0	49	0.0	-68.51	391.10	6.80	-61.71
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914615	0	49	0.0	-73.35	387.03	6.15	-67.20
C[C@@H]1[C@H](C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC[N@@H+]1C	REAL300002914618	0	46	0.0	-85.07	343.10	6.24	-78.83
C[C@@H]1[C@H](C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC[N@H+]1C	REAL300002914618	1	46	0.0	-86.61	350.96	6.26	-80.35
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914620	1	50	0.0	-77.11	395.66	8.27	-68.84
CC[C@@H]1[C@@H](C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC[N@@H+]1C	REAL300002914623	0	49	0.0	-84.28	362.39	6.51	-77.77
CC[C@@H]1[C@@H](C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC[N@H+]1C	REAL300002914623	1	49	0.0	-83.03	374.70	7.25	-75.78
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)=NN1	REAL300002914625	1	50	0.0	-87.25	392.22	6.35	-80.90
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)=NN1	REAL300002914625	1	50	0.0	-74.06	392.56	6.33	-67.73
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914626	1	45	0.0	-78.53	354.78	6.75	-71.78
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914626	1	45	0.0	-79.87	361.05	7.14	-72.73
CC1C[N@H+](C)CC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)O1	REAL300002914632	1	47	0.0	-96.52	356.47	5.55	-90.97
CC1C[N@@H+](C)CC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)O1	REAL300002914632	1	47	0.0	-94.24	357.01	5.96	-88.28
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)C2)N=N1	REAL300002914639	1	52	0.0	-78.87	402.99	7.51	-71.36
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)C2)N=N1	REAL300002914639	1	52	0.0	-76.92	401.83	7.26	-69.66
O=C([O-])C1=CN(C2CCCN(C(=O)C[NH+]3CCCC3)C2)N=N1	REAL300002914642	0	43	0.0	-81.37	333.85	6.11	-75.26
CC1=[NH+]C=CN1CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914644	1	41	0.0	-77.62	338.76	6.57	-71.05
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914646	0	50	0.0	-84.85	378.56	5.52	-79.33
CC1CC[NH+](CC(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300002914665	0	49	0.0	-82.86	372.25	7.49	-75.37
CC[N@@H+]1CCOC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002914676	1	47	0.0	-68.40	353.50	5.74	-62.66
CC[N@H+]1CCOC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002914676	1	47	0.0	-93.05	360.31	5.88	-87.17
O=C([O-])C1=CN(C2CCCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)C2)N=N1	REAL300002914713	0	56	0.0	-83.43	412.52	8.79	-74.64
O=C([O-])C1=CN(C2CCCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)C2)N=N1	REAL300002914713	1	56	0.0	-84.12	412.79	8.79	-75.33
C[N@@H+]1CCCC1CCC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914719	0	49	0.0	-86.96	377.16	7.54	-79.42
C[N@H+]1CCCC1CCC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914719	1	49	0.0	-86.54	373.64	7.37	-79.17
O=C([O-])C1=CN(C2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)N=N1	REAL300002914731	0	50	0.0	-92.59	356.08	6.64	-85.95
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914733	0	47	0.0	-76.68	352.36	2.51	-74.17
C[N@H+]1CC(O)CC1(C)C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914733	1	47	0.0	-78.14	349.69	2.35	-75.79
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCC4CCCC[N@@H+]43)C2)N=N1	REAL300002914734	0	50	0.0	-76.44	373.59	7.77	-68.67
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCC4CCCC[N@H+]43)C2)N=N1	REAL300002914734	1	50	0.0	-77.93	370.07	7.47	-70.46
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914741	0	53	0.0	-82.80	381.41	5.58	-77.22
CC[NH+](CC)CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914757	0	45	0.0	-80.15	345.72	6.35	-73.80
CC(C)[NH+]1CCC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300002914759	0	52	0.0	-68.30	387.08	7.71	-60.59
O=C([O-])C1=CN(C2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)N=N1	REAL300002914840	0	44	0.0	-85.58	333.87	5.25	-80.33
CCC(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+](C)C	REAL300002914843	0	45	0.0	-77.78	337.81	5.91	-71.87
O=C([O-])C1=CN(C2CCCN(C(=O)C34CC[N@H+](C3)CCC4)C2)N=N1	REAL300002914851	0	47	0.0	-84.03	343.15	5.85	-78.18
O=C([O-])C1=CN(C2CCCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)N=N1	REAL300002914851	1	47	0.0	-70.24	343.26	5.86	-64.38
CC1CCC(C)[NH+]1CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914896	0	49	0.0	-78.59	366.76	7.02	-71.57
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)=C1	REAL300002914897	0	49	0.0	-82.89	387.33	8.15	-74.74
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)C2)N=N1	REAL300002914898	0	56	0.0	-83.17	430.69	10.10	-73.07
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)C2)N=N1	REAL300002914898	1	56	0.0	-88.72	420.30	9.96	-78.76
C[NH+](C)C1(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CCC1	REAL300002914936	0	46	0.0	-83.90	334.59	5.85	-78.05
C#CC[NH+]1CCC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300002914964	0	48	0.0	-72.25	377.94	7.72	-64.53
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914966	0	52	0.0	-78.72	378.28	7.44	-71.28
CCC[N@H+]1CCCCC1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914966	1	52	0.0	-78.82	378.36	7.52	-71.30
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914967	0	49	0.0	-74.07	383.98	8.13	-65.94
CC[NH+]1CCN(CCC(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300002914969	0	54	0.0	-82.98	407.46	5.64	-77.34
CCN1CC[NH+](CCC(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300002914969	1	54	0.0	-85.19	408.27	5.71	-79.48
CC(C)[N@H+](C)CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914970	0	45	0.0	-79.39	344.12	6.20	-73.19
CC(C)[N@@H+](C)CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914970	1	45	0.0	-79.42	344.11	6.20	-73.22
CC(C)C(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+]1CCCCC1	REAL300002914971	0	55	0.0	-77.86	392.10	8.36	-69.50
C[NH+](C)C(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)C1=CC=CC=C1	REAL300002914972	1	49	0.0	-77.92	381.00	8.24	-69.68
O=C([O-])C1=CN(C2CCCN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)C2)N=N1	REAL300002914976	0	54	0.0	-80.75	418.04	6.51	-74.24
O=C([O-])C1=CN(C2CCCN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)C2)N=N1	REAL300002914976	1	54	0.0	-69.87	416.77	6.42	-63.45
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002914981	1	50	0.0	-76.20	394.73	8.16	-68.04
C[NH+](C)CC1=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)OC2=CC=CC=C21	REAL300002914983	0	52	0.0	-70.92	405.08	8.73	-62.19
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCC[N@@H+]3C3CCCC3)C2)N=N1	REAL300002914989	0	53	0.0	-78.55	388.97	8.34	-70.21
O=C([O-])C1=CN(C2CCCN(C(=O)C3CCC[N@H+]3C3CCCC3)C2)N=N1	REAL300002914989	1	53	0.0	-77.90	392.91	8.21	-69.69
CC[N@H+](CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)C1CC1	REAL300002914991	0	46	0.0	-78.09	358.26	7.03	-71.06
CC[N@@H+](CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)C1CC1	REAL300002914991	1	46	0.0	-80.81	351.01	6.91	-73.90
CC(C)C(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+]1CC(C)OC(C)C1	REAL300002915018	1	59	0.0	-77.85	414.05	7.17	-70.68
CC(C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+]1CCCCCC1	REAL300002915019	0	52	0.0	-77.03	377.50	7.43	-69.60
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002915023	0	43	0.0	-78.42	331.84	5.85	-72.57
C[N@H+]1CCC[C@H]1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002915023	1	43	0.0	-80.42	328.08	5.54	-74.88
CC(C)(C)[NH2+]CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002915106	0	45	0.0	-80.71	348.62	4.73	-75.98
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)O1	REAL300002915108	0	52	0.0	-64.93	406.87	8.17	-56.76
O=C([O-])C1=CN(C2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)N=N1	REAL300002915109	0	52	0.0	-83.93	399.42	8.25	-75.68
CC1=CC=C(N2CCC(C(=O)N3CCCC(N4C=C(C(=O)[O-])N=N4)C3)CC2)[NH+]=C1	REAL300002915111	1	55	0.0	-82.13	423.67	7.99	-74.14
C[N@H+](CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)CC1=CC=CC=C1	REAL300002915112	1	49	0.0	-87.18	386.36	8.59	-78.59
C[N@@H+](CC(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)CC1=CC=CC=C1	REAL300002915112	1	49	0.0	-87.19	386.40	8.59	-78.60
CC(C)[C@@H](C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+](C)C	REAL300002915123	0	48	0.0	-80.45	349.13	6.65	-73.80
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C2)N=N1	REAL300002915141	1	44	0.0	-86.65	365.78	6.07	-80.58
C[NH+](C)CC1=CC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)=NO1	REAL300002915168	1	45	0.0	-87.18	365.36	6.29	-80.89
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002915172	0	56	0.0	-91.82	431.65	9.88	-81.94
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002915172	1	56	0.0	-91.87	432.02	9.88	-81.99
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002915185	0	49	0.0	-77.09	365.03	6.92	-70.17
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002915185	1	49	0.0	-79.32	356.89	7.08	-72.24
C[NH+]1CCC(OCC(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300002915208	0	50	0.0	-88.26	389.26	7.14	-81.12
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)C2)N=N1	REAL300002915212	0	53	0.0	-66.04	411.54	8.59	-57.45
CCC[N@@H+]1CCCC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002915395	0	52	0.0	-74.28	383.65	8.04	-66.24
CCC[N@H+]1CCCC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002915395	1	52	0.0	-82.57	391.92	7.88	-74.69
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002915426	0	52	0.0	-78.29	390.69	7.99	-70.30
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300002915426	1	52	0.0	-79.11	387.10	7.64	-71.47
O=C([O-])C1=CN(C2CCCN(C(=O)C[NH+]3CCC(CO)CC3)C2)N=N1	REAL300002915427	0	50	0.0	-83.68	383.09	4.17	-79.51
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002915650	0	52	0.0	-66.86	387.88	7.69	-59.17
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002915650	1	52	0.0	-73.49	378.85	7.82	-65.67
C[N@@H+]1CC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C(C(F)(F)F)C1	REAL300002915651	0	46	0.0	-93.22	369.72	6.52	-86.70
C[N@H+]1CC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C(C(F)(F)F)C1	REAL300002915651	1	46	0.0	-94.24	369.73	6.54	-87.70
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)N1	REAL300002915677	1	47	0.0	-77.09	380.52	6.34	-70.75
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)=C1	REAL300002916156	0	52	0.0	-83.49	410.42	9.00	-74.49
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C=C1	REAL300002916163	0	53	0.0	-86.84	415.49	7.90	-78.94
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002916300	0	46	0.0	-83.09	358.80	6.74	-76.35
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300002916304	0	52	0.0	-75.76	378.31	7.48	-68.28
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002916369	0	55	0.0	-81.85	410.26	8.62	-73.23
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002916369	1	55	0.0	-81.85	410.26	8.62	-73.23
CC[N@@H+]1CCCC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002916370	0	49	0.0	-87.41	371.73	7.21	-80.20
CC[N@H+]1CCCC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002916370	1	49	0.0	-87.41	371.73	7.21	-80.20
C[N@@H+]1CCCC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002916375	0	46	0.0	-83.93	354.14	6.54	-77.39
C[N@H+]1CCCC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002916375	1	46	0.0	-83.93	354.14	6.54	-77.39
CN(C)CC1=CC=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)O1	REAL300002916377	0	46	0.0	-67.95	369.95	6.72	-61.23
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)O1	REAL300002916377	1	46	0.0	-67.95	369.95	6.72	-61.23
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002916383	0	55	0.0	-94.45	392.25	7.48	-86.97
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300002916383	1	55	0.0	-94.45	392.25	7.48	-86.97
O=C([O-])C1=CN(C2CCCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)N=N1	REAL300002916386	0	48	0.0	-81.75	362.78	8.31	-73.44
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2CC3=CC=CC=C3C2)C1	REAL300002916463	0	50	0.0	-50.07	375.49	9.96	-40.11
CC1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1	REAL300002916587	0	58	0.0	-46.38	386.17	10.09	-36.29
O=C([O-])C1CCC[N@H+](CC(=O)N2C3C=C(C4=CC=CC=C4)CC2CC3)C1	REAL300002916704	0	52	0.0	-49.26	387.86	12.26	-37.00
O=C([O-])C1CCC[N@@H+](CC(=O)N2C3C=C(C4=CC=CC=C4)CC2CC3)C1	REAL300002916704	1	52	0.0	-49.26	387.86	12.26	-37.00
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)C1	REAL300002916820	0	55	0.0	-59.21	413.47	6.64	-52.57
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)C1	REAL300002916820	1	55	0.0	-59.21	413.47	6.64	-52.57
COC1=CC(N2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=CC=C1F	REAL300002916939	0	53	0.0	-50.13	391.29	7.35	-42.78
COC1=CC(N2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=CC=C1F	REAL300002916939	1	53	0.0	-50.13	391.29	7.35	-42.78
CN1N=CC=C1C1=CC2CCC(C1)N2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002917054	0	52	0.0	-53.35	389.47	9.80	-43.55
CN1N=CC=C1C1=CC2CCC(C1)N2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002917054	1	52	0.0	-49.16	377.70	9.02	-40.14
O=C([O-])C1CCC[N@H+](CC(=O)N2CC(C3=CC=CC=C3)C3COCCC32)C1	REAL300002917163	0	55	0.0	-48.40	406.96	10.12	-38.28
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC(C3=CC=CC=C3)C3COCCC32)C1	REAL300002917163	1	55	0.0	-48.48	398.91	10.01	-38.47
CN(CCC1=CC=CC([N+](=O)[O-])=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002917277	0	48	0.0	-53.67	384.62	10.94	-42.73
CN(CCC1=CC=CC([N+](=O)[O-])=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002917277	1	48	0.0	-57.96	378.41	10.96	-47.00
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CC1)OC1=CC=C(Br)C=C1	REAL300002917786	0	45	0.0	-57.48	382.56	8.99	-48.49
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CC1)OC1=CC=C(Br)C=C1	REAL300002917786	1	45	0.0	-60.50	375.45	8.31	-52.19
C[NH+](C)CC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002917810	0	37	0.0	-63.05	325.06	6.47	-56.58
C[N@@H+]1CCCCC1C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002917811	0	44	0.0	-58.33	367.04	8.06	-50.27
C[N@H+]1CCCCC1C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002917811	1	44	0.0	-58.44	366.79	8.14	-50.30
C[N@@H+]1CCCC[C@H]1C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002917824	0	44	0.0	-58.42	366.79	8.14	-50.28
C[N@H+]1CCCC[C@H]1C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002917824	1	44	0.0	-60.89	357.69	7.91	-52.98
C[NH+]1CCC(C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300002917838	0	44	0.0	-70.49	369.16	8.19	-62.30
C[N@@H+]1CCCC1C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002917866	0	41	0.0	-60.97	344.99	7.02	-53.95
C[N@H+]1CCCC1C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002917866	1	41	0.0	-60.41	344.80	7.08	-53.33
C[NH+]1CCC(C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300002917887	0	44	0.0	-70.49	369.16	8.19	-62.30
C[C@@H](C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-])[NH+](C)C	REAL300002917907	0	40	0.0	-60.79	343.09	7.00	-53.79
C[N@@H+]1CCC[C@@H]1C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002917908	0	41	0.0	-60.95	345.24	7.07	-53.88
C[N@H+]1CCC[C@@H]1C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002917908	1	41	0.0	-59.42	350.17	7.55	-51.87
C[C@H](C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-])[NH+](C)C	REAL300002917912	0	40	0.0	-60.80	343.22	6.99	-53.81
C[NH+](C)C1(C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300002917920	0	41	0.0	-64.57	346.45	7.82	-56.75
C[N@@H+]1CCOC(C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300002917964	1	42	0.0	-73.85	362.43	6.94	-66.91
C[N@H+]1CCOC(C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300002917964	1	42	0.0	-73.30	362.43	6.94	-66.36
C[NH+](C)CC1(C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300002917972	0	44	0.0	-63.78	375.97	8.21	-55.57
C[NH+](C)CCCCC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002917974	0	46	0.0	-70.53	390.42	8.61	-61.92
CC(C)C(C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-])[NH+](C)C	REAL300002917980	0	46	0.0	-61.42	373.45	8.69	-52.73
CCC[N@H+](C)CC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002917988	0	43	0.0	-62.06	364.10	7.96	-54.10
CCC[N@@H+](C)CC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002917988	1	43	0.0	-62.02	364.30	7.89	-54.13
C[N@H+](CC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-])C1CCC1	REAL300002917994	0	44	0.0	-59.60	371.29	8.45	-51.15
C[N@@H+](CC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-])C1CCC1	REAL300002917994	1	44	0.0	-59.85	371.19	8.46	-51.39
CC[C@@H](C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-])[NH+](C)C	REAL300002918000	0	43	0.0	-58.66	355.02	7.59	-51.07
O=C([O-])C(CNC(=O)C12CCC[NH+]1CCC2)OC1=CC=C(Br)C=C1	REAL300002918019	0	45	0.0	-61.61	369.80	8.47	-53.14
CCCC(C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-])[NH+](C)C	REAL300002918034	0	46	0.0	-59.50	377.76	8.35	-51.15
C[C@@H]1[C@H](C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300002918038	0	44	0.0	-66.85	362.69	7.71	-59.14
C[C@@H]1[C@H](C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300002918038	1	44	0.0	-67.92	367.63	7.78	-60.14
CC[C@@H]1[C@@H](C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300002918039	0	47	0.0	-67.14	382.40	8.14	-59.00
CC[C@@H]1[C@@H](C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300002918039	1	47	0.0	-65.73	390.98	8.72	-57.01
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002918040	1	43	0.0	-58.07	371.66	8.26	-49.81
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002918040	1	43	0.0	-59.46	377.45	8.78	-50.68
O=C([O-])C(CNC(=O)C[NH+]1CCCC1)OC1=CC=C(Br)C=C1	REAL300002918044	0	41	0.0	-61.23	349.03	7.50	-53.73
CC1=[NH+]C=CN1CC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002918045	1	39	0.0	-59.64	354.30	8.16	-51.48
CC1CC[NH+](CC(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])CC1	REAL300002918059	0	47	0.0	-62.15	387.90	8.95	-53.20
C[N@@H+]1CCCC1CCC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002918068	0	47	0.0	-68.41	392.46	8.97	-59.44
C[N@H+]1CCCC1CCC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002918068	1	47	0.0	-66.44	386.70	8.57	-57.87
CC[NH+](CC)CC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002918074	0	43	0.0	-60.26	356.66	7.56	-52.70
O=C([O-])C(CNC(=O)C12CC[NH+](CC1)C2)OC1=CC=C(Br)C=C1	REAL300002918090	0	42	0.0	-67.93	356.49	7.06	-60.87
CCC(C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-])[NH+](C)C	REAL300002918092	0	43	0.0	-58.68	354.52	7.63	-51.05
O=C([O-])C(CNC(=O)C12CC[N@H+](C1)CCC2)OC1=CC=C(Br)C=C1	REAL300002918094	0	45	0.0	-69.83	366.98	7.71	-62.12
O=C([O-])C(CNC(=O)C12CC[N@@H+](C1)CCC2)OC1=CC=C(Br)C=C1	REAL300002918094	1	45	0.0	-67.30	366.61	7.71	-59.59
CC1CCC(C)[NH+]1CC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002918108	0	47	0.0	-58.04	381.64	8.34	-49.70
C[NH+](C)C1(C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])CCC1	REAL300002918116	0	44	0.0	-63.85	355.88	8.04	-55.81
CC(C)[N@H+](C)CC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002918121	0	43	0.0	-59.57	359.49	7.67	-51.90
CC(C)[N@@H+](C)CC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002918121	1	43	0.0	-59.54	359.29	7.74	-51.80
CC[N@H+](CC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-])C1CC1	REAL300002918126	0	44	0.0	-58.44	375.11	8.57	-49.87
CC[N@@H+](CC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-])C1CC1	REAL300002918126	1	44	0.0	-60.84	367.07	8.42	-52.42
C[N@@H+]1CCC[C@H]1C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002918131	0	41	0.0	-59.61	350.87	7.51	-52.10
C[N@H+]1CCC[C@H]1C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002918131	1	41	0.0	-60.51	345.08	7.08	-53.43
CC(C)(C)[NH2+]CC(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002918150	0	43	0.0	-60.69	364.00	6.20	-54.49
CC(C)[C@@H](C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-])[NH+](C)C	REAL300002918154	0	46	0.0	-61.65	375.07	8.66	-52.99
CC(C)[N@@H+]1CCCC1C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002918168	0	47	0.0	-57.10	383.07	8.54	-48.56
CC(C)[N@H+]1CCCC1C(=O)NCC(OC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300002918168	1	47	0.0	-58.05	383.99	8.60	-49.45
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300002918397	0	44	0.0	-66.82	374.62	8.20	-58.62
CC[N@@H+]1CCCC(C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300002918405	0	47	0.0	-58.07	380.85	9.01	-49.06
CC[N@H+]1CCCC(C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300002918405	1	47	0.0	-58.07	380.85	9.01	-49.06
C[N@@H+]1CCCC(C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300002918407	0	44	0.0	-58.07	363.35	8.32	-49.75
C[N@H+]1CCCC(C(=O)NCC(OC2=CC=C(Br)C=C2)C(=O)[O-])C1	REAL300002918407	1	44	0.0	-58.07	363.35	8.32	-49.75
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC2C2CCCO2)C1	REAL300002918469	0	49	0.0	-48.92	344.54	7.05	-41.87
COC1C2CC3CN(C(=O)C[N@@H+]4CCCC(C(=O)[O-])C4)C1C3C2	REAL300002918562	0	49	0.0	-44.47	354.14	8.90	-35.57
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC(C3CCC3)C2)C1	REAL300002918664	0	51	0.0	-48.74	362.82	8.64	-40.10
COC1=CC=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC3(CC3)C2=C1	REAL300002918787	0	52	0.0	-51.39	389.61	10.10	-41.29
CCN1N=C(C)C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300002919045	0	45	0.0	-50.48	349.67	4.97	-45.51
CCN1N=C(C)C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300002919045	1	45	0.0	-51.74	355.86	4.99	-46.75
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(N3C=CN=N3)C2)C1	REAL300002919142	0	46	0.0	-53.49	340.74	6.51	-46.98
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(N3C=CN=N3)C2)C1	REAL300002919142	1	46	0.0	-57.54	348.22	6.97	-50.57
C[NH+](C)CC(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919482	0	40	0.0	-54.60	336.15	8.96	-45.64
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919483	0	47	0.0	-54.32	377.31	10.55	-43.77
C[N@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919483	1	47	0.0	-55.88	365.22	10.02	-45.86
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919493	0	47	0.0	-54.30	377.33	10.56	-43.74
C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919493	1	47	0.0	-56.36	365.97	10.09	-46.27
C[NH+]1CCC(C(=O)N2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300002919504	0	47	0.0	-62.70	377.49	10.40	-52.30
C[N@@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919526	0	44	0.0	-55.11	360.81	9.91	-45.20
C[N@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919526	1	44	0.0	-58.56	351.02	9.87	-48.69
C[NH+]1CCC(C(=O)N2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300002919544	0	47	0.0	-62.70	377.49	10.40	-52.30
C[C@@H](C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002919561	0	43	0.0	-53.74	353.55	9.34	-44.40
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919562	0	44	0.0	-52.24	354.76	9.42	-42.82
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919562	1	44	0.0	-50.55	358.66	9.84	-40.71
C[C@H](C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002919566	0	43	0.0	-49.50	351.71	9.33	-40.17
C[NH+](C)C1(C(=O)N2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300002919573	0	44	0.0	-55.02	357.48	9.50	-45.52
C[N@@H+]1CCOC(C(=O)N2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002919612	1	45	0.0	-81.60	368.57	9.23	-72.37
C[N@H+]1CCOC(C(=O)N2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002919612	1	45	0.0	-76.85	369.57	9.24	-67.61
C[NH+](C)CC1(C(=O)N2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300002919618	0	47	0.0	-54.62	384.06	10.47	-44.15
C[NH+](C)CCCCC(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919619	0	49	0.0	-64.04	402.18	11.16	-52.88
CC(C)C(C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002919623	0	49	0.0	-53.01	373.42	10.65	-42.36
CCC[N@H+](C)CC(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919626	0	46	0.0	-51.92	375.89	10.41	-41.51
CCC[N@@H+](C)CC(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919626	1	46	0.0	-52.19	375.90	10.40	-41.79
C[N@H+](CC(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1CCC1	REAL300002919629	0	47	0.0	-54.90	383.06	10.98	-43.92
C[N@@H+](CC(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1CCC1	REAL300002919629	1	47	0.0	-55.26	382.96	10.96	-44.30
CC[C@@H](C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002919633	0	46	0.0	-53.37	366.76	10.03	-43.34
CCCC(C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002919654	0	49	0.0	-55.29	387.62	10.71	-44.58
C[C@@H]1[C@H](C(=O)N2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CC[N@@H+]1C	REAL300002919657	0	47	0.0	-61.89	371.88	9.90	-51.99
C[C@@H]1[C@H](C(=O)N2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CC[N@H+]1C	REAL300002919657	1	47	0.0	-60.37	378.90	10.15	-50.22
O=C([O-])[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300002919659	0	44	0.0	-56.17	361.08	10.10	-46.07
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919660	1	42	0.0	-50.06	363.37	10.56	-39.50
CC[NH+](CC)CC(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919676	0	46	0.0	-51.09	372.21	10.31	-40.78
O=C([O-])[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C1=CC=C(Br)C=C1	REAL300002919681	0	45	0.0	-70.39	351.80	9.45	-60.94
CCC(C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002919683	0	46	0.0	-53.21	363.19	9.86	-43.35
C[NH+](C)C1(C(=O)N2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CCC1	REAL300002919695	0	47	0.0	-55.85	366.31	9.83	-46.02
CC(C)[N@H+](C)CC(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919698	0	46	0.0	-49.61	371.08	10.19	-39.42
CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919698	1	46	0.0	-51.01	371.09	10.19	-40.82
CC[N@H+](CC(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1CC1	REAL300002919702	0	47	0.0	-48.18	383.59	11.00	-37.18
CC[N@@H+](CC(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1CC1	REAL300002919702	1	47	0.0	-51.80	382.92	10.95	-40.85
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919705	0	44	0.0	-54.30	359.55	9.75	-44.55
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919705	1	44	0.0	-54.59	353.56	9.46	-45.13
CC(C)(C)[NH2+]CC(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300002919717	0	46	0.0	-52.41	375.10	8.67	-43.74
CC(C)[C@@H](C(=O)N1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002919719	0	49	0.0	-53.98	378.23	10.63	-43.35
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002919841	0	47	0.0	-60.42	385.82	10.68	-49.74
C[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002919848	0	47	0.0	-55.16	370.52	10.47	-44.69
C[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300002919848	1	47	0.0	-53.48	371.06	10.35	-43.13
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCCC(F)C2)C1	REAL300002919878	0	46	0.0	-48.79	343.58	7.86	-40.93
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCCC(F)C2)C1	REAL300002919878	1	46	0.0	-48.05	337.36	7.84	-40.21
COC1=CC=C(N2CCC(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300002919979	0	56	0.0	-51.12	421.87	7.12	-44.00
COC1=CC=C(N2CCC(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300002919979	1	56	0.0	-51.93	422.54	7.14	-44.79
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC2(F)C2=CC=CC=C2)C1	REAL300002920091	0	44	0.0	-50.34	345.96	9.18	-41.16
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CC2(F)C2=CC=CC=C2)C1	REAL300002920091	1	44	0.0	-47.44	342.55	8.44	-39.00
CS(=O)(=O)CCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002920275	0	45	0.0	-60.14	362.78	3.47	-56.67
CS(=O)(=O)CCCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002920275	1	45	0.0	-60.72	363.42	3.50	-57.22
COC1=CC=NC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300002920360	0	42	0.0	-48.46	332.81	3.07	-45.39
COC1=CC=NC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300002920360	1	42	0.0	-49.77	339.01	3.09	-46.68
C=CCN1C=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)N=N1	REAL300002920435	0	43	0.0	-54.67	348.31	5.32	-49.35
C=CCN1C=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)N=N1	REAL300002920435	1	43	0.0	-50.73	341.57	5.28	-45.45
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC=C3Cl)CC2)C1	REAL300002920532	0	44	0.0	-47.09	356.41	9.00	-38.09
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC=C3Cl)CC2)C1	REAL300002920532	1	44	0.0	-44.88	350.18	9.02	-35.86
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CC3CCC2CC3)C1	REAL300002920786	0	50	0.0	-47.62	357.36	8.57	-39.05
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CC3CCC2CC3)C1	REAL300002920786	1	50	0.0	-46.99	357.49	8.56	-38.43
CN1C=NC(CCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300002920860	0	45	0.0	-53.50	351.13	7.21	-46.29
CN1C=NC(CCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300002920860	1	45	0.0	-54.22	357.33	7.23	-46.99
CC1=CC=C([C@@H]2C[C@H]2NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002920941	0	47	0.0	-49.23	365.83	9.50	-39.73
CC1=CC=C([C@@H]2C[C@H]2NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002920941	1	47	0.0	-46.50	358.35	9.06	-37.44
O=C([O-])C1CCC[N@H+](CC(=O)N2C[C@H]3OC4=C(F)C=CC(F)=C4O[C@H]3C2)C1	REAL300002921054	0	47	0.0	-52.30	374.70	8.54	-43.76
O=C([O-])C1CCC[N@@H+](CC(=O)N2C[C@H]3OC4=C(F)C=CC(F)=C4O[C@H]3C2)C1	REAL300002921054	1	47	0.0	-54.02	374.30	8.53	-45.49
O=C([O-])[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002922372	0	51	0.0	-65.04	394.32	11.14	-53.90
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002922392	0	48	0.0	-55.55	379.96	10.74	-44.81
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002922392	1	48	0.0	-50.30	373.92	10.21	-40.09
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](C4=CC=C(F)C=C4F)[C@H](C(=O)[O-])C3)CN12	REAL300002922396	1	49	0.0	-68.09	395.24	11.03	-57.06
C[NH+](C)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922442	0	40	0.0	-57.91	325.12	8.44	-49.47
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922443	0	47	0.0	-52.05	358.65	9.65	-42.40
C[N@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922443	1	47	0.0	-57.78	367.94	10.03	-47.75
CC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300002922444	1	52	0.0	-71.04	400.73	8.27	-62.77
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922473	0	47	0.0	-61.95	366.24	10.57	-51.38
C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922473	1	47	0.0	-62.36	357.77	9.69	-52.67
C[NH+]1CCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CC1	REAL300002922517	0	47	0.0	-64.94	366.84	9.79	-55.15
O=C([O-])[C@@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002922544	0	42	0.0	-71.06	360.13	11.83	-59.23
C[NH+](C)CC1(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CCCCC1	REAL300002922565	0	56	0.0	-58.31	401.68	11.68	-46.63
C[N@H+](CCC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)C1CCCCC1	REAL300002922569	0	56	0.0	-60.95	424.73	12.03	-48.92
C[N@@H+](CCC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)C1CCCCC1	REAL300002922569	1	56	0.0	-60.38	424.73	12.02	-48.36
C[N@@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922580	0	44	0.0	-58.97	345.48	8.97	-50.00
C[N@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922580	1	44	0.0	-61.50	345.31	8.99	-52.51
C[NH+]1CCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CC1	REAL300002922622	0	47	0.0	-64.94	366.84	9.79	-55.15
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922657	1	48	0.0	-60.07	397.20	11.31	-48.76
O=C([O-])[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002922658	1	54	0.0	-68.19	423.39	10.05	-58.14
C[C@@H](C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002922664	0	43	0.0	-59.14	343.68	8.81	-50.33
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922665	0	44	0.0	-57.56	345.32	8.93	-48.63
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922665	1	44	0.0	-55.06	348.76	9.32	-45.74
C[C@H](C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002922669	0	43	0.0	-61.24	342.60	9.31	-51.93
C[NH+](C)C1(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CC1	REAL300002922677	0	44	0.0	-46.55	342.80	8.86	-37.69
CCC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)[NH+](CC)CC	REAL300002922732	0	52	0.0	-56.25	386.36	10.89	-45.36
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C=N1	REAL300002922751	0	49	0.0	-69.81	394.16	9.97	-59.84
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922754	0	58	0.0	-64.17	443.21	12.39	-51.78
C[N@@H+]1CCOC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002922755	1	45	0.0	-63.86	359.47	8.69	-55.17
C[N@H+]1CCOC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002922755	1	45	0.0	-65.33	358.57	8.67	-56.66
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922764	1	48	0.0	-56.78	392.38	11.13	-45.65
C[NH+](C)CC1(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CC1	REAL300002922773	0	47	0.0	-50.47	374.76	10.08	-40.39
C[NH+](C)CCCCC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922778	0	49	0.0	-66.93	390.49	10.60	-56.33
CC(C)C(C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002922787	0	49	0.0	-51.88	368.43	9.99	-41.89
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922804	1	46	0.0	-56.15	375.09	9.64	-46.51
CCC[N@H+](C)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922811	0	46	0.0	-61.93	366.23	9.88	-52.05
CCC[N@@H+](C)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922811	1	46	0.0	-57.43	366.07	9.88	-47.55
C[N@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)C1CCC1	REAL300002922830	0	47	0.0	-54.17	371.36	10.42	-43.75
C[N@@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)C1CCC1	REAL300002922830	1	47	0.0	-60.06	373.08	10.43	-49.63
CC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)[NH+]1CCSCC1	REAL300002922842	1	48	0.0	-61.51	378.65	10.12	-51.39
C[N@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)CC(C)(C)C	REAL300002922843	0	52	0.0	-61.18	394.84	10.88	-50.30
C[N@@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)CC(C)(C)C	REAL300002922843	1	52	0.0	-55.96	394.92	10.98	-44.98
CC[C@@H](C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002922847	0	46	0.0	-61.28	357.86	9.56	-51.72
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002922849	0	51	0.0	-63.52	394.27	8.95	-54.57
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002922849	1	51	0.0	-62.11	384.02	8.70	-53.41
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922869	0	55	0.0	-58.03	430.57	12.22	-45.81
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922869	1	55	0.0	-57.43	428.87	12.19	-45.24
O=C([O-])[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C1=CC=C(F)C=C1F	REAL300002922876	0	48	0.0	-56.92	364.04	9.80	-47.12
O=C([O-])[C@@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002922884	1	42	0.0	-70.20	360.21	11.86	-58.34
C[N@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)C1CCSC1	REAL300002922891	0	48	0.0	-58.62	384.64	10.68	-47.94
C[N@@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)C1CCSC1	REAL300002922891	1	48	0.0	-66.30	386.24	10.71	-55.59
O=C([O-])[C@@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)C[C@H]1C1=CC=C(F)C=C1F	REAL300002922906	0	51	0.0	-56.72	378.86	10.53	-46.19
O=C([O-])[C@@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)C[C@H]1C1=CC=C(F)C=C1F	REAL300002922906	1	51	0.0	-55.15	387.49	11.02	-44.13
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C=N1	REAL300002922907	0	50	0.0	-85.67	406.16	9.61	-76.06
CCCC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002922928	0	49	0.0	-55.46	376.47	10.16	-45.30
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)=N1	REAL300002922937	0	50	0.0	-70.05	408.43	10.21	-59.84
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922938	0	50	0.0	-61.14	399.91	9.58	-51.56
C[C@@H]1[C@H](C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CC[N@@H+]1C	REAL300002922940	0	47	0.0	-63.44	363.15	9.68	-53.76
C[C@@H]1[C@H](C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CC[N@H+]1C	REAL300002922940	1	47	0.0	-66.52	366.63	9.65	-56.87
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922942	1	51	0.0	-58.47	413.00	11.72	-46.75
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CC[N@@H+]1C	REAL300002922944	0	50	0.0	-65.96	380.20	10.01	-55.95
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CC[N@H+]1C	REAL300002922944	1	50	0.0	-64.67	385.82	10.32	-54.35
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922946	0	46	0.0	-56.79	371.80	10.12	-46.67
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922946	1	46	0.0	-64.03	376.44	10.54	-53.49
CC1C[N@H+](C)CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)O1	REAL300002922949	1	48	0.0	-75.42	374.61	9.46	-65.96
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)O1	REAL300002922949	1	48	0.0	-69.27	372.38	9.25	-60.02
O=C([O-])[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002922955	0	44	0.0	-63.29	350.01	10.11	-53.18
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922957	1	42	0.0	-59.08	356.41	10.08	-49.00
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002922959	0	51	0.0	-65.63	397.72	9.06	-56.57
CC1CC[NH+](CC(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CC1	REAL300002922978	0	50	0.0	-61.51	389.56	10.96	-50.55
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002922986	1	48	0.0	-62.22	370.19	9.19	-53.03
CC[N@H+]1CCOC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002922986	1	48	0.0	-45.66	368.64	9.19	-36.47
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923012	0	50	0.0	-62.64	393.77	10.92	-51.72
C[N@H+]1CCCC1CCC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923012	1	50	0.0	-63.36	388.24	10.46	-52.90
O=C([O-])[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923020	0	51	0.0	-76.30	375.21	10.18	-66.12
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923022	0	48	0.0	-51.50	364.75	6.20	-45.30
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923022	1	48	0.0	-59.27	368.65	5.87	-53.40
O=C([O-])[C@@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923023	0	51	0.0	-51.64	391.41	11.27	-40.37
O=C([O-])[C@@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923023	1	51	0.0	-54.23	389.75	11.24	-42.99
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923027	0	54	0.0	-71.80	396.80	9.03	-62.77
CC[NH+](CC)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923038	0	46	0.0	-54.21	360.85	9.79	-44.42
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CC1	REAL300002923040	0	53	0.0	-61.66	401.84	10.97	-50.69
O=C([O-])[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923103	0	45	0.0	-66.06	351.10	8.72	-57.34
CCC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002923106	0	46	0.0	-55.32	354.97	9.40	-45.92
O=C([O-])[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923113	0	48	0.0	-66.26	359.75	9.33	-56.93
O=C([O-])[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923113	1	48	0.0	-55.78	359.59	9.32	-46.46
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923143	0	50	0.0	-53.39	382.57	10.46	-42.93
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)=C1	REAL300002923144	0	50	0.0	-71.18	400.33	12.10	-59.08
C[NH+](C)C1(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CCC1	REAL300002923171	0	47	0.0	-60.21	355.57	9.49	-50.72
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CC1	REAL300002923188	0	49	0.0	-66.38	392.01	10.99	-55.39
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923189	0	53	0.0	-51.40	397.95	11.05	-40.35
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923189	1	53	0.0	-59.53	397.06	11.09	-48.44
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923190	0	50	0.0	-57.84	395.52	11.81	-46.03
CC[NH+]1CCN(CCC(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CC1	REAL300002923191	0	55	0.0	-67.47	422.09	8.93	-58.54
CCN1CC[NH+](CCC(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CC1	REAL300002923191	1	55	0.0	-61.98	424.29	9.03	-52.95
CC(C)[N@H+](C)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923192	0	46	0.0	-59.38	361.41	9.66	-49.72
CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923192	1	46	0.0	-56.42	361.15	9.66	-46.76
CC(C)C(C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300002923193	0	56	0.0	-48.58	412.68	11.82	-36.76
C[NH+](C)C(C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300002923194	1	50	0.0	-57.28	397.33	12.23	-45.05
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923198	1	51	0.0	-58.45	412.38	11.66	-46.79
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923203	0	54	0.0	-55.86	401.30	12.02	-43.84
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923203	1	54	0.0	-58.23	411.72	11.81	-46.42
CC[N@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)C1CC1	REAL300002923205	0	47	0.0	-54.24	366.12	10.01	-44.23
CC[N@@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)C1CC1	REAL300002923205	1	47	0.0	-54.26	371.51	10.40	-43.86
CC(C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300002923218	0	53	0.0	-53.65	395.20	10.86	-42.79
C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923221	0	44	0.0	-56.96	346.37	9.25	-47.71
C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923221	1	44	0.0	-60.17	345.16	8.90	-51.27
CC(C)(C)[NH2+]CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923267	0	46	0.0	-55.86	364.07	8.15	-47.71
O=C([O-])[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923268	0	53	0.0	-65.39	416.46	11.78	-53.61
C[N@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002923270	1	50	0.0	-59.14	403.50	12.06	-47.08
C[N@@H+](CC(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002923270	1	50	0.0	-63.59	403.34	12.01	-51.58
CC(C)[C@@H](C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1)[NH+](C)C	REAL300002923277	0	49	0.0	-62.34	360.54	9.96	-52.38
O=C([O-])[C@@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923290	1	45	0.0	-83.17	381.14	9.55	-73.62
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)=NO1	REAL300002923301	1	46	0.0	-75.41	381.88	9.69	-65.72
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923310	0	50	0.0	-54.73	376.48	10.65	-44.08
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923310	1	50	0.0	-54.04	380.96	10.32	-43.72
C[NH+]1CCC(OCC(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CC1	REAL300002923325	0	51	0.0	-67.70	406.18	10.55	-57.15
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002923434	0	53	0.0	-59.23	400.64	11.39	-47.84
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002923434	1	53	0.0	-71.76	409.03	11.30	-60.46
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923452	0	53	0.0	-57.75	398.75	11.75	-46.00
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=C(F)C=C2F)[C@H](C(=O)[O-])C1	REAL300002923452	1	53	0.0	-59.36	398.64	10.72	-48.64
O=C([O-])[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002923453	0	51	0.0	-58.33	400.26	7.64	-50.69
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002923599	0	53	0.0	-58.77	399.78	10.97	-47.80
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002923599	1	53	0.0	-57.51	393.68	11.14	-46.37
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)N1	REAL300002923617	1	48	0.0	-58.07	397.06	9.78	-48.29
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002923997	0	47	0.0	-65.23	376.06	10.14	-55.09
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)CC1	REAL300002924001	0	53	0.0	-69.21	393.24	10.85	-58.36
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H](C4=CC=C(F)C=C4F)[C@H](C(=O)[O-])C3)=CN12	REAL300002924003	0	45	0.0	-65.94	381.57	11.61	-54.33
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002924041	0	56	0.0	-65.90	416.41	11.92	-53.98
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002924041	1	56	0.0	-60.36	423.08	11.81	-48.55
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002924042	0	50	0.0	-59.73	383.16	10.45	-49.28
CC[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002924042	1	50	0.0	-63.44	385.31	10.48	-52.96
C[N@@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002924047	0	47	0.0	-58.89	360.68	9.93	-48.96
C[N@H+]1CCCC(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002924047	1	47	0.0	-67.35	366.52	10.37	-56.98
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)O1	REAL300002924049	1	47	0.0	-66.36	387.16	10.87	-55.49
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002924055	0	56	0.0	-66.78	410.61	10.93	-55.85
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C3=CC=C(F)C=C3F)[C@H](C(=O)[O-])C2)C1	REAL300002924055	1	56	0.0	-56.64	407.03	10.86	-45.78
O=C([O-])[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002924058	0	49	0.0	-54.61	384.73	10.96	-43.65
O=C([O-])[C@@H]1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300002924058	1	49	0.0	-71.44	378.99	11.71	-59.73
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3CCCCC3)CC2)C1	REAL300002924132	0	56	0.0	-42.80	384.50	10.64	-32.16
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3CCCCC3)CC2)C1	REAL300002924132	1	56	0.0	-45.93	391.97	11.10	-34.83
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CN3C=NN=C3)CC2)C1	REAL300002924251	0	49	0.0	-57.50	368.73	11.00	-46.50
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CN3C=NN=C3)CC2)C1	REAL300002924251	1	49	0.0	-56.81	362.03	10.99	-45.82
COCC1=NN=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCN12	REAL300002924370	0	47	0.0	-54.39	357.07	6.94	-47.45
COCC1=NN=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCN12	REAL300002924370	1	47	0.0	-59.49	363.13	6.98	-52.51
O=C([O-])C1CCC[N@H+](CC(=O)N2CCSC(C3=CC=CC=C3)C2)C1	REAL300002924490	0	48	0.0	-46.75	365.41	10.41	-36.34
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCSC(C3=CC=CC=C3)C2)C1	REAL300002924490	1	48	0.0	-50.31	372.90	10.87	-39.44
CS[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002924576	0	47	0.0	-45.86	359.25	8.29	-37.57
CS[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002924576	1	47	0.0	-47.65	353.75	8.33	-39.32
CC1(C2=CC=CC=C2)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300002924701	0	51	0.0	-49.41	377.72	9.55	-39.86
CC1(C2=CC=CC=C2)CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300002924701	1	51	0.0	-50.13	377.58	9.55	-40.58
CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002924829	0	45	0.0	-57.40	358.81	2.65	-54.75
CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002924829	1	45	0.0	-60.29	359.24	2.74	-57.55
CC1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC(F)=CC=C21	REAL300002924953	0	47	0.0	-42.82	351.86	10.29	-32.53
CC1(C)CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC(F)=CC=C21	REAL300002924953	1	47	0.0	-43.75	350.70	9.85	-33.90
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC2=CC=C(Cl)C=C21	REAL300002925119	0	50	0.0	-50.32	375.46	11.75	-38.57
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC2=CC=C(Cl)C=C21	REAL300002925119	1	50	0.0	-46.58	367.12	11.31	-35.27
COC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300002925258	1	45	0.0	-52.44	362.64	6.70	-45.74
COC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(Cl)=C1OC	REAL300002925258	1	45	0.0	-56.14	363.45	7.16	-48.98
O=C([O-])CC1(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300002926181	0	47	0.0	-67.78	365.75	9.52	-58.26
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CC[NH+](CC)CCNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300002928349	0	41	0.0	-75.70	332.40	7.20	-68.50
CC[NH+](CC)CCNC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C)C=C1	REAL300002928350	0	49	0.0	-80.91	379.24	8.11	-72.80
CC[NH+](CC)CCNC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300002928351	0	49	0.0	-74.24	390.88	8.26	-65.98
CC[NH+](CC)CCNC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300002928352	0	46	0.0	-87.59	365.66	8.42	-79.17
CC[NH+](CC)CCNC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1	REAL300002928353	0	49	0.0	-77.10	379.34	8.37	-68.73
CC[NH+](CC)CCNC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300002928354	0	39	0.0	-76.30	329.99	7.43	-68.87
CC[NH+](CC)CCNC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300002928355	0	49	0.0	-67.77	374.89	10.15	-57.62
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CC[NH+](CC)CCNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300002928357	0	46	0.0	-79.66	356.39	7.26	-72.40
CC[NH+](CC)CCNC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300002928358	0	52	0.0	-71.58	387.03	9.74	-61.84
CC[NH+](CC)CCNC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300002928359	0	48	0.0	-81.88	377.03	7.41	-74.47
CC[NH+](CC)CCNC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300002928360	0	46	0.0	-51.23	348.65	8.86	-42.37
CC[NH+](CC)CCNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300002928361	0	46	0.0	-79.66	356.39	7.26	-72.40
CC[NH+](CC)CCNC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300002928362	0	46	0.0	-92.89	362.27	8.68	-84.21
CC[NH+](CC)CCNC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300002928363	0	43	0.0	-75.30	338.30	8.01	-67.29
CC[NH+](CC)CCNC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300002928364	0	39	0.0	-75.27	338.52	7.40	-67.87
CC[NH+](CC)CCNC(=O)C1=CC(OC)=CC(C(=O)[O-])=C1Cl	REAL300002928365	0	43	0.0	-76.86	341.95	6.22	-70.64
CC[NH+](CC)CCNC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300002928366	0	42	0.0	-81.02	343.87	8.10	-72.92
CC[NH+](CC)CCNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300002928367	0	40	0.0	-64.52	333.88	5.85	-58.67
CC[NH+](CC)CCNC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300002928368	0	40	0.0	-76.28	334.06	5.97	-70.31
CC[NH+](CC)CCNC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300002928369	0	45	0.0	-82.03	340.35	8.62	-73.41
CC[NH+](CC)CCNC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300002928370	0	46	0.0	-67.69	353.25	8.08	-59.61
CC[NH+]1CCN(C(=O)C2CCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])O2)CC1	REAL300002928371	1	49	0.0	-80.17	392.03	6.14	-74.03
CC[NH+]1CCN(C(=O)C2=CC=CC=C2SCC2=C(C(=O)[O-])C=CO2)CC1	REAL300002928372	1	48	0.0	-73.82	389.35	10.51	-63.31
CC[NH+]1CCN(C(=O)C2=CC=CC=C2SC(C)C(=O)[O-])CC1	REAL300002928373	1	44	0.0	-75.63	346.03	9.28	-66.35
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CC[NH+]1CCN(C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002928375	1	45	0.0	-78.64	367.54	4.13	-74.51
CC[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300002928376	1	39	0.0	-62.12	316.33	8.09	-54.03
CC[NH+]1CCN(C(=O)C2=CC=C(N3N=C(C)C(CCC(=O)[O-])=C3C)C=C2)CC1	REAL300002928377	1	56	0.0	-82.12	426.86	11.08	-71.04
CC[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300002928378	1	39	0.0	-62.12	316.33	8.09	-54.03
CC[NH+]1CCN(C(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C)C=C2)CC1	REAL300002928379	1	47	0.0	-82.33	362.29	9.00	-73.33
CC[NH+]1CCN(C(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C(F)(F)F)C=C2)CC1	REAL300002928380	1	47	0.0	-75.25	373.59	9.13	-66.12
CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CC2)CC1	REAL300002928381	1	52	0.0	-93.07	411.51	5.89	-87.18
CC[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300002928382	1	44	0.0	-73.61	344.51	8.59	-65.02
CC[NH+]1CCN(C(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)CC1	REAL300002928383	1	47	0.0	-78.13	362.11	9.24	-68.89
CC[NH+]1CCN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300002928384	1	37	0.0	-61.32	310.29	8.05	-53.27
CC[NH+]1CCN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC1	REAL300002928385	1	47	0.0	-80.72	357.73	11.39	-69.33
CC[NH+]1CCN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC1	REAL300002928386	1	39	0.0	-87.87	316.88	6.45	-81.42
CC[NH+]1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300002928387	1	44	0.0	-73.42	343.26	8.06	-65.36
CC[NH+]1CCN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300002928388	1	50	0.0	-69.87	368.18	10.75	-59.12
CC[NH+]1CCN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300002928389	1	46	0.0	-86.87	356.24	8.30	-78.57
CC[NH+]1CCN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC1	REAL300002928390	1	44	0.0	-62.24	330.50	9.22	-53.02
CC[NH+]1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300002928391	1	44	0.0	-73.42	343.26	8.06	-65.36
CC[NH+]1CCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300002928392	1	44	0.0	-98.01	347.28	9.92	-88.09
CC[NH+]1CCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC1	REAL300002928393	1	41	0.0	-66.03	321.06	8.20	-57.83
CC[NH+]1CCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=C2Cl)CC1	REAL300002928395	1	41	0.0	-74.10	330.29	7.14	-66.96
CC[NH+]1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300002928397	1	38	0.0	-64.21	310.71	6.99	-57.22
CC[NH+]1CCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300002928398	1	38	0.0	-77.57	311.37	7.15	-70.42
CC[NH+]1CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300002928399	1	43	0.0	-79.08	328.74	9.55	-69.53
CN(C(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1CC[NH+](C)CC1	REAL300002928428	0	44	0.0	-82.85	337.52	8.39	-74.46
CN(C(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1CC[NH+](C)CC1	REAL300002928429	0	52	0.0	-76.92	414.34	6.56	-70.36
CN(C(=O)C1=CC=CC=C1SCC1=C(C(=O)[O-])C=CO1)C1CC[NH+](C)CC1	REAL300002928430	0	51	0.0	-87.01	407.35	11.13	-75.88
CC(SC1=CC=CC=C1C(=O)N(C)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300002928431	0	47	0.0	-82.06	365.86	9.97	-72.09
CCOC1=CC(C(=O)N(C)C2CC[NH+](C)CC2)=CC=C1OCC(=O)[O-]	REAL300002928432	0	51	0.0	-82.17	389.70	9.06	-73.11
CN(C(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C)CC1	REAL300002928433	0	46	0.0	-80.21	355.63	9.98	-70.23
CN(C(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C)CC1	REAL300002928434	0	44	0.0	-80.26	343.25	9.68	-70.58
CN(C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C)CC1	REAL300002928435	0	48	0.0	-78.32	388.29	4.84	-73.48
CN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1CC[NH+](C)CC1	REAL300002928436	0	42	0.0	-66.27	335.78	8.78	-57.49
CC1=NN(C2=CC=C(C(=O)N(C)C3CC[NH+](C)CC3)C=C2)C(C)=C1CCC(=O)[O-]	REAL300002928437	0	59	0.0	-81.74	448.41	11.81	-69.93
CN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1CC[NH+](C)CC1	REAL300002928438	0	42	0.0	-66.27	335.78	8.78	-57.49
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N(C)C2CC[NH+](C)CC2)C=C1	REAL300002928439	0	50	0.0	-82.82	380.55	9.65	-73.17
CN(C(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300002928440	0	47	0.0	-81.16	362.88	9.16	-72.00
CN(C(=O)CCC1=CC=CC=C1C(=O)[O-])C1CC[NH+](C)CC1	REAL300002928441	0	46	0.0	-74.53	346.98	9.71	-64.82
CC1=CC(C(=O)N(C)C2CC[NH+](C)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300002928442	0	50	0.0	-79.71	381.00	9.92	-69.79
CN(C(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C1CC[NH+](C)CC1	REAL300002928443	0	40	0.0	-78.26	329.32	8.74	-69.52
CN(C(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])C1CC[NH+](C)CC1	REAL300002928444	0	50	0.0	-83.25	377.27	12.33	-70.92
CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1CC[NH+](C)CC1	REAL300002928445	0	50	0.0	-77.80	341.78	8.68	-69.12
CN(C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1CC[NH+](C)CC1	REAL300002928446	0	42	0.0	-91.68	337.97	7.16	-84.52
CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1CC[NH+](C)CC1	REAL300002928447	0	47	0.0	-79.83	365.19	8.80	-71.03
CN(C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1CC[NH+](C)CC1	REAL300002928448	0	53	0.0	-75.69	388.56	11.39	-64.30
CN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1CC[NH+](C)CC1	REAL300002928449	0	44	0.0	-76.88	337.47	8.39	-68.49
CN(C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300002928450	0	49	0.0	-85.28	376.70	8.98	-76.30
CN(C(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1CC[NH+](C)CC1	REAL300002928451	0	44	0.0	-80.88	338.57	9.41	-71.47
CN(C(=O)C1=CC=CC=C1CCC(=O)[O-])C1CC[NH+](C)CC1	REAL300002928452	0	46	0.0	-78.39	346.50	9.63	-68.76
CN(C(=O)COCC1=C(C(=O)[O-])N=CO1)C1CC[NH+](C)CC1	REAL300002928453	0	43	0.0	-86.10	342.33	4.24	-81.86
CN(C(=O)CCCN1C=CC(C(=O)[O-])=N1)C1CC[NH+](C)CC1	REAL300002928454	0	46	0.0	-94.00	359.24	8.03	-85.97
CN(C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1CC[NH+](C)CC1	REAL300002928455	0	48	0.0	-73.08	332.78	9.94	-63.14
CN(C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C1CC[NH+](C)CC1	REAL300002928456	0	47	0.0	-70.47	356.77	9.99	-60.48
CN(C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1CC[NH+](C)CC1	REAL300002928457	0	47	0.0	-79.83	365.19	8.80	-71.03
CN(C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1CC[NH+](C)CC1	REAL300002928458	0	47	0.0	-94.38	367.58	10.58	-83.80
CN(C(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1CC[NH+](C)CC1	REAL300002928459	0	40	0.0	-75.88	319.82	8.59	-67.29
COC1=CC(C(=O)[O-])=NC(C(=O)N(C)C2CC[NH+](C)CC2)=C1	REAL300002928460	0	43	0.0	-64.08	334.60	6.70	-57.38
CN(C(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1CC[NH+](C)CC1	REAL300002928461	0	46	0.0	-76.59	349.13	9.67	-66.92
CN(C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1CC[NH+](C)CC1	REAL300002928462	0	44	0.0	-79.61	337.93	9.60	-70.01
CN(C(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1CC[NH+](C)CC1	REAL300002928463	0	40	0.0	-82.86	334.47	8.57	-74.29
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N(C)C2CC[NH+](C)CC2)=C1	REAL300002928464	0	44	0.0	-77.67	348.70	7.78	-69.89
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N(C)C1CC[NH+](C)CC1	REAL300002928465	0	43	0.0	-69.62	333.73	8.74	-60.88
CN(C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1CC[NH+](C)CC1	REAL300002928466	0	43	0.0	-90.51	339.82	9.26	-81.25
CN(C(=O)CCC1=CC=CN=C1C(=O)[O-])C1CC[NH+](C)CC1	REAL300002928467	0	45	0.0	-78.24	342.69	7.95	-70.29
CN(C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C1CC[NH+](C)CC1	REAL300002928468	0	44	0.0	-80.30	343.25	9.68	-70.62
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1CC[NH+](C)CC1	REAL300002928469	0	41	0.0	-69.99	330.34	7.78	-62.21
CN(C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1CC[NH+](C)CC1	REAL300002928470	0	41	0.0	-79.42	330.46	7.89	-71.53
CN(C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1CC[NH+](C)CC1	REAL300002928471	0	41	0.0	-71.47	321.59	6.92	-64.55
CN(C(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1CC[NH+](C)CC1	REAL300002928472	0	43	0.0	-81.55	339.03	7.90	-73.65
CN(C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1CC[NH+](C)CC1	REAL300002928473	0	46	0.0	-81.50	347.11	10.21	-71.29
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N(C)C1CC[NH+](C)CC1	REAL300002928474	0	46	0.0	-87.26	350.94	9.64	-77.62
CN(C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1CC[NH+](C)CC1	REAL300002928475	0	43	0.0	-88.48	338.77	9.20	-79.28
CN(C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1CC[NH+](C)CC1	REAL300002928476	0	47	0.0	-75.81	353.56	9.52	-66.29
CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1CC[NH+](C)CC1	REAL300002928477	0	50	0.0	-77.80	341.78	8.68	-69.12
CC1(C)CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC(F)=CC=C2O1	REAL300002928613	0	51	0.0	-48.26	377.73	8.03	-40.23
CC1(C)CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC(F)=CC=C2O1	REAL300002928613	1	51	0.0	-48.05	378.22	8.46	-39.59
CC(C)C[N@H+](C)CCCNC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300002928780	0	49	0.0	-83.52	382.24	8.65	-74.87
CC(C)C[N@@H+](C)CCCNC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300002928780	1	49	0.0	-83.52	382.24	8.64	-74.88
CC(C)C[N@H+](C)CCCNC(=O)C1=CC=CC=C1SC(C)C(=O)[O-]	REAL300002928781	0	52	0.0	-81.63	406.02	10.22	-71.41
CC(C)C[N@@H+](C)CCCNC(=O)C1=CC=CC=C1SC(C)C(=O)[O-]	REAL300002928781	1	52	0.0	-83.91	403.98	10.14	-73.77
CCOC1=CC(C(=O)NCCC[N@H+](C)CC(C)C)=CC=C1OCC(=O)[O-]	REAL300002928782	0	56	0.0	-81.87	433.23	9.33	-72.54
CCOC1=CC(C(=O)NCCC[N@@H+](C)CC(C)C)=CC=C1OCC(=O)[O-]	REAL300002928782	1	56	0.0	-81.87	433.23	9.32	-72.55
CC(C)C[N@H+](C)CCCNC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300002928783	0	51	0.0	-80.07	397.23	9.86	-70.21
CC(C)C[N@@H+](C)CCCNC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300002928783	1	51	0.0	-80.30	397.44	9.85	-70.45
CC(C)C[N@H+](C)CCCNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300002928784	0	49	0.0	-80.20	385.88	9.55	-70.65
CC(C)C[N@@H+](C)CCCNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300002928784	1	49	0.0	-80.22	385.89	9.55	-70.67
CC(C)C[N@H+](C)CCCNC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300002928785	0	53	0.0	-78.88	430.09	4.74	-74.14
CC(C)C[N@@H+](C)CCCNC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300002928785	1	53	0.0	-78.54	430.09	4.74	-73.80
CC(C)C[N@H+](C)CCCNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300002928786	0	47	0.0	-62.97	379.33	9.05	-53.92
CC(C)C[N@@H+](C)CCCNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300002928786	1	47	0.0	-63.00	379.33	9.05	-53.95
CC(C)C[N@H+](C)CCCNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300002928787	0	47	0.0	-62.97	379.33	9.05	-53.92
CC(C)C[N@@H+](C)CCCNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300002928787	1	47	0.0	-63.00	379.33	9.05	-53.95
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCCC[N@@H+](C)CC(C)C)C=C1	REAL300002928788	0	55	0.0	-82.29	426.36	9.92	-72.37
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NCCC[N@H+](C)CC(C)C)C=C1	REAL300002928788	1	55	0.0	-82.22	426.36	9.92	-72.30
CC(C)C[N@H+](C)CCCNC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300002928789	0	52	0.0	-91.61	408.80	9.97	-81.64
CC(C)C[N@@H+](C)CCCNC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300002928789	1	52	0.0	-92.98	408.15	10.02	-82.96
CC(C)C[N@H+](C)CCCNC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300002928790	0	51	0.0	-71.78	388.40	9.59	-62.19
CC(C)C[N@@H+](C)CCCNC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300002928790	1	51	0.0	-72.63	388.68	9.60	-63.03
CC1=CC(C(=O)NCCC[N@@H+](C)CC(C)C)=CC(C)=C1OCC(=O)[O-]	REAL300002928791	0	55	0.0	-78.84	426.45	10.18	-68.66
CC1=CC(C(=O)NCCC[N@H+](C)CC(C)C)=CC(C)=C1OCC(=O)[O-]	REAL300002928791	1	55	0.0	-78.85	426.26	10.21	-68.64
CC(C)C[N@H+](C)CCCNC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300002928792	0	48	0.0	-84.16	375.83	9.04	-75.12
CC(C)C[N@@H+](C)CCCNC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300002928792	1	48	0.0	-84.51	375.83	9.05	-75.46
CC(C)C[N@H+](C)CCCNC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300002928793	0	45	0.0	-77.07	355.69	8.46	-68.61
CC(C)C[N@@H+](C)CCCNC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300002928793	1	45	0.0	-77.01	355.68	8.45	-68.56
CC(C)C[N@H+](C)CCCNC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300002928794	0	48	0.0	-87.05	376.02	9.04	-78.01
CC(C)C[N@@H+](C)CCCNC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300002928794	1	48	0.0	-87.05	376.04	9.04	-78.01
CC1=NC(C(=O)NCCC[N@@H+](C)CC(C)C)=CC=C1C(=O)[O-]	REAL300002928795	0	47	0.0	-66.71	364.83	7.17	-59.54
CC1=NC(C(=O)NCCC[N@H+](C)CC(C)C)=CC=C1C(=O)[O-]	REAL300002928795	1	47	0.0	-66.87	365.01	7.15	-59.72
CC(C)C[N@H+](C)CCCNC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300002928796	0	45	0.0	-79.09	372.45	8.97	-70.12
CC(C)C[N@@H+](C)CCCNC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300002928796	1	45	0.0	-79.13	372.45	8.98	-70.15
CC(C)C[N@H+](C)CCCNC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300002928797	0	48	0.0	-79.82	373.35	9.14	-70.68
CC(C)C[N@@H+](C)CCCNC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300002928797	1	48	0.0	-79.92	373.35	9.14	-70.78
CC(C)C[N@H+](C)CCCNC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300002928798	0	55	0.0	-73.91	417.32	11.71	-62.20
CC(C)C[N@@H+](C)CCCNC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300002928798	1	55	0.0	-75.42	417.55	11.69	-63.73
CC1=COC(CC(=O)[O-])=C1C(=O)NCCC[N@@H+](C)CC(C)C	REAL300002928799	0	48	0.0	-77.46	380.64	7.90	-69.56
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CC(C)C[N@H+](C)CCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300002928821	0	52	0.0	-76.20	393.97	7.18	-69.02
CC(C)C[N@@H+](C)CCCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300002928821	1	52	0.0	-76.05	393.96	7.16	-68.89
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CC(C)C[N@H+](C)CCCNC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300002928852	0	48	0.0	-89.91	380.57	9.06	-80.85
CC(C)C[N@@H+](C)CCCNC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300002928852	1	48	0.0	-89.95	380.58	9.06	-80.89
CC(C)C[N@H+](C)CCCNC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300002928853	0	52	0.0	-69.80	400.35	9.89	-59.91
CC(C)C[N@@H+](C)CCCNC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300002928853	1	52	0.0	-69.79	400.16	9.91	-59.88
CC(C)C[N@H+](C)CCCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300002928854	0	55	0.0	-78.15	394.92	9.26	-68.89
CC(C)C[N@@H+](C)CCCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300002928854	1	55	0.0	-78.00	394.73	9.28	-68.72
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=C3SC=CC3=CC=C2)C1	REAL300002928931	0	43	0.0	-48.46	353.49	8.77	-39.69
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=C3SC=CC3=CC=C2)C1	REAL300002928931	1	43	0.0	-47.90	346.76	8.73	-39.17
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC=C3F)CCC2)C1	REAL300002929056	0	50	0.0	-49.47	374.69	10.37	-39.10
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC=C3F)CCC2)C1	REAL300002929056	1	50	0.0	-48.40	377.28	9.83	-38.57
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(OC3=CC=CC=C3F)=C2)C1	REAL300002929182	0	51	0.0	-52.71	412.60	10.37	-42.34
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(OC3=CC=CC=C3F)=C2)C1	REAL300002929182	1	51	0.0	-52.88	406.40	10.34	-42.54
NS(=O)(=O)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002929303	1	42	0.0	-57.65	344.12	2.25	-55.40
NS(=O)(=O)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002929303	1	42	0.0	-62.54	338.98	2.26	-60.28
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CN(C3=CC=CC=C3)N=C2)C1	REAL300002929653	1	44	0.0	-55.64	342.73	8.48	-47.16
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CN(C3=CC=CC=C3)N=C2)C1	REAL300002929653	1	44	0.0	-52.22	341.91	8.03	-44.19
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C3=CC=CC=C3)C2)C1	REAL300002929769	0	50	0.0	-44.68	364.24	10.46	-34.22
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C3=CC=CC=C3)C2)C1	REAL300002929769	1	50	0.0	-47.95	371.71	10.92	-37.03
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(O)C(F)=C2)C1	REAL300002929856	0	41	0.0	-49.61	327.74	4.63	-44.98
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(O)C(F)=C2)C1	REAL300002929856	1	41	0.0	-53.05	333.95	4.65	-48.40
CC1(C2=CC=CC(F)=C2)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002929965	0	50	0.0	-49.54	379.64	10.65	-38.89
CC1(C2=CC=CC(F)=C2)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002929965	1	50	0.0	-45.92	373.67	10.26	-35.66
COC1=CC(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C(SC)C=C1OC	REAL300002930081	0	55	0.0	-47.80	416.37	9.26	-38.54
COC1=CC(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C(SC)C=C1OC	REAL300002930081	1	55	0.0	-54.16	428.10	10.26	-43.90
COC1=C2N=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)N(C)C2=CC=C1	REAL300002930192	0	47	0.0	-60.81	368.50	9.72	-51.09
COC1=C2N=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)N(C)C2=CC=C1	REAL300002930192	1	47	0.0	-61.65	369.70	9.76	-51.89
CC1=CC(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CC2)=CC=C1F	REAL300002930310	0	50	0.0	-50.65	382.30	10.92	-39.73
CC1=CC(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CC2)=CC=C1F	REAL300002930310	1	50	0.0	-49.08	379.79	10.41	-38.67
CSC1=CC=CC=C1[C@@H](C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002930427	0	47	0.0	-49.05	369.19	9.16	-39.89
CSC1=CC=CC=C1[C@@H](C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002930427	1	47	0.0	-50.42	363.66	9.19	-41.23
CSC1=CC=CC=C1[C@H](C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002930551	0	47	0.0	-49.32	369.80	9.19	-40.13
CSC1=CC=CC=C1[C@H](C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002930551	1	47	0.0	-49.48	364.25	9.20	-40.28
CSC1=CC=C([C@@H](C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002930675	0	47	0.0	-48.80	368.20	9.30	-39.50
CSC1=CC=C([C@@H](C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002930675	1	47	0.0	-50.12	368.31	9.29	-40.83
CN(CCC1=NC=CS1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002930765	0	42	0.0	-50.40	341.19	7.38	-43.02
CN(CCC1=NC=CS1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002930765	1	42	0.0	-51.11	340.82	7.38	-43.73
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(C=C(C4=CC=CC=C4)O3)C2)C1	REAL300002930875	0	51	0.0	-52.14	393.51	11.57	-40.57
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(C=C(C4=CC=CC=C4)O3)C2)C1	REAL300002930875	1	51	0.0	-50.91	393.66	11.57	-39.34
COC1=CC=C(CC2CCCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002930990	0	57	0.0	-49.67	410.55	10.97	-38.70
COC1=CC=C(CC2CCCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300002930990	1	57	0.0	-49.74	417.13	11.00	-38.74
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2CC2=CC=CC=C2F)C1	REAL300002931096	0	53	0.0	-48.59	392.51	11.74	-36.85
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2CC2=CC=CC=C2F)C1	REAL300002931096	1	53	0.0	-48.72	387.98	11.58	-37.14
CN(CCC1=CC=C(Cl)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002931212	0	46	0.0	-48.97	372.87	10.77	-38.20
CN(CCC1=CC=C(Cl)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002931212	1	46	0.0	-49.55	372.76	10.78	-38.77
CN1C=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=C(F)C=C2)C=N1	REAL300002931327	0	50	0.0	-52.38	395.99	8.74	-43.64
CN1C=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=C(F)C=C2)C=N1	REAL300002931327	1	50	0.0	-54.33	396.84	9.20	-45.13
CC(C)C1=NC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300002931402	1	44	0.0	-54.33	344.02	6.45	-47.88
CC(C)C1=NC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300002931402	1	44	0.0	-50.96	336.52	6.00	-44.96
COC1=CC=C(Br)C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002931493	0	47	0.0	-48.40	373.43	10.01	-38.39
COC1=CC=C(Br)C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300002931493	1	47	0.0	-47.72	374.48	9.28	-38.44
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(Cl)=CC=C2OC2CCCC2)C1	REAL300002931590	1	51	0.0	-47.98	394.01	10.15	-37.83
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(Cl)=CC=C2OC2CCCC2)C1	REAL300002931590	1	51	0.0	-48.26	399.40	10.14	-38.12
CC1=CC=CC=C1C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCC(C)CC1	REAL300002931883	0	62	0.0	-45.78	440.39	12.39	-33.39
CC1=CC=CC=C1C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCC(C)CC1	REAL300002931883	1	62	0.0	-49.46	434.54	12.94	-36.52
CC1=CC=C2CCC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300002931966	0	47	0.0	-47.04	360.82	9.31	-37.73
CC1=CC=C2CCC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300002931966	1	47	0.0	-47.84	361.98	9.35	-38.49
CCN1C=C(CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=N1	REAL300002932069	0	52	0.0	-46.43	382.76	8.84	-37.59
CCN1C=C(CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)C)C=N1	REAL300002932069	1	52	0.0	-47.35	383.87	9.31	-38.04
CCCOC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002932163	1	47	0.0	-45.50	355.01	8.03	-37.47
CCCOC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002932163	1	47	0.0	-46.35	356.66	8.47	-37.88
COC1CCCC(C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])C1	REAL300002933114	0	60	0.0	-76.64	445.82	10.56	-66.08
COC1CCCC(C(NC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])C1	REAL300002934315	0	54	0.0	-73.88	394.13	8.18	-65.70
COC1CCCC(C(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)C(=O)[O-])C1	REAL300002934340	1	52	0.0	-63.93	392.29	8.07	-55.86
COC1CCCC(C(NC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])C1	REAL300002934406	1	55	0.0	-72.74	393.56	4.91	-67.83
COC1CCCC(C(NC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])C1	REAL300002934438	0	50	0.0	-62.98	355.27	6.52	-56.46
COC1CCCC(C(NC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])C1	REAL300002934438	1	50	0.0	-59.25	364.59	6.70	-52.55
COC1CCCC(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C1	REAL300002934507	0	50	0.0	-80.70	367.20	6.76	-73.94
COC1CCCC(C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])C1	REAL300002934531	0	45	0.0	-75.28	352.77	8.60	-66.68
COC1CCCC(C(NC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])C1	REAL300002934562	0	59	0.0	-54.26	401.63	8.53	-45.73
COC1CCCC(C(NC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])C1	REAL300002934566	0	59	0.0	-72.06	421.03	8.68	-63.38
COC1CCCC(C(NC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])C1	REAL300002934566	1	59	0.0	-69.39	424.03	8.94	-60.45
COC1CCCC(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])C1	REAL300002934622	0	50	0.0	-80.70	367.20	6.76	-73.94
COC1CCCC(C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(=O)[O-])C1	REAL300002934625	0	53	0.0	-82.17	413.90	7.96	-74.21
COC1CCCC(C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C(=O)[O-])C1	REAL300002934637	0	61	0.0	-59.09	432.73	7.46	-51.63
COC1CCCC(C(NC(=O)CCCN2C=C[NH+]=C2C)C(=O)[O-])C1	REAL300002934666	1	51	0.0	-68.61	396.60	8.26	-60.35
COC1CCCC(C(NC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])C1	REAL300002934667	1	57	0.0	-78.60	420.22	6.76	-71.84
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)C=C1)C(C)C	REAL300002934669	0	62	0.0	-82.87	443.33	10.06	-72.81
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)C=C1)C(C)C	REAL300002934669	1	62	0.0	-84.68	445.83	10.17	-74.51
COC1CCCC(C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C1	REAL300002934707	0	57	0.0	-70.72	430.68	9.71	-61.01
COC1CCCC(C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C1	REAL300002934707	1	57	0.0	-65.00	426.11	9.73	-55.27
COC1CCCC(C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C(=O)[O-])C1	REAL300002934708	0	58	0.0	-83.48	431.34	9.22	-74.26
COC1CCCC(C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C(=O)[O-])C1	REAL300002934732	0	61	0.0	-66.26	417.85	7.07	-59.19
CCC(C(=O)NC(C(=O)[O-])C1CCCC(OC)C1)[NH+](CC)CC	REAL300002934736	0	55	0.0	-57.55	384.54	7.18	-50.37
COC1CCCC(C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002934738	0	56	0.0	-62.52	422.50	9.33	-53.19
COC1CCCC(C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002934738	1	56	0.0	-62.10	416.82	9.18	-52.92
COC1CCCC(C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])C1	REAL300002934758	0	52	0.0	-75.74	394.40	6.92	-68.82
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300002934764	0	61	0.0	-72.92	444.51	9.38	-63.54
COC1CCCC(C(NC(=O)C2C[N@H+](C)CCO2)C(=O)[O-])C1	REAL300002934766	1	48	0.0	-53.97	355.71	5.78	-48.19
COC1CCCC(C(NC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])C1	REAL300002934766	1	48	0.0	-77.19	359.31	5.62	-71.57
COC1CCCC(C(NC(=O)CN2C=C[NH+]=C2C(C)C)C(=O)[O-])C1	REAL300002934774	1	51	0.0	-59.28	390.41	8.06	-51.22
COC1CCCC(C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(=O)[O-])C1	REAL300002934789	0	57	0.0	-88.34	425.60	9.75	-78.59
COC1CCCC(C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(=O)[O-])C1	REAL300002934794	0	60	0.0	-78.58	442.34	10.45	-68.13
COC1CCCC(C(NC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])C1	REAL300002934799	0	50	0.0	-56.07	375.61	6.84	-49.23
COC1CCCC(C(NC(=O)CCCC[NH+](C)C)C(=O)[O-])C1	REAL300002934807	0	52	0.0	-77.66	387.32	7.29	-70.37
COC1CCCC(C(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])C1	REAL300002934828	1	51	0.0	-84.41	397.71	7.05	-77.36
COC1CCCC(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])C1	REAL300002934831	0	60	0.0	-85.81	446.95	10.63	-75.18
COC1CCCC(C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])C1	REAL300002934843	1	53	0.0	-81.78	406.47	7.35	-74.43
COC1CCCC(C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])C1	REAL300002934844	0	56	0.0	-91.31	422.59	9.52	-81.79
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300002934850	1	49	0.0	-62.08	376.84	6.43	-55.65
COC1CCCC(C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C1	REAL300002934851	1	58	0.0	-76.21	434.63	9.27	-66.94
COC1CCCC(C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])C1	REAL300002934851	1	58	0.0	-80.09	429.63	8.97	-71.12
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300002934858	0	49	0.0	-61.26	363.92	6.74	-54.52
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300002934858	1	49	0.0	-63.68	366.77	6.74	-56.94
COC1CCCC(C(NC(=O)C[N@H+](C)C2CCC2)C(=O)[O-])C1	REAL300002934872	0	50	0.0	-62.25	368.76	7.08	-55.17
COC1CCCC(C(NC(=O)C[N@@H+](C)C2CCC2)C(=O)[O-])C1	REAL300002934872	1	50	0.0	-58.25	370.90	7.30	-50.95
COC1CCCC(C(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-])C1	REAL300002934899	0	55	0.0	-63.94	392.39	7.64	-56.30
COC1CCCC(C(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])C1	REAL300002934899	1	55	0.0	-62.58	397.68	7.90	-54.68
COC1CCCC(C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300002934901	0	56	0.0	-63.88	423.82	9.75	-54.13
COC1CCCC(C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(=O)[O-])C1	REAL300002934901	1	56	0.0	-66.26	421.09	9.60	-56.66
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300002934902	0	60	0.0	-69.42	453.79	5.97	-63.45
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300002934902	1	60	0.0	-74.05	450.80	5.71	-68.34
CC[C@@H](C(=O)NC(C(=O)[O-])C1CCCC(OC)C1)[NH+](C)C	REAL300002934905	0	49	0.0	-60.12	352.88	6.15	-53.97
COC1CCCC(C(NC(=O)CC2(O)CCC[N@H+](C)C2)C(=O)[O-])C1	REAL300002934907	0	54	0.0	-72.58	379.69	5.41	-67.17
COC1CCCC(C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C(=O)[O-])C1	REAL300002934907	1	54	0.0	-71.30	394.98	5.75	-65.55
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300002934919	0	58	0.0	-64.67	431.28	9.10	-55.57
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300002934919	1	58	0.0	-62.15	428.40	9.08	-53.07
COC1CCCC(C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])C1	REAL300002934933	1	45	0.0	-82.71	353.05	8.62	-74.09
COC1CCCC(C(NC(=O)C[N@H+](C)C2CCSC2)C(=O)[O-])C1	REAL300002934944	0	51	0.0	-64.97	383.95	7.57	-57.40
COC1CCCC(C(NC(=O)C[N@@H+](C)C2CCSC2)C(=O)[O-])C1	REAL300002934944	1	51	0.0	-69.27	381.43	7.40	-61.87
COC1CCCC(C(NC(=O)CCN2CC[NH+](C(C)C)CC2)C(=O)[O-])C1	REAL300002934958	0	61	0.0	-77.00	437.78	6.11	-70.89
COC1CCCC(C(NC(=O)CC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])C1	REAL300002934958	1	61	0.0	-69.38	433.61	6.13	-63.25
COC1CCCC(C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C(=O)[O-])C1	REAL300002934959	0	64	0.0	-74.69	459.46	7.07	-67.62
COC1CCCC(C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])C1	REAL300002934959	1	64	0.0	-73.80	455.31	6.94	-66.86
COC1CCCC(C(NC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])C1	REAL300002934960	0	54	0.0	-59.76	387.04	7.95	-51.81
COC1CCCC(C(NC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])C1	REAL300002934960	1	54	0.0	-55.38	390.02	8.30	-47.08
COC1CCCC(C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C(=O)[O-])C1	REAL300002934962	0	53	0.0	-84.89	406.25	6.66	-78.23
COC1CCCC(C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(=O)[O-])C1	REAL300002934967	0	59	0.0	-71.18	441.66	8.78	-62.40
COC1CCCC(C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(=O)[O-])C1	REAL300002934967	1	59	0.0	-71.21	438.49	8.48	-62.73
COC1CCCC(C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])C1	REAL300002934972	1	57	0.0	-58.97	423.84	9.84	-49.13
COC1CCCC(C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])C1	REAL300002934972	1	57	0.0	-62.44	418.65	9.60	-52.84
COC1CCCC(C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C1	REAL300002934990	0	60	0.0	-75.64	448.36	10.65	-64.99
COC1CCCC(C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C1	REAL300002934990	1	60	0.0	-77.37	453.11	10.54	-66.83
COC1CCCC(C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C(=O)[O-])C1	REAL300002935003	0	53	0.0	-89.91	410.16	6.99	-82.92
COC1CCCC(C(NC(=O)C2=CC=NN2CC[NH+](C)C)C(=O)[O-])C1	REAL300002935004	0	53	0.0	-63.90	402.85	6.56	-57.34
COC1CCCC(C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(=O)[O-])C1	REAL300002935006	0	50	0.0	-72.37	362.41	6.26	-66.11
COC1CCCC(C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(=O)[O-])C1	REAL300002935006	1	50	0.0	-67.41	362.53	6.78	-60.63
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300002935007	1	54	0.0	-63.84	411.57	8.57	-55.27
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC[N@@H+]1C	REAL300002935010	0	53	0.0	-76.40	380.44	6.75	-69.65
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC[N@H+]1C	REAL300002935010	1	53	0.0	-69.14	383.01	7.28	-61.86
COC1CCCC(C(NC(=O)C2C[N@H+](C)CC(C)O2)C(=O)[O-])C1	REAL300002935017	1	51	0.0	-81.37	377.35	6.64	-74.73
COC1CCCC(C(NC(=O)C2C[N@@H+](C)CC(C)O2)C(=O)[O-])C1	REAL300002935017	1	51	0.0	-85.16	375.05	6.25	-78.91
COC1CCCC(C(NC(=O)CN2C=C[NH+]=C2C)C(=O)[O-])C1	REAL300002935024	1	45	0.0	-61.66	356.97	6.95	-54.71
COC1CCCC(C(NC(=O)C(C)C[NH+]2CCOCC2)C(=O)[O-])C1	REAL300002935026	0	54	0.0	-71.14	398.90	6.08	-65.06
COC1CCCC(C(NC(=O)C[NH+]2CCC(C)CC2)C(=O)[O-])C1	REAL300002935041	0	53	0.0	-63.80	384.90	7.66	-56.14
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)C1	REAL300002935052	1	51	0.0	-73.17	373.51	6.42	-66.75
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)C1	REAL300002935052	1	51	0.0	-69.19	375.71	6.34	-62.85
COC1CCCC(C(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)C(=O)[O-])C1	REAL300002935081	1	60	0.0	-80.59	443.74	8.73	-71.86
COC1CCCC(C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])C1	REAL300002935082	0	60	0.0	-68.34	430.67	9.26	-59.08
COC1CCCC(C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])C1	REAL300002935082	1	60	0.0	-69.78	433.15	9.24	-60.54
COC1CCCC(C(NC(=O)CCC2CCC[N@@H+]2C)C(=O)[O-])C1	REAL300002935088	0	53	0.0	-65.22	381.83	7.34	-57.88
COC1CCCC(C(NC(=O)CCC2CCC[N@H+]2C)C(=O)[O-])C1	REAL300002935088	1	53	0.0	-76.14	394.93	7.82	-68.32
COC1CCCC(C(NC(=O)C2CCC3CCCC[N@@H+]32)C(=O)[O-])C1	REAL300002935099	0	54	0.0	-54.85	390.44	8.44	-46.41
COC1CCCC(C(NC(=O)C2CCC3CCCC[N@H+]32)C(=O)[O-])C1	REAL300002935099	1	54	0.0	-60.80	383.97	7.55	-53.25
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1CCCC(OC)C1	REAL300002935118	0	49	0.0	-61.76	353.54	6.25	-55.51
COC1CCCC(C(NC(=O)C2CC[NH+](C(C)C)CC2)C(=O)[O-])C1	REAL300002935120	0	56	0.0	-76.12	400.83	8.01	-68.11
COC1CCCC(C(NC(=O)C23CC[NH+](CC2)C3)C(=O)[O-])C1	REAL300002935186	0	48	0.0	-68.43	351.99	5.81	-62.62
CCC(C(=O)NC(C(=O)[O-])C1CCCC(OC)C1)[NH+](C)C	REAL300002935189	0	49	0.0	-65.11	353.02	6.10	-59.01
COC1CCCC(C(NC(=O)C23CC[N@H+](C2)CCC3)C(=O)[O-])C1	REAL300002935196	0	51	0.0	-76.11	364.18	6.31	-69.80
COC1CCCC(C(NC(=O)C23CC[N@@H+](C2)CCC3)C(=O)[O-])C1	REAL300002935196	1	51	0.0	-73.98	364.20	6.31	-67.67
COC1CCCC(C(NC(=O)C[NH+]2C(C)CCC2C)C(=O)[O-])C1	REAL300002935235	0	53	0.0	-61.98	379.75	7.10	-54.88
COC1CCCC(C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])C1	REAL300002935236	0	53	0.0	-81.82	400.77	8.60	-73.22
COC1CCCC(C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C1	REAL300002935237	0	60	0.0	-62.71	438.43	10.91	-51.80
COC1CCCC(C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])C1	REAL300002935237	1	60	0.0	-63.95	436.72	10.52	-53.43
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300002935291	0	52	0.0	-77.45	397.30	8.20	-69.25
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300002935293	0	58	0.0	-75.47	423.29	5.98	-69.49
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2CCCC(OC)C2)CC1	REAL300002935293	1	58	0.0	-70.64	421.21	5.75	-64.89
COC1CCCC(C(NC(=O)C[N@H+](C)C(C)C)C(=O)[O-])C1	REAL300002935294	0	49	0.0	-61.76	361.96	6.54	-55.22
COC1CCCC(C(NC(=O)C[N@@H+](C)C(C)C)C(=O)[O-])C1	REAL300002935294	1	49	0.0	-62.82	357.06	6.30	-56.52
COC1CCCC(C(NC(=O)CCN2C=C[NH+]=C2C(C)C)C(=O)[O-])C1	REAL300002935299	1	54	0.0	-64.99	407.36	8.31	-56.68
CC[N@H+](CC(=O)NC(C(=O)[O-])C1CCCC(OC)C1)C1CC1	REAL300002935306	0	50	0.0	-64.38	363.03	6.74	-57.64
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1CCCC(OC)C1)C1CC1	REAL300002935306	1	50	0.0	-62.31	363.34	7.07	-55.24
COC1CCCC(C(NC(=O)C(C)[NH+]2CCCCCC2)C(=O)[O-])C1	REAL300002935333	0	56	0.0	-58.95	390.99	7.62	-51.33
COC1CCCC(C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C(=O)[O-])C1	REAL300002935370	1	58	0.0	-83.80	436.71	9.41	-74.39
COC1CCCC(C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C(=O)[O-])C1	REAL300002935370	1	58	0.0	-86.80	435.75	9.01	-77.79
COC1CCCC(C(NC(=O)C[NH2+]C(C)(C)C)C(=O)[O-])C1	REAL300002935406	0	49	0.0	-61.93	360.91	4.88	-57.05
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)O1	REAL300002935408	0	56	0.0	-78.62	425.81	8.65	-69.97
COC1CCCC(C(NC(=O)CCCC[NH+]2CCCC2)C(=O)[O-])C1	REAL300002935409	0	56	0.0	-76.64	413.94	8.41	-68.23
COC1CCCC(C(NC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)C(=O)[O-])C1	REAL300002935411	1	59	0.0	-75.27	435.97	8.24	-67.03
COC1CCCC(C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002935412	1	53	0.0	-67.15	404.20	8.93	-58.22
COC1CCCC(C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])C1	REAL300002935412	1	53	0.0	-68.27	399.30	8.69	-59.58
COC1CCCC(C(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])C1	REAL300002935437	1	48	0.0	-82.36	381.25	6.61	-75.75
COC1CCCC(C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C(=O)[O-])C1	REAL300002935459	1	49	0.0	-84.86	381.74	6.14	-78.72
COC1CCCC(C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])C1	REAL300002935463	0	60	0.0	-78.84	447.67	10.26	-68.58
COC1CCCC(C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])C1	REAL300002935463	1	60	0.0	-73.97	442.24	9.95	-64.02
COC1CCCC(C(NC(=O)C2CCC[N@@H+]2C(C)C)C(=O)[O-])C1	REAL300002935476	0	53	0.0	-58.78	382.50	7.62	-51.16
COC1CCCC(C(NC(=O)C2CCC[N@H+]2C(C)C)C(=O)[O-])C1	REAL300002935476	1	53	0.0	-58.80	372.32	7.57	-51.23
COC1CCCC(C(NC(=O)COC2CC[NH+](C)CC2)C(=O)[O-])C1	REAL300002935494	0	54	0.0	-81.50	407.49	7.43	-74.07
COC1CCCC(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(=O)[O-])C1	REAL300002935499	0	57	0.0	-78.46	430.83	9.02	-69.44
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)C1	REAL300002935647	0	56	0.0	-69.13	409.35	8.37	-60.76
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)C1	REAL300002935647	1	56	0.0	-69.81	406.34	8.11	-61.70
COC1CCCC(C(NC(=O)C[NH+]2CCC(CO)CC2)C(=O)[O-])C1	REAL300002935672	1	54	0.0	-65.63	396.39	4.28	-61.35
COC1CCCC(C(NC(=O)C2CCC[N@@H+](C(C)C)C2)C(=O)[O-])C1	REAL300002935848	0	56	0.0	-67.57	406.42	8.12	-59.45
COC1CCCC(C(NC(=O)C2CCC[N@H+](C(C)C)C2)C(=O)[O-])C1	REAL300002935848	1	56	0.0	-54.43	393.16	8.24	-46.19
COC1CCCC(C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C(=O)[O-])C1	REAL300002935849	0	50	0.0	-77.35	380.93	7.00	-70.35
COC1CCCC(C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(=O)[O-])C1	REAL300002935849	1	50	0.0	-75.65	372.18	6.80	-68.85
COC1CCCC(C(NC(=O)CCC2=[NH+]C(C)=C(C)N2)C(=O)[O-])C1	REAL300002935873	1	51	0.0	-65.50	392.18	6.45	-59.05
COC1CCCC(C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(=O)[O-])C1	REAL300002936264	0	56	0.0	-80.99	428.18	9.65	-71.34
COC1CCCC(C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])C1	REAL300002936271	0	57	0.0	-88.90	430.56	8.39	-80.51
COC1CCCC(C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C(=O)[O-])C1	REAL300002936386	0	50	0.0	-68.28	375.18	7.19	-61.09
COC1CCCC(C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(=O)[O-])C1	REAL300002936390	0	56	0.0	-73.59	393.93	7.81	-65.78
COC1CCCC(C(NC(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C(=O)[O-])C1	REAL300002936394	0	48	0.0	-71.56	374.20	8.38	-63.18
COC1CCCC(C(NC(=O)C2CCC[N@H+](CC(C)C)C2)C(=O)[O-])C1	REAL300002936444	0	59	0.0	-58.76	419.85	9.26	-49.50
COC1CCCC(C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)C(=O)[O-])C1	REAL300002936444	1	59	0.0	-64.04	419.74	9.22	-54.82
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)C1	REAL300002936445	0	53	0.0	-70.24	389.78	7.61	-62.63
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCCC(OC)C2)C1	REAL300002936445	1	53	0.0	-59.76	383.52	7.83	-51.93
COC1CCCC(C(NC(=O)C2CCC[N@H+](C)C2)C(=O)[O-])C1	REAL300002936449	0	50	0.0	-59.53	365.85	7.17	-52.36
COC1CCCC(C(NC(=O)C2CCC[N@@H+](C)C2)C(=O)[O-])C1	REAL300002936449	1	50	0.0	-63.86	360.96	6.93	-56.93
COC1CCCC(C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C(=O)[O-])C1	REAL300002936451	1	50	0.0	-80.91	388.08	7.33	-73.58
COC1CCCC(C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(=O)[O-])C1	REAL300002936459	1	52	0.0	-64.97	383.45	7.56	-57.41
COC1CCCC(C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(=O)[O-])C1	REAL300002936459	1	52	0.0	-65.76	376.40	7.91	-57.85
O=C([O-])C1=CN(CCNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=N1	REAL300002937784	0	50	0.0	-96.51	400.32	10.35	-86.16
O=C([O-])C1=CN(CCNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=N1	REAL300002938554	0	47	0.0	-88.50	384.65	9.82	-78.68
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CN1CC[NH+](CC2=CC=C(C(=O)NCCN3C=NC(C(=O)[O-])=C3)C=C2)CC1	REAL300002940453	1	52	0.0	-98.23	415.48	7.90	-90.33
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CCC[N@H+]1CCCCC1C(=O)NCCN1C=NC(C(=O)[O-])=C1	REAL300002940647	1	46	0.0	-84.08	360.52	8.09	-75.99
C[NH+](C)CC1=CC=CC=C1C(=O)NCCN1C=NC(C(=O)[O-])=C1	REAL300002940649	0	43	0.0	-77.33	350.07	8.83	-68.50
CC[NH+]1CCN(CCC(=O)NCCN2C=NC(C(=O)[O-])=C2)CC1	REAL300002940651	0	48	0.0	-90.54	377.35	5.74	-84.80
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CC(C)C(C(=O)NCCN1C=NC(C(=O)[O-])=C1)[NH+]1CCCCC1	REAL300002940653	0	49	0.0	-83.02	364.88	9.09	-73.93
C[NH+](C)C(C(=O)NCCN1C=NC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300002940654	1	43	0.0	-86.79	353.93	8.60	-78.19
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O=C([O-])C1=CN(CCNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300002940658	1	48	0.0	-88.29	392.45	6.52	-81.77
CC(C)C1=[NH+]C=CN1CCC(=O)NCCN1C=NC(C(=O)[O-])=C1	REAL300002940664	1	44	0.0	-83.44	364.68	8.27	-75.17
C[NH+](C)CC1=C(C(=O)NCCN2C=NC(C(=O)[O-])=C2)OC2=CC=CC=C21	REAL300002940665	0	46	0.0	-80.70	384.51	8.95	-71.75
O=C([O-])C1=CN(CCNC(=O)C2CCC[N@@H+]2C2CCCC2)C=N1	REAL300002940670	0	47	0.0	-88.08	355.26	8.47	-79.61
O=C([O-])C1=CN(CCNC(=O)C2CCC[N@H+]2C2CCCC2)C=N1	REAL300002940670	1	47	0.0	-85.95	365.19	8.50	-77.45
CC(C)C(C(=O)NCCN1C=NC(C(=O)[O-])=C1)[NH+]1CC(C)OC(C)C1	REAL300002940699	1	53	0.0	-83.52	401.02	7.61	-75.91
CC(C(=O)NCCN1C=NC(C(=O)[O-])=C1)[NH+]1CCCCCC1	REAL300002940700	0	46	0.0	-85.07	350.33	7.90	-77.17
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCCN3C=NC(C(=O)[O-])=C3)=CC=C1N2	REAL300002940736	1	48	0.0	-95.07	392.19	9.04	-86.03
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCCN3C=NC(C(=O)[O-])=C3)=CC=C1N2	REAL300002940736	1	48	0.0	-95.19	392.39	9.01	-86.18
CC[NH+](CC)CC1=CC=C(C(=O)NCCN2C=NC(C(=O)[O-])=C2)O1	REAL300002940794	0	46	0.0	-93.87	379.10	8.30	-85.57
O=C([O-])C1=CN(CCNC(=O)CCCC[NH+]2CCCC2)C=N1	REAL300002940795	0	46	0.0	-89.91	370.57	8.43	-81.48
CC1=CC=C(N2CCC(C(=O)NCCN3C=NC(C(=O)[O-])=C3)CC2)[NH+]=C1	REAL300002940797	1	49	0.0	-88.23	393.28	8.19	-80.04
C[N@H+](CC(=O)NCCN1C=NC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002940798	1	43	0.0	-93.37	355.90	8.70	-84.67
C[N@@H+](CC(=O)NCCN1C=NC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002940798	1	43	0.0	-93.30	355.90	8.71	-84.59
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCCN3C=NC(C(=O)[O-])=C3)C=C2)CC1	REAL300002940802	0	55	0.0	-95.88	425.41	8.96	-86.92
C[NH+](C)CC1=CC(C(=O)NCCN2C=NC(C(=O)[O-])=C2)=NO1	REAL300002940845	1	39	0.0	-95.32	337.34	6.08	-89.24
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCCN1C=NC(C(=O)[O-])=C1	REAL300002940851	0	50	0.0	-95.94	403.94	10.09	-85.85
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCCN1C=NC(C(=O)[O-])=C1	REAL300002940851	1	50	0.0	-91.75	401.24	10.15	-81.60
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCCN2C=NC(C(=O)[O-])=C2)C=C1	REAL300002940875	0	51	0.0	-96.28	421.73	9.59	-86.69
C[NH+]1CCC(OCC(=O)NCCN2C=NC(C(=O)[O-])=C2)CC1	REAL300002940892	0	44	0.0	-95.89	359.19	7.20	-88.69
O=C([O-])C1=CN(CCNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=N1	REAL300002940898	0	47	0.0	-95.35	384.33	8.70	-86.65
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCCN2C=NC(C(=O)[O-])=C2)[C@@H](C(F)(F)F)C1	REAL300002940939	0	49	0.0	-93.15	393.12	8.28	-84.87
CC(C)(C)[N@H+]1C[C@H](C(=O)NCCN2C=NC(C(=O)[O-])=C2)[C@@H](C(F)(F)F)C1	REAL300002940939	1	49	0.0	-88.50	391.86	8.40	-80.10
CCC[N@@H+]1CCCC(C(=O)NCCN2C=NC(C(=O)[O-])=C2)C1	REAL300002941083	0	46	0.0	-88.24	362.98	8.14	-80.10
CCC[N@H+]1CCCC(C(=O)NCCN2C=NC(C(=O)[O-])=C2)C1	REAL300002941083	1	46	0.0	-88.26	362.99	8.14	-80.12
CC(C)C[N@@H+]1CCCC1C(=O)NCCN1C=NC(C(=O)[O-])=C1	REAL300002941115	0	46	0.0	-85.26	363.90	8.32	-76.94
CC(C)C[N@H+]1CCCC1C(=O)NCCN1C=NC(C(=O)[O-])=C1	REAL300002941115	1	46	0.0	-85.44	363.88	8.32	-77.12
O=C([O-])C1=CN(CCNC(=O)C[NH+]2CCC(CO)CC2)C=N1	REAL300002941118	1	44	0.0	-90.25	353.03	4.29	-85.96
O=C([O-])C1=CN(CCNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=N1	REAL300002941212	0	51	0.0	-94.32	408.15	10.60	-83.72
O=C([O-])C1=CN(CCNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=N1	REAL300002941212	1	51	0.0	-97.60	409.04	10.58	-87.02
O=C([O-])C1=CN(CCNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C=N1	REAL300002941250	1	50	0.0	-87.04	404.33	10.34	-76.70
O=C([O-])C1=CN(CCNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C=N1	REAL300002941250	1	50	0.0	-91.87	404.27	10.34	-81.53
CC(C)[N@@H+]1CCCC(C(=O)NCCN2C=NC(C(=O)[O-])=C2)C1	REAL300002941339	0	46	0.0	-80.29	351.89	8.10	-72.19
CC(C)[N@H+]1CCCC(C(=O)NCCN2C=NC(C(=O)[O-])=C2)C1	REAL300002941339	1	46	0.0	-80.30	351.87	8.10	-72.20
C[N@@H+]1CC(C(=O)NCCN2C=NC(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300002941340	0	40	0.0	-101.07	343.52	6.84	-94.23
C[N@H+]1CC(C(=O)NCCN2C=NC(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300002941340	1	40	0.0	-97.41	336.73	6.62	-90.79
CC1=C(C)[NH+]=C(CCC(=O)NCCN2C=NC(C(=O)[O-])=C2)N1	REAL300002941366	1	41	0.0	-84.20	349.48	6.40	-77.80
C[NH+](C)CCC1=CC=CC(C(=O)NCCN2C=NC(C(=O)[O-])=C2)=C1	REAL300002941840	0	46	0.0	-92.26	379.89	9.44	-82.82
C[NH+](C)CCOC1=CC=C(C(=O)NCCN2C=NC(C(=O)[O-])=C2)C=C1	REAL300002941846	0	47	0.0	-97.10	387.18	8.38	-88.72
O=C([O-])C1=CN(CCNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=N1	REAL300002941936	0	53	0.0	-88.06	418.95	11.05	-77.01
CC1C[N@H+](CC2=CC=C(C(=O)NCCN3C=NC(C(=O)[O-])=C3)C=C2)CCO1	REAL300002941938	1	51	0.0	-99.74	404.75	8.77	-90.97
CC1C[N@@H+](CC2=CC=C(C(=O)NCCN3C=NC(C(=O)[O-])=C3)C=C2)CCO1	REAL300002941938	1	51	0.0	-99.89	404.81	8.77	-91.12
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCN2C=NC(C(=O)[O-])=C2)CC1	REAL300002941981	0	46	0.0	-82.43	351.54	7.80	-74.63
CC(C)C[N@@H+]1CCCC(C(=O)NCCN2C=NC(C(=O)[O-])=C2)C1	REAL300002942047	0	49	0.0	-81.71	374.16	9.01	-72.70
CC(C)C[N@H+]1CCCC(C(=O)NCCN2C=NC(C(=O)[O-])=C2)C1	REAL300002942047	1	49	0.0	-81.66	374.12	9.04	-72.62
C[NH+](C)CC1=CC=C(C(=O)NCCN2C=NC(C(=O)[O-])=C2)O1	REAL300002942052	1	40	0.0	-96.64	342.73	6.84	-89.80
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCN2C=NC(C(=O)[O-])=C2)C1	REAL300002942057	0	49	0.0	-90.53	369.23	8.23	-82.30
C[N@H+]1CCCC(C(C)(C)C(=O)NCCN2C=NC(C(=O)[O-])=C2)C1	REAL300002942057	1	49	0.0	-90.74	369.24	8.25	-82.49
O=C([O-])C1=CN(CCNC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=N1	REAL300002942060	0	42	0.0	-87.24	336.18	7.73	-79.51
O=C([O-])C1=CN(CCNC(=O)C23CC(C2)C[N@H+]3C2CC2)C=N1	REAL300002942060	1	42	0.0	-89.95	337.28	8.44	-81.51
CCCC1CCC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002942125	0	55	0.0	-45.68	392.63	10.87	-34.81
CCCC1CCC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002942125	1	55	0.0	-46.31	380.92	10.88	-35.43
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC3=CC(O)=CC=C3C2)C1	REAL300002942281	0	46	0.0	-51.84	352.78	5.76	-46.08
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC3=CC(O)=CC=C3C2)C1	REAL300002942281	1	46	0.0	-52.23	352.62	5.76	-46.47
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC=C(C3=CC=CO3)C2)C1	REAL300002942443	0	45	0.0	-51.87	348.92	9.18	-42.69
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC=C(C3=CC=CO3)C2)C1	REAL300002942443	1	45	0.0	-51.24	348.95	9.15	-42.09
CCC1=NOC=C1CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002942527	0	45	0.0	-53.37	346.02	8.64	-44.73
CCC1=NOC=C1CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002942527	1	45	0.0	-53.96	345.99	8.65	-45.31
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC[C@@H]1C[C@H]1C1CCCCC1	REAL300002942626	0	53	0.0	-47.06	385.65	9.87	-37.19
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC[C@@H]1C[C@H]1C1CCCCC1	REAL300002942626	1	53	0.0	-46.95	391.95	9.84	-37.11
O=C([O-])C1CCC[N@H+](CC(=O)NC2(CF)CCOCC2)C1	REAL300002942690	0	44	0.0	-45.77	318.79	5.25	-40.52
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(CF)CCOCC2)C1	REAL300002942690	1	44	0.0	-48.14	320.23	5.77	-42.37
CC1=C(Br)C=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002942791	0	43	0.0	-47.43	345.90	8.42	-39.01
CC1=C(Br)C=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002942791	1	43	0.0	-49.14	352.46	8.75	-40.39
CC(CNC(=O)C1=CC=C(C(=O)[O-])C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942931	1	47	0.0	-75.68	358.48	7.01	-68.67
CC(CNC(=O)C1=CC=C(C(=O)[O-])C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942931	1	47	0.0	-75.55	352.06	7.07	-68.48
CC(CNC(=O)C1=CC=CC(OCC(=O)[O-])=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942932	1	51	0.0	-82.68	391.52	7.62	-75.06
CC(CNC(=O)C1=CC=CC(OCC(=O)[O-])=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942932	1	51	0.0	-82.79	383.37	7.35	-75.44
CC(CNC(=O)C1=CC=CC(C(=O)[O-])=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942933	1	47	0.0	-86.45	358.49	7.00	-79.45
CC(CNC(=O)C1=CC=CC(C(=O)[O-])=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942933	1	47	0.0	-85.43	350.40	6.93	-78.50
CC(CNC(=O)C1=CC=CC=C1SC(C)C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942936	1	54	0.0	-80.75	413.61	8.89	-71.86
CC(CNC(=O)C1=CC=CC=C1SC(C)C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942936	1	54	0.0	-81.02	408.85	8.76	-72.26
CCOC1=CC(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)=CC=C1OCC(=O)[O-]	REAL300002942937	1	58	0.0	-81.01	442.47	8.30	-72.71
CCOC1=CC(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)=CC=C1OCC(=O)[O-]	REAL300002942937	1	58	0.0	-81.30	432.79	7.94	-73.36
CC(CNC(=O)CCC1=CC=C(C(=O)[O-])C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942938	1	53	0.0	-79.97	404.55	8.49	-71.48
CC(CNC(=O)CCC1=CC=C(C(=O)[O-])C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942938	1	53	0.0	-79.62	396.76	8.47	-71.15
CC(CNC(=O)C1=CC=NC(C(=O)[O-])=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942939	1	46	0.0	-88.05	356.49	5.59	-82.46
CC(CNC(=O)C1=CC=NC(C(=O)[O-])=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942939	1	46	0.0	-88.12	346.79	5.23	-82.89
CC(CNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942940	1	51	0.0	-80.32	393.00	8.20	-72.12
CC(CNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942940	1	51	0.0	-80.00	384.92	8.12	-71.88
CC(CNC(=O)CCC1=CC=CC=C1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942945	1	53	0.0	-67.38	397.68	8.61	-58.77
CC(CNC(=O)CCC1=CC=CC=C1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942945	1	53	0.0	-68.51	392.60	8.17	-60.34
CC1=CC(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300002942946	1	57	0.0	-79.11	433.58	8.83	-70.28
CC1=CC(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300002942946	1	57	0.0	-77.94	430.18	8.79	-69.15
CC(CNC(=O)CC1=CC=CC(C(=O)[O-])=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942947	1	50	0.0	-84.97	385.18	8.04	-76.93
CC(CNC(=O)CC1=CC=CC(C(=O)[O-])=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942947	1	50	0.0	-82.08	379.76	7.63	-74.45
CC(CNC(=O)C1CCCC(C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942948	1	53	0.0	-81.99	384.33	7.27	-74.72
CC(CNC(=O)C1CCCC(C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942948	1	53	0.0	-80.62	379.88	7.17	-73.45
CC(CNC(=O)C1=CC=C(C(=O)[O-])N=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942949	1	46	0.0	-74.58	354.60	5.27	-69.31
CC(CNC(=O)C1=CC=C(C(=O)[O-])N=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942949	1	46	0.0	-75.04	348.16	5.30	-69.74
CC(CNC(=O)CC(C)(C)CC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942951	1	52	0.0	-73.61	367.64	6.43	-67.18
CC(CNC(=O)CC(C)(C)CC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942951	1	52	0.0	-72.48	365.48	6.48	-66.00
CC(CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942954	1	53	0.0	-74.26	387.85	7.55	-66.71
CC(CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942954	1	53	0.0	-73.85	381.47	7.30	-66.55
CC(CNC(=O)C1CCC(C(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942955	1	53	0.0	-76.74	378.00	7.43	-69.31
CC(CNC(=O)C1CCC(C(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942955	1	53	0.0	-77.49	371.77	7.41	-70.08
CC(CNC(=O)CC1=CC=C(C(=O)[O-])C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942956	1	50	0.0	-87.40	385.11	8.04	-79.36
CC(CNC(=O)CC1=CC=C(C(=O)[O-])C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942956	1	50	0.0	-87.44	376.72	7.75	-79.69
CC(CNC(=O)CN1C=C(C(=O)[O-])N=N1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942957	1	46	0.0	-89.21	360.57	3.70	-85.51
CC(CNC(=O)CN1C=C(C(=O)[O-])N=N1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942957	1	46	0.0	-88.44	353.30	3.69	-84.75
CC(CNC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942959	1	47	0.0	-77.98	381.79	7.97	-70.01
CC(CNC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942959	1	47	0.0	-77.74	373.57	7.68	-70.06
CC(CNC(=O)C1=CC=C(C(=O)[O-])C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942960	1	47	0.0	-75.68	358.48	7.01	-68.67
CC(CNC(=O)C1=CC=C(C(=O)[O-])C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942960	1	47	0.0	-75.55	352.06	7.07	-68.48
CC(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942961	1	50	0.0	-79.65	367.54	6.89	-72.76
CC(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942961	1	50	0.0	-78.49	363.67	6.65	-71.84
CC(CNC(=O)C1=CC=CC(CC(=O)[O-])=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942962	1	50	0.0	-78.28	382.63	8.11	-70.17
CC(CNC(=O)C1=CC=CC(CC(=O)[O-])=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942962	1	50	0.0	-78.09	372.58	7.70	-70.39
CC(CNC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942963	1	57	0.0	-69.10	424.73	10.43	-58.67
CC(CNC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942963	1	57	0.0	-67.45	418.07	10.41	-57.04
CC(CNC(=O)C12CC(C(=O)[O-])(C1)C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942967	1	48	0.0	-72.07	363.88	6.93	-65.14
CC(CNC(=O)C12CC(C(=O)[O-])(C1)C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942967	1	48	0.0	-72.64	359.68	6.62	-66.02
CC(CNC(=O)CC1CCC(C(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942968	1	56	0.0	-80.94	403.94	8.27	-72.67
CC(CNC(=O)CC1CCC(C(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942968	1	56	0.0	-68.91	387.16	7.66	-61.25
CC(CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942969	1	54	0.0	-84.45	394.46	7.74	-76.71
CC(CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942969	1	54	0.0	-84.24	386.06	7.44	-76.80
CC(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942970	1	57	0.0	-77.93	404.47	8.26	-69.67
CC(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942970	1	57	0.0	-77.55	399.69	7.97	-69.58
CC(CNC(=O)CC(C)(C)CC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942971	1	52	0.0	-73.61	367.64	6.43	-67.18
CC(CNC(=O)CC(C)(C)CC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942971	1	52	0.0	-72.48	365.48	6.48	-66.00
CC(CC(=O)[O-])CC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942972	1	49	0.0	-75.28	358.17	6.10	-69.18
CC(CC(=O)[O-])CC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942972	1	49	0.0	-74.24	354.49	6.01	-68.23
CC(CNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942974	1	54	0.0	-79.41	410.91	7.76	-71.65
CC(CNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942974	1	54	0.0	-80.09	408.53	7.76	-72.33
CC(CNC(=O)C1(C(=O)[O-])CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942976	1	50	0.0	-52.36	362.94	6.71	-45.65
CC(CNC(=O)C1(C(=O)[O-])CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942976	1	50	0.0	-55.51	360.54	6.71	-48.80
CC(CNC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942977	1	60	0.0	-69.39	437.06	9.93	-59.46
CC(CNC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942977	1	60	0.0	-71.05	434.83	9.94	-61.11
CC(CNC(=O)CN1C=C(C(=O)[O-])C=N1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942980	1	47	0.0	-84.59	365.20	5.15	-79.44
CC(CNC(=O)CN1C=C(C(=O)[O-])C=N1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942980	1	47	0.0	-84.03	358.79	5.21	-78.82
CC(CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942982	1	54	0.0	-51.99	392.72	7.97	-44.02
CC(CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942982	1	54	0.0	-52.01	387.20	7.76	-44.25
CC(CNC(=O)C1=CC=C(OCC(=O)[O-])C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942983	1	51	0.0	-76.14	389.49	7.28	-68.86
CC(CNC(=O)C1=CC=C(OCC(=O)[O-])C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942983	1	51	0.0	-75.85	383.07	7.34	-68.51
CC(CNC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942984	1	56	0.0	-84.93	426.72	7.57	-77.36
CC(CNC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942984	1	56	0.0	-81.45	424.56	7.65	-73.80
CC(CNC(=O)CCSCC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942985	1	47	0.0	-72.00	370.29	6.56	-65.44
CC(CNC(=O)CCSCC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942985	1	47	0.0	-71.79	360.53	6.17	-65.62
CC(CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942988	1	51	0.0	-78.52	381.09	6.56	-71.96
CC(CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942988	1	51	0.0	-79.89	379.05	6.59	-73.30
CC(CNC(=O)C(C)(C)CCC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942989	1	52	0.0	-78.59	378.77	6.88	-71.71
CC(CNC(=O)C(C)(C)CCC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942989	1	52	0.0	-77.59	374.35	6.60	-70.99
CC(CNC(=O)C1=CC=C(CC(=O)[O-])C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942990	1	50	0.0	-72.11	380.67	7.78	-64.33
CC(CNC(=O)C1=CC=C(CC(=O)[O-])C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942990	1	50	0.0	-71.93	374.25	7.84	-64.09
CC(CNC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942991	1	51	0.0	-77.25	392.53	8.64	-68.61
CC(CNC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942991	1	51	0.0	-77.71	384.14	8.36	-69.35
CC(CNC(=O)C=CC1=CC(C(=O)[O-])=CO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942992	1	48	0.0	-75.43	379.52	6.79	-68.64
CC(CNC(=O)C=CC1=CC(C(=O)[O-])=CO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942992	1	48	0.0	-75.25	375.47	6.49	-68.76
CC(CNC(=O)C1=CC=CC=C1CCC(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942993	1	53	0.0	-80.79	393.38	8.52	-72.27
CC(CNC(=O)C1=CC=CC=C1CCC(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942993	1	53	0.0	-79.59	386.95	8.61	-70.98
CC(CNC(=O)COCC1=C(C(=O)[O-])N=CO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942994	1	50	0.0	-83.56	391.25	2.75	-80.81
CC(CNC(=O)COCC1=C(C(=O)[O-])N=CO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942994	1	50	0.0	-83.24	386.34	3.09	-80.15
CC(CNC(=O)C=CC1=CC=C(C(=O)[O-])O1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942995	1	48	0.0	-69.15	379.09	6.81	-62.34
CC(CNC(=O)C=CC1=CC=C(C(=O)[O-])O1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942995	1	48	0.0	-69.73	371.00	6.74	-62.99
CC(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942996	1	50	0.0	-79.65	367.54	6.89	-72.76
CC(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942996	1	50	0.0	-78.49	363.67	6.65	-71.84
CC1=CC=C(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C=C1C(=O)[O-]	REAL300002942997	1	50	0.0	-84.36	376.20	7.91	-76.45
CC1=CC=C(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C=C1C(=O)[O-]	REAL300002942997	1	50	0.0	-86.21	370.29	7.60	-78.61
CC(CNC(=O)C1=CN=CC(C(=O)[O-])=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942998	1	46	0.0	-77.59	353.89	5.25	-72.34
CC(CNC(=O)C1=CN=CC(C(=O)[O-])=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942998	1	46	0.0	-77.10	345.86	5.19	-71.91
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942999	1	49	0.0	-57.95	369.89	5.87	-52.08
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002942999	1	49	0.0	-59.68	363.67	5.90	-53.78
CC(CNC(=O)CN1C=CC(C(=O)[O-])=N1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943000	1	47	0.0	-94.48	364.58	5.17	-89.31
CC(CNC(=O)CN1C=CC(C(=O)[O-])=N1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943000	1	47	0.0	-92.12	359.58	5.51	-86.61
CC(CNC(=O)CCCN1C=CC(C(=O)[O-])=N1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943001	1	53	0.0	-95.02	408.17	6.55	-88.47
CC(CNC(=O)CCCN1C=CC(C(=O)[O-])=N1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943001	1	53	0.0	-94.67	401.74	6.60	-88.07
CC(CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943002	1	54	0.0	-83.54	404.02	7.29	-76.25
CC(CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943002	1	54	0.0	-81.79	400.20	7.04	-74.75
CC(CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943003	1	54	0.0	-73.70	401.25	5.86	-67.84
CC(CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943003	1	54	0.0	-73.69	398.68	5.87	-67.82
CC(CNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943005	1	55	0.0	-45.55	385.80	8.34	-37.21
CC(CNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943005	1	55	0.0	-53.07	387.70	8.24	-44.83
CC(C)C(C(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943006	1	49	0.0	-62.83	363.93	6.21	-56.62
CC(C)C(C(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943006	1	49	0.0	-46.16	345.78	6.04	-40.12
CC(CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943007	1	53	0.0	-70.09	372.09	7.82	-62.27
CC(CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943007	1	53	0.0	-73.41	363.83	7.71	-65.70
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)N1C[C@@H](C)O[C@@H](C)C1	REAL300002943008	0	55	0.0	-47.69	400.92	5.44	-42.25
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)N1C[C@@H](C)O[C@@H](C)C1	REAL300002943008	1	55	0.0	-45.40	393.77	4.69	-40.71
CC(CNC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943009	1	54	0.0	-54.42	405.43	9.20	-45.22
CC(CNC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943009	1	54	0.0	-48.43	395.01	8.79	-39.64
CC(CNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943010	1	54	0.0	-79.41	410.91	7.76	-71.65
CC(CNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943010	1	54	0.0	-80.09	408.53	7.76	-72.33
CC(CNC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943011	1	54	0.0	-97.37	416.50	9.13	-88.24
CC(CNC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943011	1	54	0.0	-94.43	414.68	9.21	-85.22
CC(CNC(=O)C1CC2(CC2C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943012	1	51	0.0	-82.57	383.83	7.73	-74.84
CC(CNC(=O)C1CC2(CC2C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943012	1	51	0.0	-75.09	371.76	7.30	-67.79
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943013	1	53	0.0	-77.85	390.04	8.14	-69.71
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943013	1	53	0.0	-77.10	383.30	8.07	-69.03
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943014	1	50	0.0	-58.91	376.10	8.07	-50.84
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943014	1	50	0.0	-60.03	368.25	7.70	-52.33
CC(CNC(=O)C1CC(C)(C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943015	1	50	0.0	-76.34	370.11	6.50	-69.84
CC(CNC(=O)C1CC(C)(C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943015	1	50	0.0	-76.70	368.07	6.54	-70.16
CC(CNC(=O)C1=CC(C(=O)[O-])=NN1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943017	1	44	0.0	-79.58	342.61	3.47	-76.11
CC(CNC(=O)C1=CC(C(=O)[O-])=NN1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943017	1	44	0.0	-79.51	339.65	3.45	-76.06
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943018	1	49	0.0	-76.04	364.20	5.78	-70.26
CC1=C(C(=O)[O-])C=NC=C1C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943018	1	49	0.0	-75.40	362.35	5.86	-69.54
CCCC(C(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943019	1	49	0.0	-60.56	367.25	6.54	-54.02
CCCC(C(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943019	1	49	0.0	-46.68	351.57	6.26	-40.42
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943020	1	50	0.0	-75.66	376.08	8.06	-67.60
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943020	1	50	0.0	-75.80	368.30	7.71	-68.09
CC(CNC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943021	1	47	0.0	-74.67	372.94	7.86	-66.81
CC(CNC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943021	1	47	0.0	-74.33	368.86	7.55	-66.78
CC(CNC(=O)C1CC2(CC(C(=O)[O-])C2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943022	1	54	0.0	-75.57	401.07	8.21	-67.36
CC(CNC(=O)C1CC2(CC(C(=O)[O-])C2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943022	1	54	0.0	-76.77	397.64	7.95	-68.82
CC(CNC(=O)C1=CC=C(C(=O)[O-])N1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943024	1	48	0.0	-68.11	362.98	6.42	-61.69
CC(CNC(=O)C1=CC=C(C(=O)[O-])N1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943024	1	48	0.0	-68.00	357.50	6.42	-61.58
CC(CNC(=O)C1(C(=O)[O-])CC=CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943025	1	48	0.0	-47.31	355.58	6.94	-40.37
CC(CNC(=O)C1(C(=O)[O-])CC=CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943025	1	48	0.0	-55.66	353.43	6.62	-49.04
CC(CNC(=O)C1=CC=C(CCC(=O)[O-])C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943026	1	53	0.0	-75.57	402.07	8.59	-66.98
CC(CNC(=O)C1=CC=C(CCC(=O)[O-])C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943026	1	53	0.0	-75.13	395.65	8.64	-66.49
CC1=NNC(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)=C1C(=O)[O-]	REAL300002943027	1	47	0.0	-75.43	356.01	5.19	-70.24
CC1=NNC(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)=C1C(=O)[O-]	REAL300002943027	1	47	0.0	-75.52	347.53	4.88	-70.64
CC(CNC(=O)CC1(CC(=O)[O-])CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943028	1	50	0.0	-64.03	368.83	7.06	-56.97
CC(CNC(=O)CC1(CC(=O)[O-])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943028	1	50	0.0	-63.80	365.86	6.79	-57.01
CC(CNC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943029	1	51	0.0	-82.58	392.19	7.48	-75.10
CC(CNC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943029	1	51	0.0	-74.52	384.78	7.47	-67.05
CC1=C(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C=C(C(=O)[O-])S1	REAL300002943031	1	47	0.0	-59.80	369.19	6.90	-52.90
CC1=C(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C=C(C(=O)[O-])S1	REAL300002943031	1	47	0.0	-61.84	361.25	6.90	-54.94
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)=C1	REAL300002943033	1	51	0.0	-78.28	396.47	6.72	-71.56
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)=C1	REAL300002943033	1	51	0.0	-77.91	390.04	6.76	-71.15
CC(CNC(=O)CCC1=CC=CN=C1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943036	1	52	0.0	-72.49	393.48	6.83	-65.66
CC(CNC(=O)CCC1=CC=CN=C1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943036	1	52	0.0	-69.95	384.82	6.53	-63.42
CC(CNC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943038	1	51	0.0	-80.33	393.01	8.20	-72.13
CC(CNC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943038	1	51	0.0	-80.09	386.51	8.24	-71.85
CC(CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943039	1	54	0.0	-51.99	392.72	7.97	-44.02
CC(CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943039	1	54	0.0	-52.01	387.20	7.76	-44.25
CC(CNC(=O)C1=C(C(=O)[O-])C=NN1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943040	1	47	0.0	-80.06	356.39	5.76	-74.30
CC(CNC(=O)C1=C(C(=O)[O-])C=NN1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943040	1	47	0.0	-68.15	361.06	4.39	-63.76
CC(CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943041	1	48	0.0	-61.35	383.93	6.06	-55.29
CC(CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943041	1	48	0.0	-63.16	376.85	6.06	-57.10
CC(CNC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943042	1	48	0.0	-77.50	384.12	6.20	-71.30
CC(CNC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943042	1	48	0.0	-77.72	377.69	6.23	-71.49
CC(CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943043	1	48	0.0	-64.19	375.03	5.16	-59.03
CC(CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943043	1	48	0.0	-66.90	372.31	5.18	-61.72
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943044	1	50	0.0	-83.73	368.60	7.57	-76.16
CC1=C(C(=O)[O-])C=CC=C1C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943044	1	50	0.0	-82.65	362.15	7.58	-75.07
CC(CNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943045	1	50	0.0	-81.33	388.77	6.42	-74.91
CC(CNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943045	1	50	0.0	-81.02	380.69	6.34	-74.68
C=C1CCC1(C(=O)[O-])C(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943046	1	48	0.0	-54.21	362.41	6.71	-47.50
C=C1CCC1(C(=O)[O-])C(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943046	1	48	0.0	-50.13	352.13	6.64	-43.49
CC(CNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943048	1	52	0.0	-62.75	382.35	5.59	-57.16
CC(CNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943048	1	52	0.0	-62.54	377.33	5.46	-57.08
CC(CNC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943049	1	53	0.0	-84.30	394.27	9.07	-75.23
CC(CNC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943049	1	53	0.0	-83.09	392.54	9.14	-73.95
CC(C)[C@]1(C(=O)NCC(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C(=O)[O-]	REAL300002943050	1	53	0.0	-53.16	391.61	7.07	-46.09
CC(C)[C@]1(C(=O)NCC(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C(=O)[O-]	REAL300002943050	1	53	0.0	-59.73	385.62	7.27	-52.46
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943051	1	53	0.0	-90.02	399.86	8.14	-81.88
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943051	1	53	0.0	-87.60	398.04	8.23	-79.37
CC(CNC(=O)CC1=CC(C(=O)[O-])=CS1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943052	1	47	0.0	-82.72	374.94	6.87	-75.85
CC(CNC(=O)CC1=CC(C(=O)[O-])=CS1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943052	1	47	0.0	-82.19	371.30	6.78	-75.41
CC(CNC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943053	1	50	0.0	-91.34	389.72	8.08	-83.26
CC(CNC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943053	1	50	0.0	-90.74	381.27	7.78	-82.96
CC(CNC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943054	1	50	0.0	-61.26	365.14	6.54	-54.72
CC(CNC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943054	1	50	0.0	-65.35	358.78	6.61	-58.74
CC(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943056	1	57	0.0	-77.93	404.47	8.26	-69.67
CC(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300002943056	1	57	0.0	-77.55	399.69	7.97	-69.58
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300002943057	0	44	0.0	-81.71	353.38	7.70	-74.01
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2CCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1	REAL300002943058	0	52	0.0	-81.21	426.87	6.10	-75.11
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=CC=C2SCC2=C(C(=O)[O-])C=CO2)C1	REAL300002943059	0	51	0.0	-86.72	418.52	10.46	-76.26
CC(SC1=CC=CC=C1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)[O-]	REAL300002943060	0	47	0.0	-81.76	375.25	9.20	-72.56
CCOC1=CC(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)=CC=C1OCC(=O)[O-]	REAL300002943061	0	51	0.0	-79.98	404.32	8.39	-71.59
C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002943062	0	46	0.0	-78.83	368.31	8.92	-69.91
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300002943063	0	44	0.0	-78.54	356.77	8.64	-69.90
C[NH+](C)[C@H]1C[C@@H](CNC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300002943064	0	48	0.0	-76.35	401.03	3.81	-72.54
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300002943065	0	42	0.0	-62.18	350.40	8.11	-54.07
CC1=NN(C2=CC=C(C(=O)NC[C@@H]3C[C@H]([NH+](C)C)C3)C=C2)C(C)=C1CCC(=O)[O-]	REAL300002943066	0	59	0.0	-79.00	461.27	11.07	-67.93
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300002943067	0	42	0.0	-62.18	350.40	8.11	-54.07
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)C=C1	REAL300002943068	0	50	0.0	-79.97	397.20	8.99	-70.98
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300002943069	0	47	0.0	-77.36	380.41	8.45	-68.91
C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300002943070	0	46	0.0	-70.86	359.65	8.67	-62.19
CC1=CC(C(=O)NC[C@@H]2C[C@H]([NH+](C)C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300002943071	0	50	0.0	-76.95	394.97	9.18	-67.77
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300002943072	0	40	0.0	-77.40	343.57	8.05	-69.35
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C1	REAL300002943073	0	50	0.0	-78.10	388.20	10.84	-67.26
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300002943074	0	50	0.0	-76.32	365.89	8.33	-67.99
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C1	REAL300002943075	0	42	0.0	-77.11	344.11	6.74	-70.37
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300002943076	0	47	0.0	-84.31	374.47	8.13	-76.18
C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300002943077	0	53	0.0	-75.34	401.14	10.34	-65.00
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300002943078	0	44	0.0	-74.67	353.25	7.71	-66.96
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300002943079	0	49	0.0	-80.41	390.14	8.01	-72.40
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300002943080	0	44	0.0	-76.20	354.31	8.73	-67.47
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=CC=C2CCC(=O)[O-])C1	REAL300002943081	0	46	0.0	-79.78	357.05	8.93	-70.85
C[NH+](C)[C@H]1C[C@@H](CNC(=O)COCC2=C(C(=O)[O-])N=CO2)C1	REAL300002943082	0	43	0.0	-83.42	355.00	3.19	-80.23
C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCCN2C=CC(C(=O)[O-])=N2)C1	REAL300002943083	0	46	0.0	-94.21	371.94	6.97	-87.24
C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C1	REAL300002943084	0	48	0.0	-62.73	353.80	8.52	-54.21
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C1	REAL300002943085	0	47	0.0	-59.94	365.97	9.27	-50.67
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300002943086	0	47	0.0	-84.31	374.47	8.13	-76.18
C[NH+](C)[C@H]1C[C@@H](CNC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300002943087	0	47	0.0	-94.61	380.31	9.56	-85.05
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300002943088	0	40	0.0	-73.56	334.73	7.94	-65.62
COC1=CC(C(=O)[O-])=NC(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)=C1	REAL300002943089	0	43	0.0	-62.58	350.08	5.04	-57.54
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300002943090	0	46	0.0	-74.15	365.84	9.01	-65.14
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C1	REAL300002943091	0	44	0.0	-80.21	351.70	8.64	-71.57
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1	REAL300002943092	0	40	0.0	-75.60	352.08	8.02	-67.58
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)=C1	REAL300002943093	0	44	0.0	-77.84	360.03	7.12	-70.72
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1	REAL300002943094	0	43	0.0	-67.99	350.31	7.85	-60.14
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C1	REAL300002943095	0	43	0.0	-84.08	357.40	8.72	-75.36
C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCC2=CC=CN=C2C(=O)[O-])C1	REAL300002943096	0	45	0.0	-75.32	355.79	6.90	-68.42
C[NH+](C)[C@H]1C[C@@H](CNC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1	REAL300002943097	0	44	0.0	-78.54	356.76	8.64	-69.90
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300002943098	0	41	0.0	-66.70	347.47	6.45	-60.25
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300002943099	0	41	0.0	-75.84	347.66	6.57	-69.27
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300002943100	0	41	0.0	-68.01	338.78	5.59	-62.42
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300002943101	0	43	0.0	-79.91	352.54	6.86	-73.05
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300002943102	0	46	0.0	-81.16	358.31	9.49	-71.67
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1	REAL300002943103	0	46	0.0	-86.80	364.03	8.62	-78.18
C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300002943104	0	43	0.0	-88.02	351.46	8.16	-79.86
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C1	REAL300002943105	0	47	0.0	-69.24	371.31	8.96	-60.28
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300002943106	0	50	0.0	-76.32	365.89	8.33	-67.99
CC1=CN=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300002943194	0	48	0.0	-52.61	364.60	7.47	-45.14
CC1=CN=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300002943194	1	48	0.0	-51.64	371.71	7.54	-44.10
COC1=C(C)C=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002943300	0	47	0.0	-48.77	358.15	8.08	-40.69
COC1=C(C)C=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002943300	1	47	0.0	-47.06	366.65	7.53	-39.53
CC(C)(C)N1N=NC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300002943410	0	47	0.0	-50.59	370.18	5.18	-45.41
CC(C)(C)N1N=NC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300002943410	1	47	0.0	-51.27	370.07	5.19	-46.08
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC2=C(Cl)C=CC=C2Cl)C1	REAL300002943559	0	46	0.0	-48.46	387.80	9.82	-38.64
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC2=C(Cl)C=CC=C2Cl)C1	REAL300002943559	1	46	0.0	-47.89	387.16	9.80	-38.09
CC1=CN=C(OC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)N=C1	REAL300002943755	0	52	0.0	-52.68	396.85	6.29	-46.39
CC1=CN=C(OC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)N=C1	REAL300002943755	1	52	0.0	-49.57	389.35	5.81	-43.76
CCC1=CSC(CC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=N1	REAL300002943882	0	55	0.0	-47.34	422.16	10.38	-36.96
CCC1=CSC(CC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=N1	REAL300002943882	1	55	0.0	-44.95	414.73	9.92	-35.03
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CCC3=CC=C(F)C=C3F)CC2)C1	REAL300002943994	0	56	0.0	-46.04	419.35	12.19	-33.85
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CCC3=CC=C(F)C=C3F)CC2)C1	REAL300002943994	1	56	0.0	-50.19	426.93	12.64	-37.55
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=NC4=NC=CC=C4C=C3)CC2)C1	REAL300002944103	0	54	0.0	-55.14	400.28	9.82	-45.32
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=NC4=NC=CC=C4C=C3)CC2)C1	REAL300002944103	1	54	0.0	-58.36	407.78	10.30	-48.06
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002944147	0	46	0.0	-71.93	330.71	8.60	-63.33
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300002944148	0	50	0.0	-79.82	361.62	8.87	-70.95
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300002944149	0	46	0.0	-78.40	333.00	8.68	-69.72
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])S2)CC1	REAL300002944150	0	43	0.0	-65.73	323.87	7.75	-57.98
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC(C(=O)[O-])=N2)CC1	REAL300002944151	0	45	0.0	-51.10	327.93	7.73	-43.37
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC=C2SC(C)C(=O)[O-])CC1	REAL300002944152	0	53	0.0	-73.40	389.55	10.46	-62.94
CCOC1=CC(C(=O)N2CC[NH+](C(C)(C)CC)CC2)=CC=C1OCC(=O)[O-]	REAL300002944153	0	57	0.0	-77.82	413.00	9.56	-68.26
CCC(C)(C)[NH+]1CCN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002944154	0	52	0.0	-76.90	378.84	10.51	-66.39
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=NC(C(=O)[O-])=C2)CC1	REAL300002944155	0	45	0.0	-83.32	327.75	6.87	-76.45
CCC(C)(C)[NH+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002944156	0	50	0.0	-77.51	366.16	10.17	-67.34
CCC(C)(C)[NH+]1CCN(C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002944157	0	54	0.0	-74.81	411.51	5.34	-69.47
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300002944158	0	48	0.0	-57.69	358.83	9.28	-48.41
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300002944159	0	48	0.0	-57.69	358.83	9.28	-48.41
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C)C=C2)CC1	REAL300002944160	0	56	0.0	-79.23	407.32	10.21	-69.02
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300002944161	0	53	0.0	-69.97	388.28	9.76	-60.21
CCC(C)(C)[NH+]1CCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC1	REAL300002944162	0	52	0.0	-64.45	370.24	10.26	-54.19
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)CC1	REAL300002944163	0	56	0.0	-74.54	405.10	10.39	-64.15
CCC(C)(C)[NH+]1CCN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300002944164	0	49	0.0	-81.15	357.45	9.69	-71.46
CCC(C)(C)[NH+]1CCN(C(=O)C2CCCC(C(=O)[O-])C2)CC1	REAL300002944165	0	52	0.0	-79.15	357.15	9.05	-70.10
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CC1	REAL300002944166	0	45	0.0	-71.59	326.39	6.72	-64.87
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300002944167	0	45	0.0	-60.03	327.19	7.76	-52.27
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)CC1	REAL300002944168	0	46	0.0	-71.00	338.66	8.72	-62.28
CCC(C)(C)[NH+]1CCN(C(=O)C2=CN=C(C(=O)[O-])C=N2)CC1	REAL300002944169	0	44	0.0	-63.25	322.63	5.89	-57.36
CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300002944170	0	52	0.0	-72.26	358.56	9.09	-63.17
CCC(C)(C)[NH+]1CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC1	REAL300002944171	0	52	0.0	-79.46	348.80	8.82	-70.64
CCC(C)(C)[NH+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002944172	0	49	0.0	-86.09	357.46	9.71	-76.38
CCC(C)(C)[NH+]1CCN(C(=O)CN2C=C(C(=O)[O-])N=N2)CC1	REAL300002944173	0	45	0.0	-87.50	334.58	5.63	-81.87
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C(C)=N2)CC1	REAL300002944174	0	48	0.0	-60.57	343.72	8.21	-52.36
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300002944175	0	46	0.0	-74.44	352.12	9.20	-65.24
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002944176	0	46	0.0	-71.93	330.71	8.60	-63.33
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300002944177	0	49	0.0	-77.88	352.73	9.36	-68.52
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC1	REAL300002944178	0	56	0.0	-76.78	401.25	12.57	-64.21
CCC(C)(C)[NH+]1CCN(C(=O)C2=C(CC(=O)[O-])OC=C2)CC1	REAL300002944179	0	46	0.0	-66.08	334.11	7.69	-58.39
CCC(C)(C)[NH+]1CCN(C(=O)C2=C(CC(=O)[O-])OC=C2C)CC1	REAL300002944180	0	49	0.0	-45.31	353.23	8.20	-37.11
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC=N2)CC1	REAL300002944181	0	45	0.0	-69.97	327.31	7.76	-62.21
CCC(C)(C)[NH+]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)CC1	REAL300002944182	0	55	0.0	-79.47	376.25	9.94	-69.53
CCC(C)(C)[NH+]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1	REAL300002944183	0	53	0.0	-83.08	358.94	9.07	-74.01
CCC(C)(C)[NH+]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300002944184	0	56	0.0	-75.46	367.78	9.32	-66.14
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC1	REAL300002944185	0	48	0.0	-85.19	360.84	7.67	-77.52
CCC(C)(C)[NH+]1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300002944186	0	53	0.0	-70.53	386.78	9.25	-61.28
CCC(C)(C)[NH+]1CCN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300002944187	0	59	0.0	-67.21	411.70	11.92	-55.29
CCC(C)(C)[NH+]1CCN(C(=O)C2=C(C)OC(C(=O)[O-])=C2)CC1	REAL300002944188	0	46	0.0	-63.50	336.22	7.89	-55.61
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C)=C(C(=O)[O-])O2)CC1	REAL300002944189	0	46	0.0	-56.84	334.24	7.99	-48.85
CCC(C)(C)[NH+]1CCN(C(=O)CN2C=C(C(=O)[O-])C=N2)CC1	REAL300002944190	0	46	0.0	-82.87	339.45	7.10	-75.77
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)CC1	REAL300002944191	0	47	0.0	-61.28	349.46	8.63	-52.65
CCC(C)(C)[NH+]1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300002944192	0	53	0.0	-51.78	359.32	9.21	-42.57
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300002944193	0	50	0.0	-71.88	363.14	8.93	-62.95
CCC(C)(C)[NH+]1CCN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300002944194	0	55	0.0	-83.39	400.22	9.52	-73.87
CCC(C)(C)[NH+]1CCN(C(=O)CCSCC(=O)[O-])CC1	REAL300002944195	0	46	0.0	-69.70	342.63	8.20	-61.50
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CC1	REAL300002944196	0	45	0.0	-60.03	327.19	7.76	-52.27
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=NN2C)CC1	REAL300002944197	0	46	0.0	-68.02	331.37	6.35	-61.67
CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)CC1	REAL300002944198	0	50	0.0	-78.06	351.45	8.35	-69.71
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300002944199	0	49	0.0	-65.05	354.27	9.43	-55.62
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC1	REAL300002944200	0	50	0.0	-76.67	364.23	9.94	-66.73
CCC(C)(C)[NH+]1CCN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)CC1	REAL300002944201	0	47	0.0	-73.74	350.74	8.44	-65.30
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC=C2CCC(=O)[O-])CC1	REAL300002944202	0	52	0.0	-71.29	371.65	10.12	-61.17
CCC(C)(C)[NH+]1CCN(C(=O)COCC2=C(C(=O)[O-])N=CO2)CC1	REAL300002944203	0	49	0.0	-80.93	365.54	4.78	-76.15
CCC(C)(C)[NH+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)CC1	REAL300002944204	0	47	0.0	-66.28	352.30	8.78	-57.50
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C)C(C(=O)[O-])=C2)CC1	REAL300002944205	0	49	0.0	-81.67	346.35	9.14	-72.53
CCC(C)(C)[NH+]1CCN(C(=O)C2=CN=CC(C(=O)[O-])=C2)CC1	REAL300002944206	0	45	0.0	-74.06	325.69	6.71	-67.35
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=CN=C2C)CC1	REAL300002944207	0	48	0.0	-60.40	345.78	7.47	-52.93
CCC(C)(C)[NH+]1CCN(C(=O)CN2C=CC(C(=O)[O-])=N2)CC1	REAL300002944208	0	46	0.0	-94.99	338.85	7.14	-87.85
CCC(C)(C)[NH+]1CCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)CC1	REAL300002944209	0	52	0.0	-93.48	382.48	8.54	-84.94
CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	REAL300002944210	0	53	0.0	-82.95	372.93	8.77	-74.18
CCC(C)(C)[NH+]1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1	REAL300002944211	0	53	0.0	-72.56	374.94	7.84	-64.72
CCC(C)(C)[NH+]1CCN(C(=O)C2=C(C)C=C(C(=O)[O-])O2)CC1	REAL300002944212	0	46	0.0	-57.05	334.08	8.09	-48.96
CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC1	REAL300002944213	0	54	0.0	-68.40	355.34	10.28	-58.12
CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300002944214	0	52	0.0	-61.50	346.32	9.41	-52.09
CCC(C)(C)[NH+]1CCN(C(=O)CN2CCCC(C(=O)[O-])C2)CC1	REAL300002944215	1	54	0.0	-69.45	371.97	7.02	-62.43
CCC(C)(C)N1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002944215	1	54	0.0	-45.89	373.12	7.17	-38.72
CCC(C)(C)N1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002944215	1	54	0.0	-42.67	365.65	6.73	-35.94
CCC(C)(C)[NH+]1CCN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC1	REAL300002944216	0	53	0.0	-57.93	374.46	10.44	-47.49
CCC(C)(C)[NH+]1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300002944217	0	53	0.0	-70.53	386.78	9.25	-61.28
CCC(C)(C)[NH+]1CCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300002944218	0	53	0.0	-95.42	390.79	11.10	-84.32
CCC(C)(C)[NH+]1CCN(C(=O)C2CC3(CC3C(=O)[O-])C2)CC1	REAL300002944219	0	50	0.0	-81.86	354.84	9.34	-72.52
CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)CC1	REAL300002944220	0	52	0.0	-80.86	361.64	10.08	-70.78
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC=C2C)CC1	REAL300002944221	0	49	0.0	-62.74	351.66	9.34	-53.40
CCC(C)(C)[NH+]1CCN(C(=O)C2=C(C(=O)[O-])SC=C2)CC1	REAL300002944222	0	43	0.0	-72.26	320.97	8.60	-63.66
CCC(C)(C)[NH+]1CCN(C(=O)C2=CN=CC(C(=O)[O-])=C2C)CC1	REAL300002944223	0	48	0.0	-68.72	340.76	7.33	-61.39
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300002944224	0	49	0.0	-71.01	352.99	9.30	-61.71
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC1	REAL300002944225	0	46	0.0	-70.80	343.76	9.09	-61.71
CCC(C)(C)[NH+]1CCN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC1	REAL300002944226	0	53	0.0	-76.02	372.61	9.80	-66.22
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=N2)CC1	REAL300002944227	0	49	0.0	-49.74	357.66	7.06	-42.68
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C(=O)[O-])N2C)CC1	REAL300002944228	0	47	0.0	-72.43	331.75	7.88	-64.55
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC1	REAL300002944229	0	52	0.0	-70.76	375.67	10.23	-60.53
CCC(C)(C)[NH+]1CCN(C(=O)C2=C(C(=O)[O-])C(C)=NN2)CC1	REAL300002944230	0	46	0.0	-73.10	328.34	6.73	-66.37
CCC(C)(C)[NH+]1CCN(C(=O)C2=NNC(C)=C2C(=O)[O-])CC1	REAL300002944230	1	46	0.0	-73.82	327.82	7.20	-66.62
CCC(C)(C)[NH+]1CCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC1	REAL300002944231	0	50	0.0	-64.27	365.02	9.42	-54.85
CCC(C)(C)[NH+]1CCN(C(=O)C2=CSC(C(=O)[O-])=N2)CC1	REAL300002944232	0	42	0.0	-50.42	319.52	6.66	-43.76
CCC(C)(C)[NH+]1CCN(C(=O)C2=C(C)SC(C(=O)[O-])=C2)CC1	REAL300002944233	0	46	0.0	-60.96	343.73	8.50	-52.46
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC1	REAL300002944234	1	46	0.0	-76.09	359.54	9.16	-66.93
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC(OC)=CC(C(=O)[O-])=C2Cl)CC1	REAL300002944235	0	50	0.0	-71.07	374.24	8.35	-62.72
CCC(C)(C)[NH+]1CCN(C(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)CC1	REAL300002944236	0	49	0.0	-60.83	357.10	9.29	-51.54
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC1	REAL300002944237	0	49	0.0	-79.02	365.88	9.92	-69.10
CCC(C)(C)[NH+]1CCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])CC1	REAL300002944238	0	51	0.0	-69.57	366.41	8.50	-61.07
CCC(C)(C)[NH+]1CCN(C(=O)C23CC(C(=O)[O-])(C2)CO3)CC1	REAL300002944239	0	48	0.0	-65.60	340.55	6.82	-58.78
CCC(C)(C)[NH+]1CCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300002944240	0	50	0.0	-77.51	366.18	10.17	-67.34
CCC(C)(C)[NH+]1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300002944241	0	53	0.0	-51.78	359.32	9.21	-42.57
CCC(C)(C)[NH+]1CCN(C(=O)C2=C(C(=O)[O-])C=NN2C)CC1	REAL300002944242	0	46	0.0	-71.16	339.32	6.34	-64.82
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300002944243	0	47	0.0	-60.36	354.66	8.21	-52.15
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300002944244	0	47	0.0	-74.65	354.89	8.32	-66.33
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC1	REAL300002944245	0	47	0.0	-62.60	346.01	7.35	-55.25
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2C)CC1	REAL300002944246	0	49	0.0	-74.76	346.42	9.15	-65.61
CCC(C)(C)[NH+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300002944247	0	49	0.0	-78.05	361.96	8.41	-69.64
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300002944248	0	43	0.0	-79.06	322.79	7.61	-71.45
CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC1	REAL300002944249	0	51	0.0	-67.39	352.04	7.32	-60.07
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300002944250	0	52	0.0	-76.14	372.69	10.76	-65.38
CCC(C)(C)[NH+]1CCN(C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])CC1	REAL300002944251	0	52	0.0	-57.56	356.94	8.71	-48.85
CCC(C)(C)[NH+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2C)CC1	REAL300002944252	0	52	0.0	-87.99	374.15	10.17	-77.82
CCC(C)(C)[NH+]1CCN(C(=O)CC2=CC(C(=O)[O-])=CS2)CC1	REAL300002944253	0	46	0.0	-81.26	348.97	8.83	-72.43
CCC(C)(C)[NH+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC1	REAL300002944254	0	49	0.0	-89.47	361.95	9.72	-79.75
CCC(C)(C)[NH+]1CCN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC1	REAL300002944255	0	53	0.0	-65.91	379.95	10.19	-55.72
CCC(C)(C)[NH+]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300002944256	0	56	0.0	-75.46	367.78	9.32	-66.14
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(OC3CCC3)C2)C1	REAL300002944325	0	51	0.0	-44.42	369.07	8.42	-36.00
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(OC3CCC3)C2)C1	REAL300002944325	1	51	0.0	-48.00	375.77	8.87	-39.13
CN1C=NN=C1N1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002944443	0	48	0.0	-59.03	360.49	9.41	-49.62
CN1C=NN=C1N1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300002944443	1	48	0.0	-53.19	359.49	8.67	-44.52
CC(C)OC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002944651	0	50	0.0	-47.84	369.64	8.24	-39.60
CC(C)OC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300002944651	1	50	0.0	-44.43	362.20	7.77	-36.66
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN3C(CC4CC4)=NN=C3C2)C1	REAL300002944755	0	50	0.0	-54.59	375.34	9.69	-44.90
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN3C(CC4CC4)=NN=C3C2)C1	REAL300002944755	1	50	0.0	-52.33	375.82	10.12	-42.21
CC1=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)OC2=C(C)C=CC=C12	REAL300002944969	0	52	0.0	-48.90	400.64	11.29	-37.61
CC1=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)OC2=C(C)C=CC=C12	REAL300002944969	1	52	0.0	-51.47	401.32	11.21	-40.26
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2(CCC2)CO1	REAL300002945056	0	48	0.0	-47.56	345.31	7.33	-40.23
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2(CCC2)CO1	REAL300002945056	1	48	0.0	-48.24	346.12	7.48	-40.76
CCC1COC(C)(C)CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300002945118	0	50	0.0	-47.05	355.24	7.88	-39.17
CCC1COC(C)(C)CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300002945118	1	50	0.0	-43.67	348.51	7.42	-36.25
CCC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(CC)CO1	REAL300002945180	0	50	0.0	-47.41	360.41	8.42	-38.99
CCC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(CC)CO1	REAL300002945180	1	50	0.0	-43.55	358.51	7.97	-35.58
CN1N=NC2=C1CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300002945275	0	46	0.0	-59.63	352.98	5.60	-54.03
CN1N=NC2=C1CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300002945275	1	46	0.0	-60.45	354.17	5.63	-54.82
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CCCCC[N@H+](CCNC(=O)C1=CN=C(C(=O)[O-])C=N1)CC1=CC=CC=C1	REAL300002947021	0	53	0.0	-71.15	413.62	7.83	-63.32
CCCCC[N@@H+](CCNC(=O)C1=CN=C(C(=O)[O-])C=N1)CC1=CC=CC=C1	REAL300002947021	1	53	0.0	-71.17	425.03	8.44	-62.73
CCCCC[N@H+](CCNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300002947022	0	61	0.0	-75.93	445.33	11.64	-64.29
CCCCC[N@@H+](CCNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300002947022	1	61	0.0	-77.91	458.17	12.30	-65.61
CCCCC[N@H+](CCNC(=O)C1CCC(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300002947023	0	61	0.0	-77.77	438.93	11.49	-66.28
CCCCC[N@@H+](CCNC(=O)C1CCC(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300002947023	1	61	0.0	-74.99	438.96	11.49	-63.50
CCCCC[N@H+](CCNC(=O)CC1=CC=C(C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300002947024	0	58	0.0	-86.44	445.37	12.11	-74.33
CCCCC[N@@H+](CCNC(=O)CC1=CC=C(C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300002947024	1	58	0.0	-86.56	445.30	12.11	-74.45
CCCCC[N@H+](CCNC(=O)CN1C=C(C(=O)[O-])N=N1)CC1=CC=CC=C1	REAL300002947025	0	54	0.0	-87.61	422.45	8.08	-79.53
CCCCC[N@@H+](CCNC(=O)CN1C=C(C(=O)[O-])N=N1)CC1=CC=CC=C1	REAL300002947025	1	54	0.0	-91.49	427.99	8.35	-83.14
CCCCC[N@H+](CCNC(=O)C1=CC=C(C(=O)[O-])C(C)=N1)CC1=CC=CC=C1	REAL300002947026	0	57	0.0	-68.22	434.47	10.23	-57.99
CCCCC[N@@H+](CCNC(=O)C1=CC=C(C(=O)[O-])C(C)=N1)CC1=CC=CC=C1	REAL300002947026	1	57	0.0	-68.01	445.13	10.85	-57.16
CCCCC[N@H+](CCNC(=O)C1=CC=C(C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300002947027	0	55	0.0	-78.16	420.63	11.44	-66.72
CCCCC[N@@H+](CCNC(=O)C1=CC=C(C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300002947027	1	55	0.0	-79.89	426.17	11.71	-68.18
CCCCC[N@H+](CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002947028	0	58	0.0	-80.24	429.16	11.02	-69.22
CCCCC[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002947028	1	58	0.0	-81.97	439.23	11.65	-70.32
CCCCC[N@H+](CCNC(=O)C1=CC=CC(CC(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002947029	0	58	0.0	-82.14	454.81	12.83	-69.31
CCCCC[N@@H+](CCNC(=O)C1=CC=CC(CC(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002947029	1	58	0.0	-82.26	448.32	12.45	-69.81
CCCCC[N@H+](CCNC(=O)C1=C(CC(=O)[O-])OC=C1)CC1=CC=CC=C1	REAL300002947030	0	55	0.0	-76.34	423.13	10.34	-66.00
CCCCC[N@@H+](CCNC(=O)C1=C(CC(=O)[O-])OC=C1)CC1=CC=CC=C1	REAL300002947030	1	55	0.0	-74.69	423.15	10.34	-64.35
CCCCC[N@H+](CCNC(=O)C1=C(CC(=O)[O-])OC=C1C)CC1=CC=CC=C1	REAL300002947031	0	58	0.0	-63.71	449.86	10.96	-52.75
CCCCC[N@@H+](CCNC(=O)C1=C(CC(=O)[O-])OC=C1C)CC1=CC=CC=C1	REAL300002947031	1	58	0.0	-56.68	450.00	10.97	-45.71
CCCCC[N@H+](CCNC(=O)C1=CC(C(=O)[O-])=CC=N1)CC1=CC=CC=C1	REAL300002947032	0	54	0.0	-73.79	418.29	9.71	-64.08
CCCCC[N@@H+](CCNC(=O)C1=CC(C(=O)[O-])=CC=N1)CC1=CC=CC=C1	REAL300002947032	1	54	0.0	-73.68	418.30	9.72	-63.96
CCCCC[N@H+](CCNC(=O)C12CC(C(=O)[O-])(C1)C2)CC1=CC=CC=C1	REAL300002947033	0	56	0.0	-75.58	424.12	10.99	-64.59
CCCCC[N@@H+](CCNC(=O)C12CC(C(=O)[O-])(C1)C2)CC1=CC=CC=C1	REAL300002947033	1	56	0.0	-75.43	423.76	11.00	-64.43
CCCCC[N@H+](CCNC(=O)C1(C(=O)[O-])CCC1)CC1=CC=CC=C1	REAL300002947034	0	55	0.0	-54.83	419.42	11.05	-43.78
CCCCC[N@@H+](CCNC(=O)C1(C(=O)[O-])CCC1)CC1=CC=CC=C1	REAL300002947034	1	55	0.0	-57.74	407.44	10.42	-47.32
CCCCC[N@H+](CCNC(=O)C(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300002947035	0	54	0.0	-76.21	400.52	10.64	-65.57
CCCCC[N@@H+](CCNC(=O)C(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300002947035	1	54	0.0	-75.73	400.45	10.69	-65.04
CCCCC[N@H+](CCNC(=O)CC1CCC(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300002947036	0	64	0.0	-83.48	477.40	13.01	-70.47
CCCCC[N@@H+](CCNC(=O)CC1CCC(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300002947036	1	64	0.0	-81.15	465.49	12.36	-68.79
CCCCC[N@H+](CCNC(=O)C12CCC(C(=O)[O-])(CC1)C2)CC1=CC=CC=C1	REAL300002947037	0	62	0.0	-84.26	454.80	11.82	-72.44
CCCCC[N@@H+](CCNC(=O)C12CCC(C(=O)[O-])(CC1)C2)CC1=CC=CC=C1	REAL300002947037	1	62	0.0	-84.40	454.48	11.80	-72.60
CCCCC[N@H+](CCNC(=O)CC(C)(C)CC(=O)[O-])CC1=CC=CC=C1	REAL300002947038	0	60	0.0	-76.55	441.75	11.51	-65.04
CCCCC[N@@H+](CCNC(=O)CC(C)(C)CC(=O)[O-])CC1=CC=CC=C1	REAL300002947038	1	60	0.0	-74.36	429.85	10.85	-63.51
CCCCC[N@H+](CCNC(=O)CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002947039	0	54	0.0	-79.17	419.40	10.68	-68.49
CCCCC[N@@H+](CCNC(=O)CCCC(=O)[O-])CC1=CC=CC=C1	REAL300002947039	1	54	0.0	-79.52	412.98	10.30	-69.22
CCCCC[N@H+](CCNC(=O)CC(C)CC(=O)[O-])CC1=CC=CC=C1	REAL300002947040	0	57	0.0	-75.95	420.04	10.47	-65.48
CCCCC[N@@H+](CCNC(=O)CC(C)CC(=O)[O-])CC1=CC=CC=C1	REAL300002947040	1	57	0.0	-75.82	420.11	10.47	-65.35
CCCCC[N@H+](CCNC(=O)C1=NOC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002947041	0	51	0.0	-66.29	401.51	8.99	-57.30
CCCCC[N@@H+](CCNC(=O)C1=NOC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002947041	1	51	0.0	-66.16	401.57	8.99	-57.17
CCCCC[N@H+](CCNC(=O)C1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300002947042	0	58	0.0	-57.52	436.78	11.74	-45.78
CCCCC[N@@H+](CCNC(=O)C1(C(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300002947042	1	58	0.0	-60.73	424.80	11.10	-49.63
CCCCC[N@H+](CCNC(=O)C1=C(C)OC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002947043	0	55	0.0	-70.88	423.77	10.56	-60.32
CCCCC[N@@H+](CCNC(=O)C1=C(C)OC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002947043	1	55	0.0	-70.91	423.51	10.56	-60.35
CCCCC[N@H+](CCNC(=O)C1=CC(C)=C(C(=O)[O-])O1)CC1=CC=CC=C1	REAL300002947044	0	55	0.0	-66.79	425.06	10.40	-56.39
CCCCC[N@@H+](CCNC(=O)C1=CC(C)=C(C(=O)[O-])O1)CC1=CC=CC=C1	REAL300002947044	1	55	0.0	-65.64	430.53	10.67	-54.97
CCCCC[N@H+](CCNC(=O)CN1C=C(C(=O)[O-])C=N1)CC1=CC=CC=C1	REAL300002947045	0	55	0.0	-83.77	427.38	9.57	-74.20
CCCCC[N@@H+](CCNC(=O)CN1C=C(C(=O)[O-])C=N1)CC1=CC=CC=C1	REAL300002947045	1	55	0.0	-83.74	427.44	9.57	-74.17
CCCCC[N@H+](CCNC(=O)C1=CC=C(C=CC(=O)[O-])O1)CC1=CC=CC=C1	REAL300002947046	0	56	0.0	-70.77	440.26	11.01	-59.76
CCCCC[N@@H+](CCNC(=O)C1=CC=C(C=CC(=O)[O-])O1)CC1=CC=CC=C1	REAL300002947046	1	56	0.0	-70.62	440.25	11.01	-59.61
CCCCC[N@H+](CCNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)CC1=CC=CC=C1	REAL300002947047	0	62	0.0	-53.98	451.77	12.13	-41.85
CCCCC[N@@H+](CCNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)CC1=CC=CC=C1	REAL300002947047	1	62	0.0	-57.21	451.78	12.13	-45.08
CCCCC[N@H+](CCNC(=O)C1=CC=C(OCC(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300002947048	0	59	0.0	-77.61	451.64	11.71	-65.90
CCCCC[N@@H+](CCNC(=O)C1=CC=C(OCC(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300002947048	1	59	0.0	-77.69	451.70	11.71	-65.98
CCCCC[N@H+](CCNC(=O)CCSCC(=O)[O-])CC1=CC=CC=C1	REAL300002947049	0	55	0.0	-73.88	430.47	10.62	-63.26
CCCCC[N@@H+](CCNC(=O)CCSCC(=O)[O-])CC1=CC=CC=C1	REAL300002947049	1	55	0.0	-75.94	436.01	10.89	-65.05
CCCCC[N@H+](CCNC(=O)C1=CC=C(C(=O)[O-])C=N1)CC1=CC=CC=C1	REAL300002947050	0	54	0.0	-68.28	418.10	9.69	-58.59
CCCCC[N@@H+](CCNC(=O)C1=CC=C(C(=O)[O-])C=N1)CC1=CC=CC=C1	REAL300002947050	1	54	0.0	-68.21	418.10	9.70	-58.51
CCCCC[N@H+](CCNC(=O)COCC(=O)[O-])CC1=CC=CC=C1	REAL300002947051	0	52	0.0	-78.49	399.57	9.28	-69.21
CCCCC[N@@H+](CCNC(=O)COCC(=O)[O-])CC1=CC=CC=C1	REAL300002947051	1	52	0.0	-78.49	399.63	9.28	-69.21
CCCCC[N@H+](CCNC(=O)C1=CC(C(=O)[O-])=NN1C)CC1=CC=CC=C1	REAL300002947052	0	55	0.0	-76.75	422.59	9.08	-67.67
CCCCC[N@@H+](CCNC(=O)C1=CC(C(=O)[O-])=NN1C)CC1=CC=CC=C1	REAL300002947052	1	55	0.0	-76.97	422.65	9.08	-67.89
CCCCC[N@H+](CCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)CC1=CC=CC=C1	REAL300002947053	0	59	0.0	-84.54	454.86	11.57	-72.97
CCCCC[N@@H+](CCNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)CC1=CC=CC=C1	REAL300002947053	1	59	0.0	-81.05	442.76	10.93	-70.12
CCCCC[N@H+](CCNC(=O)C(C)(C)CCC(=O)[O-])CC1=CC=CC=C1	REAL300002947054	0	60	0.0	-78.88	438.60	10.98	-67.90
CCCCC[N@@H+](CCNC(=O)C(C)(C)CCC(=O)[O-])CC1=CC=CC=C1	REAL300002947054	1	60	0.0	-78.85	438.66	10.98	-67.87
CCCCC[N@H+](CCNC(=O)C1=CC=C(CC(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300002947055	0	58	0.0	-74.82	442.82	12.20	-62.62
CCCCC[N@@H+](CCNC(=O)C1=CC=C(CC(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300002947055	1	58	0.0	-73.92	442.88	12.20	-61.72
CCCCC[N@H+](CCNC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300002947056	0	59	0.0	-79.63	452.71	12.72	-66.91
CCCCC[N@@H+](CCNC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300002947056	1	59	0.0	-79.67	452.77	12.73	-66.94
CCCCC[N@H+](CCNC(=O)C=CC1=CC(C(=O)[O-])=CO1)CC1=CC=CC=C1	REAL300002947057	0	56	0.0	-77.39	439.71	10.87	-66.52
CCCCC[N@@H+](CCNC(=O)C=CC1=CC(C(=O)[O-])=CO1)CC1=CC=CC=C1	REAL300002947057	1	56	0.0	-79.49	445.25	11.14	-68.35
CCCCC[N@H+](CCNC(=O)C1=CC=CC=C1CCC(=O)[O-])CC1=CC=CC=C1	REAL300002947058	0	61	0.0	-81.42	467.26	13.58	-67.84
CCCCC[N@@H+](CCNC(=O)C1=CC=CC=C1CCC(=O)[O-])CC1=CC=CC=C1	REAL300002947058	1	61	0.0	-77.96	455.65	12.96	-65.00
CCCCC[N@H+](CCNC(=O)C=CC1=CC=C(C(=O)[O-])O1)CC1=CC=CC=C1	REAL300002947059	0	56	0.0	-75.09	453.20	11.88	-63.21
CCCCC[N@@H+](CCNC(=O)C=CC1=CC=C(C(=O)[O-])O1)CC1=CC=CC=C1	REAL300002947059	1	56	0.0	-74.45	446.78	11.50	-62.95
CCCCC[N@H+](CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002947060	0	58	0.0	-80.24	429.16	11.02	-69.22
CCCCC[N@@H+](CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002947060	1	58	0.0	-81.97	439.23	11.65	-70.32
CCCCC[N@H+](CCNC(=O)C1=CC=C(C)C(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002947061	0	58	0.0	-84.62	437.17	11.99	-72.63
CCCCC[N@@H+](CCNC(=O)C1=CC=C(C)C(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002947061	1	58	0.0	-86.61	440.35	12.04	-74.57
CCCCC[N@H+](CCNC(=O)C1=CN=CC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002947062	0	54	0.0	-78.60	415.80	9.63	-68.97
CCCCC[N@@H+](CCNC(=O)C1=CN=CC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002947062	1	54	0.0	-78.65	415.86	9.63	-69.02
CCCCC[N@H+](CCNC(=O)C1=CC(C(=O)[O-])=CN=C1C)CC1=CC=CC=C1	REAL300002947063	0	57	0.0	-66.21	443.59	10.89	-55.32
CCCCC[N@@H+](CCNC(=O)C1=CC(C(=O)[O-])=CN=C1C)CC1=CC=CC=C1	REAL300002947063	1	57	0.0	-65.75	432.41	10.31	-55.44
CCCCC[N@H+](CCNC(=O)CN1C=CC(C(=O)[O-])=N1)CC1=CC=CC=C1	REAL300002947064	0	55	0.0	-92.15	426.71	9.59	-82.56
CCCCC[N@@H+](CCNC(=O)CN1C=CC(C(=O)[O-])=N1)CC1=CC=CC=C1	REAL300002947064	1	55	0.0	-93.22	426.77	9.59	-83.63
CCCCC[N@H+](CCNC(=O)[C@H]1CC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300002947065	0	55	0.0	-61.52	407.66	10.20	-51.32
CCCCC[N@@H+](CCNC(=O)[C@H]1CC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300002947065	1	55	0.0	-55.75	407.78	10.19	-45.56
CCCCC[N@H+](CCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)CC1=CC=CC=C1	REAL300002947066	0	62	0.0	-82.65	464.21	11.36	-71.29
CCCCC[N@@H+](CCNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)CC1=CC=CC=C1	REAL300002947066	1	62	0.0	-83.01	463.94	11.35	-71.66
CCCCC[N@H+](CCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)CC1=CC=CC=C1	REAL300002947067	0	62	0.0	-77.60	475.43	10.85	-66.75
CCCCC[N@@H+](CCNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)CC1=CC=CC=C1	REAL300002947067	1	62	0.0	-76.12	463.19	10.21	-65.91
CCCCC[N@H+](CCNC(=O)[C@H]1CC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300002947068	0	55	0.0	-61.52	407.66	10.20	-51.32
CCCCC[N@@H+](CCNC(=O)[C@H]1CC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300002947068	1	55	0.0	-55.75	407.78	10.19	-45.56
CCCCC[N@H+](CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300002947069	0	52	0.0	-65.25	395.43	9.85	-55.40
CCCCC[N@@H+](CCNC(=O)[C@H]1C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300002947069	1	52	0.0	-59.28	395.10	9.84	-49.44
CCCCC[N@H+](CCNC(=O)C1=C(C)C=C(C(=O)[O-])O1)CC1=CC=CC=C1	REAL300002947070	0	55	0.0	-66.87	424.88	10.50	-56.37
CCCCC[N@@H+](CCNC(=O)C1=C(C)C=C(C(=O)[O-])O1)CC1=CC=CC=C1	REAL300002947070	1	55	0.0	-66.72	424.93	10.50	-56.22
CCCCC[N@H+](CCNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300002947071	0	63	0.0	-56.74	452.04	12.58	-44.16
CCCCC[N@@H+](CCNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300002947071	1	63	0.0	-58.69	455.99	12.77	-45.92
CCCCC[N@H+](CCNC(=O)C(CC)C(=O)[O-])CC1=CC=CC=C1	REAL300002947072	0	54	0.0	-57.23	400.24	9.94	-47.29
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CCCCC[N@H+](CCNC(=O)C(C(=O)[O-])C(C)C)CC1=CC=CC=C1	REAL300002947073	0	57	0.0	-57.21	416.07	10.52	-46.69
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CCCCC[N@@H+](CCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300002947074	1	61	0.0	-75.00	445.41	12.82	-62.18
CCCCC[N@H+](CCNC(=O)CN1CCCC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002947075	1	63	0.0	-74.44	459.88	9.47	-64.97
CCCCC[N@@H+](CCNC(=O)CN1CCCC(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002947075	1	63	0.0	-74.08	459.88	9.47	-64.61
CCCCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300002947076	0	52	0.0	-71.65	397.01	9.95	-61.70
CCCCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300002947076	1	52	0.0	-72.46	397.03	9.95	-62.51
CCCCC[N@H+](CCNC(=O)C1CC2(CC2C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002947077	0	59	0.0	-77.70	444.49	11.83	-65.87
CCCCC[N@@H+](CCNC(=O)C1CC2(CC2C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002947077	1	59	0.0	-78.28	447.25	12.02	-66.26
CCCCC[N@H+](CCNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)CC1=CC=CC=C1	REAL300002947078	0	55	0.0	-76.07	412.33	10.40	-65.67
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CCCCC[N@H+](CCNC(=O)C1=C(C(=O)[O-])SC=C1)CC1=CC=CC=C1	REAL300002947082	0	52	0.0	-75.53	409.56	11.28	-64.25
CCCCC[N@@H+](CCNC(=O)C1=C(C(=O)[O-])SC=C1)CC1=CC=CC=C1	REAL300002947082	1	52	0.0	-76.47	410.52	11.24	-65.23
CCCCC[N@H+](CCNC(=O)C1=CC(C(=O)[O-])=NN1)CC1=CC=CC=C1	REAL300002947083	0	52	0.0	-82.26	404.56	7.85	-74.41
CCCCC[N@@H+](CCNC(=O)C1=CC(C(=O)[O-])=NN1)CC1=CC=CC=C1	REAL300002947083	1	52	0.0	-82.29	404.56	7.85	-74.44
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CCCCC[N@H+](CCNC(=O)C(CCC)C(=O)[O-])CC1=CC=CC=C1	REAL300002947085	0	57	0.0	-57.35	421.74	10.71	-46.64
CCCCC[N@@H+](CCNC(=O)C(CCC)C(=O)[O-])CC1=CC=CC=C1	REAL300002947085	1	57	0.0	-53.45	421.81	10.71	-42.74
CCCCC[N@H+](CCNC(=O)C1=CC=C(C(=O)[O-])C=C1C)CC1=CC=CC=C1	REAL300002947086	0	58	0.0	-79.90	448.20	12.71	-67.19
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CCCCC[N@@H+](CCNC(=O)C1=CC=C(C(=O)[O-])N1C)CC1=CC=CC=C1	REAL300002947089	1	56	0.0	-77.65	422.91	10.61	-67.04
CCCCC[N@H+](CCNC(=O)C1(C(=O)[O-])CC=CC1)CC1=CC=CC=C1	REAL300002947090	0	56	0.0	-56.86	429.06	11.61	-45.25
CCCCC[N@@H+](CCNC(=O)C1(C(=O)[O-])CC=CC1)CC1=CC=CC=C1	REAL300002947090	1	56	0.0	-56.23	422.64	11.23	-45.00
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CCCCC[N@@H+](CCNC(=O)C1=C(C(=O)[O-])C(C)=NN1)CC1=CC=CC=C1	REAL300002947092	1	55	0.0	-78.40	427.58	9.87	-68.53
CCCCC[N@H+](CCNC(=O)CC1(CC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300002947093	0	58	0.0	-67.26	443.67	11.75	-55.51
CCCCC[N@@H+](CCNC(=O)CC1(CC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300002947093	1	58	0.0	-67.48	435.54	11.37	-56.11
CCCCC[N@H+](CCNC(=O)C1=CSC(C(=O)[O-])=N1)CC1=CC=CC=C1	REAL300002947094	0	51	0.0	-62.64	410.37	8.57	-54.07
CCCCC[N@@H+](CCNC(=O)C1=CSC(C(=O)[O-])=N1)CC1=CC=CC=C1	REAL300002947094	1	51	0.0	-60.73	421.71	9.19	-51.54
CCCCC[N@H+](CCNC(=O)C(OC)C(=O)[O-])CC1=CC=CC=C1	REAL300002947095	0	52	0.0	-59.09	396.67	9.14	-49.95
CCCCC[N@@H+](CCNC(=O)C(OC)C(=O)[O-])CC1=CC=CC=C1	REAL300002947095	1	52	0.0	-59.39	401.55	9.43	-49.96
CCCCC[N@H+](CCNC(=O)[C@@]1(C)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300002947096	0	55	0.0	-70.87	415.54	10.33	-60.54
CCCCC[N@@H+](CCNC(=O)[C@@]1(C)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300002947096	1	55	0.0	-77.41	408.95	11.44	-65.97
CCCCC[N@H+](CCNC(=O)C1=C(C)SC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002947097	0	55	0.0	-68.10	441.85	11.91	-56.19
CCCCC[N@@H+](CCNC(=O)C1=C(C)SC(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300002947097	1	55	0.0	-67.65	430.81	11.25	-56.40
CCCCC[N@H+](CCNC(=O)CCC1=CC=CN=C1C(=O)[O-])CC1=CC=CC=C1	REAL300002947098	0	60	0.0	-76.15	466.34	11.52	-64.63
CCCCC[N@@H+](CCNC(=O)CCC1=CC=CN=C1C(=O)[O-])CC1=CC=CC=C1	REAL300002947098	1	60	0.0	-77.42	454.35	10.88	-66.54
CCCCC[N@H+](CCNC(=O)C12CC(C(=O)[O-])(C1)CO2)CC1=CC=CC=C1	REAL300002947099	0	57	0.0	-70.47	430.51	9.01	-61.46
CCCCC[N@@H+](CCNC(=O)C12CC(C(=O)[O-])(C1)CO2)CC1=CC=CC=C1	REAL300002947099	1	57	0.0	-71.70	435.99	9.29	-62.41
CCCCC[N@H+](CCNC(=O)C(C)C(=O)[O-])CC1=CC=CC=C1	REAL300002947100	0	51	0.0	-74.54	383.28	10.06	-64.48
CCCCC[N@@H+](CCNC(=O)C(C)C(=O)[O-])CC1=CC=CC=C1	REAL300002947100	1	51	0.0	-73.53	381.78	10.12	-63.41
CCCCC[N@H+](CCNC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300002947101	0	59	0.0	-81.45	455.04	12.61	-68.84
CCCCC[N@@H+](CCNC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300002947101	1	59	0.0	-81.50	455.16	12.62	-68.88
CCCCC[N@H+](CCNC(=O)C1(C(=O)[O-])CC1C)CC1=CC=CC=C1	REAL300002947102	0	55	0.0	-55.30	419.08	11.36	-43.94
CCCCC[N@@H+](CCNC(=O)C1(C(=O)[O-])CC1C)CC1=CC=CC=C1	REAL300002947102	1	55	0.0	-52.36	416.94	10.87	-41.49
CCCCC[N@H+](CCNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)CC1=CC=CC=C1	REAL300002947103	0	62	0.0	-53.98	451.77	12.13	-41.85
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CCCCC[N@H+](CCNC(=O)C1=C(C(=O)[O-])C=NN1C)CC1=CC=CC=C1	REAL300002947104	0	55	0.0	-69.10	426.48	8.83	-60.27
CCCCC[N@@H+](CCNC(=O)C1=C(C(=O)[O-])C=NN1C)CC1=CC=CC=C1	REAL300002947104	1	55	0.0	-74.88	426.45	8.84	-66.04
CCCCC[N@H+](CCNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)CC1=CC=CC=C1	REAL300002947105	0	56	0.0	-71.14	437.22	9.58	-61.56
CCCCC[N@@H+](CCNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)CC1=CC=CC=C1	REAL300002947105	1	56	0.0	-71.22	436.90	9.56	-61.66
CCCCC[N@H+](CCNC(=O)C1=CC=CC(C(=O)[O-])=C1C)CC1=CC=CC=C1	REAL300002947106	0	58	0.0	-83.18	430.65	11.96	-71.22
CCCCC[N@@H+](CCNC(=O)C1=CC=CC(C(=O)[O-])=C1C)CC1=CC=CC=C1	REAL300002947106	1	58	0.0	-85.17	441.62	12.61	-72.56
CCCCC[N@H+](CCNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)CC1=CC=CC=C1	REAL300002947107	0	58	0.0	-83.12	450.99	10.84	-72.28
CCCCC[N@@H+](CCNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)CC1=CC=CC=C1	REAL300002947107	1	58	0.0	-83.14	450.99	10.84	-72.30
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CCCCC[N@H+](CCNC(=O)C1=CC(C(=O)[O-])=CS1)CC1=CC=CC=C1	REAL300002947109	0	52	0.0	-80.83	413.91	10.44	-70.39
CCCCC[N@@H+](CCNC(=O)C1=CC(C(=O)[O-])=CS1)CC1=CC=CC=C1	REAL300002947109	1	52	0.0	-82.63	425.26	11.06	-71.57
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CCCCC[N@@H+](CCNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300002947110	1	60	0.0	-65.40	441.19	9.51	-55.89
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C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300002950519	0	57	0.0	-81.79	440.98	13.71	-68.08
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300002950519	1	57	0.0	-82.91	440.93	13.70	-69.21
CC1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002950521	0	57	0.0	-61.90	408.67	11.84	-50.06
C[NH+](C)CC1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCCCC1	REAL300002950606	0	53	0.0	-56.68	363.22	10.47	-46.21
C[N@H+](CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1CCCCC1	REAL300002950610	0	53	0.0	-61.29	387.07	10.62	-50.67
C[N@@H+](CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1CCCCC1	REAL300002950610	1	53	0.0	-61.30	387.06	10.61	-50.69
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@H]1C1CC1	REAL300002950633	1	54	0.0	-55.26	398.13	11.72	-43.54
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C[C@H]1C1CC1	REAL300002950633	1	54	0.0	-55.58	407.88	11.94	-43.64
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@H]1C1CC1	REAL300002950634	1	51	0.0	-56.07	393.05	11.15	-44.92
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C[C@H]1C1CC1	REAL300002950634	1	51	0.0	-54.94	393.24	11.17	-43.77
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C[C@H]1C1CC1	REAL300002950691	0	47	0.0	-65.84	373.81	9.20	-56.64
C[NH+](C)CCN1N=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1C1=CC=CC=C1	REAL300002950696	0	57	0.0	-70.67	434.28	11.26	-59.41
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@H]1C1CC1	REAL300002950721	0	54	0.0	-53.70	377.82	10.60	-43.10
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C[C@H]1C1CC1	REAL300002950721	1	54	0.0	-53.42	381.71	10.76	-42.66
O=C([O-])[C@@H]1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@H]1C1CC1	REAL300002950722	0	55	0.0	-83.06	393.52	8.83	-74.23
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002950753	1	45	0.0	-60.35	359.65	9.93	-50.42
O=C([O-])[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C1CC1	REAL300002950754	1	51	0.0	-66.97	386.93	8.61	-58.36
CC[N@H+](CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1)C(C)C	REAL300002950756	0	56	0.0	-66.74	407.25	11.59	-55.15
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1)C(C)C	REAL300002950756	1	56	0.0	-62.73	396.69	10.99	-51.74
O=C([O-])[C@@H]1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1C1CC1	REAL300002950781	0	51	0.0	-55.33	382.58	11.09	-44.24
O=C([O-])[C@@H]1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1C1CC1	REAL300002950781	1	51	0.0	-57.52	385.21	11.14	-46.38
O=C([O-])[C@@H]1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C[C@H]1C1CC1	REAL300002950782	0	52	0.0	-82.70	388.15	10.52	-72.18
C[NH+]1CCN(C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C2=CC=CC=C2)CC1	REAL300002950811	1	56	0.0	-67.41	421.74	9.98	-57.43
O=C([O-])[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@H]1C1CC1	REAL300002950812	0	55	0.0	-60.40	386.99	8.90	-51.50
CC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300002950815	0	50	0.0	-56.44	380.71	10.92	-45.52
CC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300002950815	1	50	0.0	-52.00	375.29	10.75	-41.25
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C[C@H]1C1CC1	REAL300002950826	0	57	0.0	-62.91	426.33	12.78	-50.13
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C[C@H]1C1CC1	REAL300002950826	1	57	0.0	-60.13	422.80	12.96	-47.17
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=N1	REAL300002950855	0	46	0.0	-65.41	351.24	8.03	-57.38
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002950866	0	55	0.0	-63.21	411.22	11.23	-51.98
O=C([O-])[C@@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C[C@H]1C1CC1	REAL300002950867	1	55	0.0	-53.99	406.81	8.30	-45.69
CC[N@H+](C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1=CC=CC=C1	REAL300002950868	0	50	0.0	-53.67	375.96	10.83	-42.84
CC[N@@H+](C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1=CC=CC=C1	REAL300002950868	1	50	0.0	-53.35	376.16	10.92	-42.43
CC[NH+](CC)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1=CC=CC=C1	REAL300002950873	0	53	0.0	-52.76	384.74	11.73	-41.03
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002950879	1	45	0.0	-54.65	354.44	9.72	-44.93
C[NH+](C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1=CC=C(Cl)C=C1	REAL300002950881	1	47	0.0	-47.36	368.92	10.59	-36.77
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C[C@H]1C1CC1	REAL300002950895	0	51	0.0	-65.46	382.52	10.98	-54.48
O=C([O-])[C@@H]1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C[C@H]1C1CC1	REAL300002950902	0	54	0.0	-91.98	405.84	11.95	-80.03
CCN1CCC([NH+]2CCC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)CC2)CC1	REAL300002950909	0	62	0.0	-80.81	436.45	9.53	-71.28
CC1C[NH+](CC2=CC=C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C2)CC(C)O1	REAL300002950916	1	58	0.0	-68.60	432.59	10.72	-57.88
O=C([O-])[C@@H]1CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@H]1C1CC1	REAL300002950927	1	55	0.0	-69.74	416.25	11.51	-58.23
O=C([O-])[C@@H]1CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@H]1C1CC1	REAL300002950927	1	55	0.0	-69.35	423.01	11.57	-57.78
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C[C@H]1C1CC1	REAL300002950942	0	54	0.0	-50.97	391.71	11.65	-39.32
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C[C@H]1C1CC1	REAL300002950942	1	54	0.0	-50.22	398.90	11.87	-38.35
CC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=NN1C1=CC=[NH+]C=C1	REAL300002950944	1	45	0.0	-72.26	353.91	8.33	-63.93
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C[C@H]1C1CC1	REAL300002950952	0	54	0.0	-65.77	399.26	11.69	-54.08
O=C([O-])[C@@H]1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C[C@H]1C1CC1	REAL300002950964	1	47	0.0	-69.03	363.70	9.19	-59.84
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300002950965	0	50	0.0	-69.50	380.20	10.68	-58.82
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002950976	1	43	0.0	-52.56	338.08	7.63	-44.93
O=C([O-])[C@@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@H]1C1CC1	REAL300002950977	1	52	0.0	-59.42	398.65	10.82	-48.60
O=C([O-])[C@@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@H]1C1CC1	REAL300002950977	1	52	0.0	-60.82	392.19	10.66	-50.16
CC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002950991	0	60	0.0	-56.61	438.14	13.12	-43.49
CC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[NH+]1CCSCC1	REAL300002951031	1	45	0.0	-57.39	340.36	8.65	-48.74
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951038	0	50	0.0	-62.94	388.34	11.44	-51.50
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951038	1	50	0.0	-53.48	381.49	11.25	-42.23
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951039	0	54	0.0	-62.40	416.80	7.64	-54.76
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951039	1	54	0.0	-62.38	415.74	7.58	-54.80
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	REAL300002951043	0	48	0.0	-61.27	354.65	7.42	-53.85
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	REAL300002951043	1	48	0.0	-59.27	359.29	7.41	-51.86
O=C([O-])[C@@H]1CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@H]1C1CC1	REAL300002951053	0	59	0.0	-67.41	441.85	11.10	-56.31
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C[C@H]1C1CC1	REAL300002951054	1	53	0.0	-56.58	389.59	9.90	-46.68
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C[C@H]1C1CC1	REAL300002951054	1	53	0.0	-54.30	393.89	10.13	-44.17
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C[C@H]1C1CC1	REAL300002951055	1	53	0.0	-57.32	400.31	10.28	-47.04
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C[C@H]1C1CC1	REAL300002951055	1	53	0.0	-57.23	400.70	10.32	-46.91
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951057	0	52	0.0	-53.51	392.77	10.76	-42.75
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951057	1	52	0.0	-59.19	392.39	10.75	-48.44
C[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1CCSC1	REAL300002951086	0	45	0.0	-54.22	348.55	9.24	-44.98
C[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1CCSC1	REAL300002951086	1	45	0.0	-62.42	348.03	9.24	-53.18
CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300002951101	0	55	0.0	-62.18	398.91	7.80	-54.38
CC(C)N1CC[NH+](CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300002951101	1	55	0.0	-59.81	402.32	8.07	-51.74
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300002951102	0	58	0.0	-63.26	425.55	9.01	-54.25
CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300002951102	1	58	0.0	-63.38	421.23	8.77	-54.61
O=C([O-])[C@@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)C[C@H]1C1CC1	REAL300002951103	0	48	0.0	-49.81	355.08	9.69	-40.12
O=C([O-])[C@@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)C[C@H]1C1CC1	REAL300002951103	1	48	0.0	-47.97	347.06	9.49	-38.48
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=N1	REAL300002951105	0	47	0.0	-70.42	361.56	7.94	-62.48
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)CC2)=C1	REAL300002951112	0	59	0.0	-64.02	444.35	11.07	-52.95
O=C([O-])[C@@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@H]1C1CC1	REAL300002951114	0	56	0.0	-63.92	422.94	10.40	-53.52
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C[C@H]1C1CC1	REAL300002951117	0	53	0.0	-66.02	400.70	10.07	-55.95
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C[C@H]1C1CC1	REAL300002951117	1	53	0.0	-63.01	394.52	10.23	-52.78
CC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300002951122	0	51	0.0	-49.55	373.35	11.05	-38.50
CC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300002951122	1	51	0.0	-46.40	379.20	11.15	-35.25
CCC(CC)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[NH+]1CCOCC1	REAL300002951141	1	57	0.0	-52.82	394.92	8.90	-43.92
O=C([O-])[C@@H]1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1C1CC1	REAL300002951150	0	54	0.0	-65.35	415.20	12.28	-53.07
O=C([O-])[C@@H]1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1C1CC1	REAL300002951150	1	54	0.0	-60.78	405.92	11.99	-48.79
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=N1	REAL300002951165	0	47	0.0	-65.99	367.83	8.49	-57.50
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951166	0	47	0.0	-62.65	362.26	8.15	-54.50
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951172	1	48	0.0	-50.96	368.27	10.06	-40.90
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=NN1	REAL300002951176	1	48	0.0	-69.39	360.68	7.55	-61.84
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=NN1	REAL300002951176	1	48	0.0	-71.13	365.83	7.94	-63.19
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C[C@H]1C1CC1	REAL300002951188	0	54	0.0	-59.48	399.54	11.98	-47.50
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C[C@H]1C1CC1	REAL300002951188	1	54	0.0	-78.86	415.91	12.17	-66.69
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C[C@H]1C1CC1	REAL300002951189	1	50	0.0	-52.70	380.31	9.38	-43.32
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C[C@H]1C1CC1	REAL300002951189	1	50	0.0	-52.13	377.13	9.46	-42.67
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951193	0	48	0.0	-76.44	358.55	7.51	-68.93
O=C([O-])[C@@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C[C@H]1C1CC1	REAL300002951194	0	55	0.0	-56.92	412.94	9.63	-47.29
O=C([O-])[C@@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C1CC1	REAL300002951248	0	54	0.0	-59.22	391.47	10.78	-48.44
O=C([O-])[C@@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C[C@H]1C1CC1	REAL300002951248	1	54	0.0	-57.18	387.82	10.60	-46.58
O=C([O-])[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C1CC1	REAL300002951267	0	48	0.0	-63.36	331.26	8.46	-54.90
O=C([O-])[C@@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)C[C@H]1C1CC1	REAL300002951271	0	48	0.0	-52.81	348.77	9.43	-43.38
O=C([O-])[C@@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)C[C@H]1C1CC1	REAL300002951271	1	48	0.0	-52.17	354.25	9.78	-42.39
O=C([O-])[C@@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C[C@H]1C1CC1	REAL300002951273	0	59	0.0	-64.07	432.23	11.23	-52.84
O=C([O-])[C@@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C[C@H]1C1CC1	REAL300002951273	1	59	0.0	-58.66	440.96	11.23	-47.43
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951280	0	51	0.0	-57.64	364.37	7.60	-50.04
CC(C)[N@@H+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C2=CN(C)N=C2)C1	REAL300002951285	0	60	0.0	-64.06	427.83	10.12	-53.94
CC(C)[N@H+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C2=CN(C)N=C2)C1	REAL300002951285	1	60	0.0	-61.49	422.07	9.82	-51.67
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=N1	REAL300002951286	0	54	0.0	-69.27	408.80	9.55	-59.72
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=N1	REAL300002951286	1	54	0.0	-71.20	393.02	9.05	-62.15
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=C2)CC1	REAL300002951291	0	56	0.0	-78.87	422.89	9.53	-69.34
C[NH+]1CCN(CC2=CC=C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C2)CC1	REAL300002951292	0	56	0.0	-67.41	416.32	9.26	-58.15
CN1CC[NH+](CC2=CC=C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C2)CC1	REAL300002951292	1	56	0.0	-66.32	415.79	9.14	-57.18
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300002951293	0	57	0.0	-63.99	422.39	10.95	-53.04
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300002951299	0	50	0.0	-60.65	363.66	9.58	-51.07
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C[C@H]1C1CC1	REAL300002951413	0	58	0.0	-68.08	430.95	9.00	-59.08
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300002951417	0	47	0.0	-93.46	364.28	10.09	-83.37
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1C1CC1	REAL300002951418	0	54	0.0	-62.19	405.85	11.92	-50.27
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1C1CC1	REAL300002951418	1	54	0.0	-60.53	400.25	12.09	-48.44
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300002951484	0	46	0.0	-81.04	350.85	9.39	-71.65
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951486	0	50	0.0	-53.45	367.38	9.87	-43.58
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951486	1	50	0.0	-53.43	368.93	9.92	-43.51
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951488	0	47	0.0	-58.59	359.58	10.05	-48.54
CC[NH+]1CCN(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300002951490	0	52	0.0	-62.54	385.57	7.57	-54.97
CCN1CC[NH+](CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300002951490	1	52	0.0	-59.87	388.75	7.72	-52.15
CC(C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[NH+]1CCCCC1	REAL300002951492	0	53	0.0	-53.07	374.95	10.37	-42.70
C[NH+](C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1=CC=CC=C1	REAL300002951493	1	47	0.0	-54.31	360.79	10.27	-44.04
O=C([O-])[C@@H]1CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1C1CC1	REAL300002951497	0	52	0.0	-61.37	400.93	8.45	-52.92
O=C([O-])[C@@H]1CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1C1CC1	REAL300002951497	1	52	0.0	-53.19	392.59	8.82	-44.37
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951503	1	48	0.0	-55.37	372.64	10.10	-45.27
C[NH+](C)CC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)OC2=CC=CC=C21	REAL300002951504	0	50	0.0	-63.34	384.59	10.71	-52.63
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@H]1C1CC1	REAL300002951509	0	51	0.0	-50.65	357.76	10.49	-40.16
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@H]1C1CC1	REAL300002951509	1	51	0.0	-53.75	374.05	10.34	-43.41
O=C([O-])[C@@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C[C@H]1C1CC1	REAL300002951537	1	52	0.0	-53.32	399.39	11.80	-41.52
CC(C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[NH+]1CC(C)OC(C)C1	REAL300002951538	1	57	0.0	-52.42	399.16	8.72	-43.70
CC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)[NH+]1CCCCCC1	REAL300002951539	0	50	0.0	-54.10	357.57	9.33	-44.77
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=CC=C1N2	REAL300002951575	1	52	0.0	-73.49	390.58	10.27	-63.22
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=CC=C1N2	REAL300002951575	1	52	0.0	-81.55	397.77	10.50	-71.05
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)O1	REAL300002951633	0	50	0.0	-55.33	379.74	10.03	-45.30
O=C([O-])[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C1CC1	REAL300002951634	0	50	0.0	-63.73	378.89	10.27	-53.46
CC1=CC=C(N2CCC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)CC2)[NH+]=C1	REAL300002951636	1	53	0.0	-59.97	402.46	9.80	-50.17
C[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)CC1=CC=CC=C1	REAL300002951637	1	47	0.0	-61.74	365.86	10.60	-51.14
C[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)CC1=CC=CC=C1	REAL300002951637	1	47	0.0	-52.17	359.02	10.41	-41.76
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C2)CC1	REAL300002951641	0	59	0.0	-67.80	432.68	10.47	-57.33
O=C([O-])[C@@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@H]1C1CC1	REAL300002951655	1	42	0.0	-70.99	336.55	7.90	-63.09
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=NO1	REAL300002951684	1	43	0.0	-70.74	338.52	8.05	-62.69
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951690	0	54	0.0	-61.11	412.14	11.93	-49.18
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951690	1	54	0.0	-60.79	410.61	11.89	-48.90
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300002951714	0	55	0.0	-70.68	430.49	11.45	-59.23
C[NH+]1CCC(OCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300002951731	0	48	0.0	-64.27	362.27	8.99	-55.28
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C[C@H]1C1CC1	REAL300002951737	0	51	0.0	-62.46	390.54	10.64	-51.82
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)[C@@H](C(F)(F)F)C1	REAL300002951778	0	53	0.0	-65.56	399.35	10.02	-55.54
CC(C)(C)[N@H+]1C[C@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)[C@@H](C(F)(F)F)C1	REAL300002951778	1	53	0.0	-57.86	392.03	9.87	-47.99
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	REAL300002951922	0	50	0.0	-54.44	361.87	9.58	-44.86
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	REAL300002951922	1	50	0.0	-53.83	361.30	9.71	-44.12
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951954	0	50	0.0	-52.43	369.66	10.04	-42.39
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300002951954	1	50	0.0	-50.65	353.62	10.07	-40.58
O=C([O-])[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@H]1C1CC1	REAL300002951957	0	48	0.0	-60.01	362.05	6.16	-53.85
O=C([O-])[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C[C@H]1C1CC1	REAL300002952051	0	55	0.0	-59.78	409.40	12.10	-47.68
O=C([O-])[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C[C@H]1C1CC1	REAL300002952051	1	55	0.0	-61.92	415.18	12.21	-49.71
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C[C@H]1C1CC1	REAL300002952089	1	54	0.0	-59.05	400.85	11.70	-47.35
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C[C@H]1C1CC1	REAL300002952089	1	54	0.0	-57.39	412.20	12.16	-45.23
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	REAL300002952178	0	50	0.0	-72.18	367.30	9.71	-62.47
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	REAL300002952178	1	50	0.0	-58.97	363.58	9.52	-49.45
C[N@@H+]1CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C(F)(F)F)C1	REAL300002952179	0	44	0.0	-71.35	343.75	8.30	-63.05
C[N@H+]1CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C(F)(F)F)C1	REAL300002952179	1	44	0.0	-65.53	349.19	8.56	-56.97
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)N1	REAL300002952205	1	45	0.0	-56.32	358.88	8.30	-48.02
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300002952679	0	50	0.0	-94.94	386.77	10.94	-84.00
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300002952685	0	51	0.0	-65.65	387.50	9.60	-56.05
O=C([O-])[C@@H]1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C[C@H]1C1CC1	REAL300002952775	0	57	0.0	-67.25	428.54	12.97	-54.28
CC1C[N@H+](CC2=CC=C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C2)CCO1	REAL300002952777	1	55	0.0	-71.15	417.33	10.29	-60.86
CC1C[N@@H+](CC2=CC=C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C2)CCO1	REAL300002952777	1	55	0.0	-67.90	402.95	10.06	-57.84
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1	REAL300002952820	0	50	0.0	-62.61	350.48	9.22	-53.39
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	REAL300002952886	0	53	0.0	-52.38	373.15	10.42	-41.96
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	REAL300002952886	1	53	0.0	-52.38	373.15	10.42	-41.96
CN(C)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)O1	REAL300002952891	0	44	0.0	-57.56	343.93	8.67	-48.89
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)O1	REAL300002952891	1	44	0.0	-57.56	343.93	8.67	-48.89
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	REAL300002952896	0	53	0.0	-81.28	363.32	9.18	-72.10
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1	REAL300002952896	1	53	0.0	-81.28	363.32	9.18	-72.10
O=C([O-])[C@@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C[C@H]1C1CC1	REAL300002952899	0	46	0.0	-71.28	334.49	10.19	-61.09
CC1(C)CCC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300002952982	0	51	0.0	-52.98	375.40	9.11	-43.87
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC2CCCO2)C(F)(F)F)C1	REAL300002953111	1	47	0.0	-52.85	363.18	6.90	-45.95
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC2CCCO2)C(F)(F)F)C1	REAL300002953111	1	47	0.0	-46.34	366.58	7.35	-38.99
O=C([O-])CN1C=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300002954478	0	47	0.0	-77.26	372.23	9.86	-67.40
O=C([O-])CN1C=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300002955260	1	44	0.0	-67.67	356.41	9.34	-58.33
O=C([O-])CN1C=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300002955260	1	44	0.0	-66.02	355.03	9.28	-56.74
CC1=[NH+]C=C2CCC(C(=O)NC3=NN(CC(=O)[O-])C=C3)CN21	REAL300002956126	1	39	0.0	-65.01	318.77	7.35	-57.66
O=C([O-])CN1C=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=N1	REAL300002956127	0	47	0.0	-67.80	366.53	9.31	-58.49
CC1=NC(C[NH+]2CCC(C(=O)NC3=NN(CC(=O)[O-])C=C3)CC2)=CS1	REAL300002956192	1	46	0.0	-75.74	379.28	7.56	-68.18
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CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC2(CCCCC2)O1	REAL300002968526	1	54	0.0	-43.80	376.11	8.94	-34.86
COC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C(C2CC2)C=C1Cl	REAL300002968642	1	48	0.0	-50.55	374.86	8.96	-41.59
COC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C(C2CC2)C=C1Cl	REAL300002968642	1	48	0.0	-51.96	375.69	9.40	-42.56
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC2=CC=CC=C2)C2=NC=CO2)C1	REAL300002968762	0	49	0.0	-54.57	385.67	6.91	-47.66
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC2=CC=CC=C2)C2=NC=CO2)C1	REAL300002968762	1	49	0.0	-47.82	384.84	6.45	-41.37
COC1=CC=C(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300002968880	0	48	0.0	-53.01	370.87	8.20	-44.81
COC1=CC=C(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300002968880	1	48	0.0	-53.34	372.05	8.23	-45.11
CC(C)C[C@H](CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002970256	0	58	0.0	-71.93	425.04	11.11	-60.82
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300002971001	0	55	0.0	-53.80	401.46	9.99	-43.81
CC(C)C[C@H](CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300002971001	1	55	0.0	-58.42	401.28	9.96	-48.46
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)CC(=O)[O-]	REAL300002971849	1	55	0.0	-55.33	418.16	10.51	-44.82
CC(C)C[C@H](CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)CC(=O)[O-]	REAL300002971849	1	55	0.0	-61.34	417.99	10.48	-50.86
CC(C)C[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)CC(=O)[O-]	REAL300002971925	0	52	0.0	-69.03	373.37	8.78	-60.25
CC1=[NH+]C=C2CCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CN21	REAL300002971958	1	50	0.0	-59.44	371.18	8.58	-50.86
CC(C)C[C@H](CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)CC(=O)[O-]	REAL300002971959	0	58	0.0	-61.13	433.65	11.27	-49.86
CC1=NC(C[NH+]2CCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)=CS1	REAL300002972033	1	57	0.0	-67.53	437.88	9.09	-58.44
CC(C)C[C@H](CNC(=O)C(C)N1CC[NH+](C)CC1)CC(=O)[O-]	REAL300002972034	1	53	0.0	-67.92	377.16	5.72	-62.20
CC(C)C[C@H](CNC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300002972119	0	61	0.0	-76.18	458.02	10.61	-65.57
CC(C)C[C@H](CNC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300002972131	0	61	0.0	-75.95	458.79	12.99	-62.96
CC(C)C[C@H](CNC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300002972131	1	61	0.0	-75.92	458.37	12.92	-63.00
CC(C)C[C@H](CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002972133	0	61	0.0	-65.20	437.45	11.53	-53.67
CC(C)C[C@H](CNC(=O)C1=CN2C=[NH+]C=C2C=C1)CC(=O)[O-]	REAL300002972192	0	43	0.0	-68.15	334.10	9.43	-58.72
CC(C)C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)CC(=O)[O-]	REAL300002972222	0	57	0.0	-61.11	396.58	9.39	-51.72
CC(C)C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)CC(=O)[O-]	REAL300002972226	0	57	0.0	-65.82	402.37	9.51	-56.31
CC(C)C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)CC(=O)[O-]	REAL300002972226	1	57	0.0	-65.21	402.37	9.50	-55.71
CC(C)C[C@H](CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300002972248	1	58	0.0	-61.97	428.60	11.05	-50.92
CC(C)C[C@H](CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300002972248	1	58	0.0	-63.25	425.08	11.09	-52.16
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300002972249	1	55	0.0	-56.13	408.29	10.11	-46.02
CC(C)C[C@H](CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300002972249	1	55	0.0	-62.12	407.67	10.03	-52.09
CC(C)C[C@H](CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)CC(=O)[O-]	REAL300002972305	0	51	0.0	-73.87	392.48	8.49	-65.38
CC(C)C[C@H](CNC(=O)C1CCCC[N@@H+]1C1CCCC1)CC(=O)[O-]	REAL300002972333	0	58	0.0	-56.70	401.00	9.67	-47.03
CC(C)C[C@H](CNC(=O)C1CCCC[N@H+]1C1CCCC1)CC(=O)[O-]	REAL300002972333	1	58	0.0	-57.14	396.23	9.81	-47.33
CC(C)C[C@H](CNC(=O)C1CCC([NH+]2CCOCC2)CC1)CC(=O)[O-]	REAL300002972334	0	59	0.0	-68.67	421.07	8.37	-60.30
CC1=[NH+]C=CN1CCCC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002972366	1	49	0.0	-65.01	374.92	8.78	-56.23
CC(C)C[C@H](CNC(=O)CCCC[NH+]1CCOCC1)CC(=O)[O-]	REAL300002972367	1	55	0.0	-71.62	402.21	7.47	-64.15
CC[N@H+](CC1=CC=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=C1)C(C)C	REAL300002972369	0	60	0.0	-76.77	422.61	10.78	-65.99
CC[N@@H+](CC1=CC=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=C1)C(C)C	REAL300002972369	1	60	0.0	-75.69	421.46	10.56	-65.13
CC(C)C[C@H](CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002972393	0	55	0.0	-64.60	408.22	10.36	-54.24
CC(C)C[C@H](CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002972393	1	55	0.0	-64.29	408.97	10.41	-53.88
CC(C)C[C@H](CNC(=O)C1CC[NH+](C2CCSC2)CC1)CC(=O)[O-]	REAL300002972394	0	56	0.0	-75.57	407.76	9.77	-65.80
CC(C)C[C@H](CNC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)CC(=O)[O-]	REAL300002972422	1	60	0.0	-65.49	442.00	9.33	-56.16
CC(C)C[C@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)CC(=O)[O-]	REAL300002972423	0	59	0.0	-64.05	406.08	7.95	-56.10
CCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+](CC)CC	REAL300002972427	0	53	0.0	-53.56	368.12	8.32	-45.24
CC(C)C[C@H](CNC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300002972429	0	54	0.0	-58.09	398.27	9.91	-48.18
CC(C)C[C@H](CNC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300002972429	1	54	0.0	-57.86	398.00	9.93	-47.93
CC(C)C[C@H](CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002972440	0	61	0.0	-60.78	446.73	12.35	-48.43
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002972440	1	61	0.0	-60.27	441.35	12.13	-48.14
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+](C)C)N=C1)CC(=O)[O-]	REAL300002972468	0	50	0.0	-75.58	377.88	7.56	-68.02
CCC[NH+](CCC)CCCC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002972479	0	59	0.0	-66.75	421.94	9.86	-56.89
CC(C)C[C@H](CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)CC(=O)[O-]	REAL300002972480	1	59	0.0	-60.63	431.60	7.82	-52.81
CC[N@H+](C)C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1=CC=CC=C1	REAL300002972481	0	54	0.0	-58.03	396.47	10.01	-48.02
CC[N@@H+](C)C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1=CC=CC=C1	REAL300002972481	1	54	0.0	-52.27	396.96	9.98	-42.29
CC[NH+](CC)C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1=CC=CC=C1	REAL300002972486	0	57	0.0	-60.80	401.57	10.20	-50.60
CC(C)C[C@H](CNC(=O)CN1C=C[NH+]=C1C(C)C)CC(=O)[O-]	REAL300002972493	1	49	0.0	-57.61	369.58	8.65	-48.96
CC(C)C[C@H](CNC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)CC(=O)[O-]	REAL300002972495	1	51	0.0	-61.74	400.65	10.06	-51.68
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)CC(=O)[O-]	REAL300002972509	0	55	0.0	-77.42	406.57	10.52	-66.90
CC(C)C[C@H](CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)CC(=O)[O-]	REAL300002972516	0	58	0.0	-70.68	423.65	11.25	-59.43
CCN1CCC([NH+]2CCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)CC1	REAL300002972523	0	66	0.0	-66.42	460.24	8.81	-57.61
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)CC(=O)[O-]	REAL300002972530	1	62	0.0	-80.21	456.64	10.25	-69.96
CC(C)C[C@H](CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300002972541	1	59	0.0	-76.68	431.51	10.35	-66.33
CC(C)C[C@H](CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300002972541	1	59	0.0	-76.06	438.29	10.40	-65.66
CC(C)C[C@H](CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300002972557	0	58	0.0	-58.18	422.19	10.98	-47.20
CC(C)C[C@H](CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300002972557	1	58	0.0	-56.83	428.11	11.17	-45.66
CC1=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300002972559	1	49	0.0	-74.71	384.60	7.98	-66.73
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)CC(=O)[O-]	REAL300002972567	0	58	0.0	-71.13	429.05	11.44	-59.69
CC(C)C[C@H](CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)CC(=O)[O-]	REAL300002972579	1	51	0.0	-75.27	387.36	7.96	-67.31
CC(C)C[C@H](CNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300002972580	0	54	0.0	-80.91	404.25	10.22	-70.69
CNC1=[NH+]C(C)=CC=C1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002972591	1	47	0.0	-54.79	358.16	7.11	-47.68
CC(C)C[C@H](CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300002972592	1	56	0.0	-62.94	416.07	9.91	-53.03
CC(C)C[C@H](CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300002972592	1	56	0.0	-71.86	410.98	9.75	-62.11
CC(C)C[C@H](CNC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002972606	0	64	0.0	-59.99	461.97	12.34	-47.65
CC(C)C[C@H](CNC(=O)C(C)[NH+]1CCSCC1)CC(=O)[O-]	REAL300002972647	1	49	0.0	-58.81	359.13	7.74	-51.07
CC(C)C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CC(=O)[O-]	REAL300002972653	0	53	0.0	-58.81	373.49	8.36	-50.45
CC(C)C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CC(=O)[O-]	REAL300002972653	1	53	0.0	-59.98	372.69	8.34	-51.64
CC(C)C[C@H](CNC(=O)C[N@H+](C)CCC1=CC=CC=C1)CC(=O)[O-]	REAL300002972655	0	54	0.0	-62.82	403.07	10.36	-52.46
CC(C)C[C@H](CNC(=O)C[N@@H+](C)CCC1=CC=CC=C1)CC(=O)[O-]	REAL300002972655	1	54	0.0	-62.28	403.09	10.30	-51.98
COCCOCC[N@H+](C)CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002972656	0	58	0.0	-64.90	437.30	6.69	-58.21
COCCOCC[N@@H+](C)CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002972656	1	58	0.0	-65.92	437.44	6.68	-59.24
CC(C)C[C@H](CNC(=O)CC1(O)CCC[N@H+](C)C1)CC(=O)[O-]	REAL300002972660	0	52	0.0	-62.30	373.90	6.22	-56.08
CC(C)C[C@H](CNC(=O)CC1(O)CCC[N@@H+](C)C1)CC(=O)[O-]	REAL300002972660	1	52	0.0	-65.43	371.39	6.32	-59.11
CC(C)C[C@H](CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002972670	0	63	0.0	-71.97	458.22	10.06	-61.91
CC(C)C[C@H](CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)CC(=O)[O-]	REAL300002972671	1	57	0.0	-58.58	407.78	9.13	-49.45
CC(C)C[C@H](CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)CC(=O)[O-]	REAL300002972671	1	57	0.0	-57.22	417.32	9.26	-47.96
CC(C)C[C@H](CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)CC(=O)[O-]	REAL300002972672	1	57	0.0	-59.40	407.76	9.01	-50.39
CC(C)C[C@H](CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)CC(=O)[O-]	REAL300002972672	1	57	0.0	-61.47	413.34	9.29	-52.18
CCCCCC[N@H+](C)CC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002972674	0	56	0.0	-60.32	407.66	9.63	-50.69
CCCCCC[N@@H+](C)CC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002972674	1	56	0.0	-61.08	407.69	9.66	-51.42
CC(C)C[C@H](CNC(=O)C1=CC2=C[NH+]=CN2C=C1)CC(=O)[O-]	REAL300002972686	1	43	0.0	-74.15	334.38	9.43	-64.72
CC(C)C[C@H](CNC(=O)C[N@H+](C)C1CCSC1)CC(=O)[O-]	REAL300002972704	0	49	0.0	-62.28	363.23	8.11	-54.17
CC(C)C[C@H](CNC(=O)C[N@@H+](C)C1CCSC1)CC(=O)[O-]	REAL300002972704	1	49	0.0	-65.79	368.08	8.26	-57.53
CC(C)C[C@H](CNC(=O)CCN1CC[NH+](C(C)C)CC1)CC(=O)[O-]	REAL300002972720	0	59	0.0	-67.70	414.17	6.72	-60.98
CC(C)C[C@H](CNC(=O)CC[NH+]1CCN(C(C)C)CC1)CC(=O)[O-]	REAL300002972720	1	59	0.0	-64.01	416.12	6.87	-57.14
CC(C)C[C@H](CNC(=O)CCCN1CC[NH+](C(C)C)CC1)CC(=O)[O-]	REAL300002972721	0	62	0.0	-66.93	440.80	7.85	-59.08
CC(C)C[C@H](CNC(=O)CCC[NH+]1CCN(C(C)C)CC1)CC(=O)[O-]	REAL300002972721	1	62	0.0	-67.92	437.10	7.69	-60.23
CC(C)C[C@H](CNC(=O)C1CCCC2CCC[N@@H+]21)CC(=O)[O-]	REAL300002972722	0	52	0.0	-54.35	368.50	8.76	-45.59
CC(C)C[C@H](CNC(=O)C1CCCC2CCC[N@H+]21)CC(=O)[O-]	REAL300002972722	1	52	0.0	-58.77	359.99	8.43	-50.34
CC(C)C[C@H](CNC(=O)C1=CN(CC[NH+](C)C)N=C1)CC(=O)[O-]	REAL300002972724	0	51	0.0	-78.17	388.25	7.37	-70.80
CC1=CC=CC(N2CC[NH+](CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)=C1	REAL300002972731	0	63	0.0	-68.27	463.55	10.09	-58.18
CC(C)C[C@H](CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002972733	0	60	0.0	-68.27	442.14	9.43	-58.84
CC(C)C[C@H](CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)CC(=O)[O-]	REAL300002972736	0	57	0.0	-67.03	419.64	9.27	-57.76
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)CC(=O)[O-]	REAL300002972736	1	57	0.0	-64.25	419.05	9.63	-54.62
CC(C)C[C@H](CNC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300002972741	1	55	0.0	-59.50	398.66	10.42	-49.08
CC(C)C[C@H](CNC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300002972741	1	55	0.0	-59.86	398.89	10.46	-49.40
CC(C)C[C@H](CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002972769	0	58	0.0	-71.32	428.98	11.10	-60.22
CC(C)C[C@H](CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002972769	1	58	0.0	-70.86	428.76	11.17	-59.69
CC(C)C[C@H](CNC(=O)C1=NN(CC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300002972784	0	51	0.0	-73.71	394.04	7.59	-66.12
CC(C)C[C@H](CNC(=O)C1=CC=NN1CC[NH+](C)C)CC(=O)[O-]	REAL300002972785	0	51	0.0	-48.40	368.90	7.40	-41.00
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002972791	1	52	0.0	-60.08	389.91	9.07	-51.01
CC(C)C[C@H](CNC(=O)C1C[N@H+](C)CC(C)O1)CC(=O)[O-]	REAL300002972802	1	49	0.0	-52.81	355.40	6.91	-45.90
CC(C)C[C@H](CNC(=O)C1C[N@@H+](C)CC(C)O1)CC(=O)[O-]	REAL300002972802	1	49	0.0	-70.18	355.43	6.89	-63.29
CC(C)C[C@H](CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)CC(=O)[O-]	REAL300002972808	0	58	0.0	-67.19	431.11	11.10	-56.09
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)CC(=O)[O-]	REAL300002972808	1	58	0.0	-68.07	436.86	11.35	-56.72
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)CC(=O)[O-]	REAL300002972809	1	54	0.0	-56.43	404.78	8.99	-47.44
CC(C)C[C@H](CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)CC(=O)[O-]	REAL300002972809	1	54	0.0	-62.77	404.77	8.80	-53.97
CC(C)C[C@H](CNC(=O)C(C)C[NH+]1CCOCC1)CC(=O)[O-]	REAL300002972814	0	52	0.0	-64.69	380.65	6.81	-57.88
CC(C)C[C@H](CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)CC(=O)[O-]	REAL300002972815	0	59	0.0	-68.17	439.87	8.86	-59.31
CC[N@@H+]1CCOC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300002972837	1	49	0.0	-59.83	357.20	7.00	-52.83
CC[N@H+]1CCOC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300002972837	1	49	0.0	-68.74	352.02	6.84	-61.90
CC(C)C[C@H](CNC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)CC(=O)[O-]	REAL300002972870	1	58	0.0	-72.41	426.90	9.53	-62.88
CC(C)C[C@H](CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)CC(=O)[O-]	REAL300002972871	0	58	0.0	-64.61	408.61	9.75	-54.86
CC(C)C[C@H](CNC(=O)C1CC[N@H+](C2CCCCC2)C1)CC(=O)[O-]	REAL300002972871	1	58	0.0	-61.72	414.00	9.98	-51.74
CC(C)C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)CC(=O)[O-]	REAL300002972890	0	52	0.0	-66.62	360.95	8.05	-58.57
CC(C)C[C@H](CNC(=O)C1(C)CC(O)C[N@@H+]1C)CC(=O)[O-]	REAL300002972894	0	49	0.0	-66.40	351.69	3.95	-62.45
CC(C)C[C@H](CNC(=O)C1(C)CC(O)C[N@H+]1C)CC(=O)[O-]	REAL300002972894	1	49	0.0	-61.88	357.60	4.16	-57.72
CC(C)C[C@H](CNC(=O)C1CCC2CCCC[N@@H+]21)CC(=O)[O-]	REAL300002972895	0	52	0.0	-55.61	377.28	9.04	-46.57
CC(C)C[C@H](CNC(=O)C1CCC2CCCC[N@H+]21)CC(=O)[O-]	REAL300002972895	1	52	0.0	-54.41	371.46	8.76	-45.65
CC(C)C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)CC(=O)[O-]	REAL300002972903	0	55	0.0	-63.33	384.10	6.96	-56.37
CC(C)C[C@H](CNC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)CC(=O)[O-]	REAL300002972908	0	64	0.0	-61.72	454.20	9.57	-52.15
CC(C)C[C@H](CNC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)CC(=O)[O-]	REAL300002972908	1	64	0.0	-70.71	454.18	9.58	-61.13
CC(C)C[C@H](CNC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)CC(=O)[O-]	REAL300002972909	0	58	0.0	-71.65	433.25	8.88	-62.77
CC(C)C[C@H](CNC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)CC(=O)[O-]	REAL300002972909	1	58	0.0	-74.17	420.38	8.29	-65.88
CC(C)C[C@H](CNC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)CC(=O)[O-]	REAL300002972914	0	60	0.0	-67.56	446.18	9.00	-58.56
CC(C)C[C@H](CNC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)CC(=O)[O-]	REAL300002972915	0	60	0.0	-76.21	440.72	8.78	-67.43
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)CC(=O)[O-]	REAL300002972915	1	60	0.0	-79.70	440.19	8.66	-71.04
CC[NH+](CC)CCOC1=CC=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300002972916	0	61	0.0	-77.80	446.90	10.55	-67.25
CC(C)C[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)CC(=O)[O-]	REAL300002972923	0	54	0.0	-63.95	384.60	8.71	-55.24
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)CC(=O)[O-]	REAL300002973042	0	62	0.0	-73.63	460.74	8.73	-64.90
CC(C)C[C@H](CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)CC(=O)[O-]	REAL300002973046	0	51	0.0	-72.86	381.71	9.34	-63.52
CC(C)C[C@H](CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002973047	0	58	0.0	-61.25	424.23	11.48	-49.77
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002973047	1	58	0.0	-61.45	424.20	11.48	-49.97
C#CC[NH+]1CCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300002973115	0	50	0.0	-67.61	378.60	8.91	-58.70
CCC[N@@H+]1CCCCC1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002973117	0	54	0.0	-58.86	380.99	8.89	-49.97
CCC[N@H+]1CCCCC1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002973117	1	54	0.0	-56.65	375.73	8.74	-47.91
CC(C)C[C@H](CNC(=O)C1=CC=CC=C1C[NH+](C)C)CC(=O)[O-]	REAL300002973119	0	51	0.0	-54.82	374.84	9.59	-45.23
CC[NH+]1CCN(CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300002973121	0	56	0.0	-69.20	401.38	6.44	-62.76
CCN1CC[NH+](CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300002973121	1	56	0.0	-64.71	402.54	6.58	-58.13
CC(C)C[C@H](CNC(=O)C(C(C)C)[NH+]1CCCCC1)CC(=O)[O-]	REAL300002973123	0	57	0.0	-56.37	398.68	10.12	-46.25
CC(C)C[C@H](CNC(=O)C(C1=CC=CC=C1)[NH+](C)C)CC(=O)[O-]	REAL300002973124	1	51	0.0	-59.45	383.99	9.54	-49.91
CC(C)C[C@H](CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002973128	0	56	0.0	-61.70	416.99	7.30	-54.40
CC(C)C[C@H](CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002973128	1	56	0.0	-62.26	422.55	7.50	-54.76
CC(C)C[C@H](CNC(=O)CCN1C=C[NH+]=C1C(C)C)CC(=O)[O-]	REAL300002973134	1	52	0.0	-58.22	394.67	9.20	-49.02
CC(C)C[C@H](CNC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)CC(=O)[O-]	REAL300002973135	0	54	0.0	-59.85	403.18	9.75	-50.10
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+]1C1CCCC1)CC(=O)[O-]	REAL300002973140	0	55	0.0	-58.34	379.57	9.19	-49.15
CC(C)C[C@H](CNC(=O)C1CCC[N@H+]1C1CCCC1)CC(=O)[O-]	REAL300002973140	1	55	0.0	-58.70	386.22	9.44	-49.26
CC(C)C[C@H](CNC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)CC(=O)[O-]	REAL300002973168	1	61	0.0	-53.34	417.87	8.26	-45.08
CC(C)C[C@H](CNC(=O)C(C)[NH+]1CCCCCC1)CC(=O)[O-]	REAL300002973169	0	54	0.0	-57.28	380.05	8.85	-48.43
CC(C)C[C@H](CNC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)CC(=O)[O-]	REAL300002973204	1	56	0.0	-79.05	416.90	9.80	-69.25
CC(C)C[C@H](CNC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)CC(=O)[O-]	REAL300002973204	1	56	0.0	-78.55	417.12	9.80	-68.75
CC[NH+](CC)CC1=CC=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)O1	REAL300002973262	0	54	0.0	-64.68	408.48	9.23	-55.45
CC(C)C[C@H](CNC(=O)CCCC[NH+]1CCCC1)CC(=O)[O-]	REAL300002973263	0	54	0.0	-68.81	395.28	9.18	-59.63
CC1=CC=C(N2CCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)[NH+]=C1	REAL300002973265	1	57	0.0	-68.27	417.98	8.96	-59.31
CC(C)C[C@H](CNC(=O)C[N@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300002973266	1	51	0.0	-63.28	380.67	9.50	-53.78
CC(C)C[C@H](CNC(=O)C[N@@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300002973266	1	51	0.0	-62.69	380.61	9.46	-53.23
CC(C)C[C@H](CNC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)CC(=O)[O-]	REAL300002973270	0	63	0.0	-77.97	450.11	9.73	-68.24
CC(C)C[C@H](CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)CC(=O)[O-]	REAL300002973285	1	46	0.0	-75.98	363.23	7.37	-68.61
CC(C)C[C@H](CNC(=O)C1=NOC(C[NH+](C)C)=C1)CC(=O)[O-]	REAL300002973314	1	47	0.0	-76.71	362.67	6.88	-69.83
CC(C)C[C@H](CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300002973319	0	58	0.0	-71.86	429.90	11.02	-60.84
CC(C)C[C@H](CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300002973319	1	58	0.0	-68.94	428.26	10.82	-58.12
CC(C)C[C@H](CNC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300002973343	0	59	0.0	-72.25	451.83	10.55	-61.70
CC(C)C[C@H](CNC(=O)COC1CC[NH+](C)CC1)CC(=O)[O-]	REAL300002973360	0	52	0.0	-70.65	389.29	8.18	-62.47
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)CC(=O)[O-]	REAL300002973366	0	55	0.0	-74.62	410.10	9.55	-65.07
CC(C)C[C@H](CNC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)CC(=O)[O-]	REAL300002973407	0	57	0.0	-62.31	417.87	9.12	-53.19
CC(C)C[C@H](CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)CC(=O)[O-]	REAL300002973407	1	57	0.0	-54.42	416.12	9.16	-45.26
CCC[N@@H+]1CCCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300002973550	0	54	0.0	-58.66	386.78	9.27	-49.39
CCC[N@H+]1CCCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300002973550	1	54	0.0	-54.99	381.45	9.10	-45.89
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+]1CC(C)C)CC(=O)[O-]	REAL300002973583	0	54	0.0	-58.26	388.30	9.06	-49.20
CC(C)C[C@H](CNC(=O)C1CCC[N@H+]1CC(C)C)CC(=O)[O-]	REAL300002973583	1	54	0.0	-57.92	388.46	9.06	-48.86
CC(C)C[C@H](CNC(=O)C[NH+]1CCC(CO)CC1)CC(=O)[O-]	REAL300002973584	1	52	0.0	-60.34	377.30	5.09	-55.25
CC(C)C[C@H](CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)CC(=O)[O-]	REAL300002973681	0	59	0.0	-62.02	432.60	11.42	-50.60
CC(C)C[C@H](CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)CC(=O)[O-]	REAL300002973681	1	59	0.0	-66.56	434.43	11.25	-55.31
CC(C)C[C@H](CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)CC(=O)[O-]	REAL300002973719	1	58	0.0	-62.19	424.52	11.10	-51.09
CC(C)C[C@H](CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)CC(=O)[O-]	REAL300002973719	1	58	0.0	-53.84	428.71	11.06	-42.78
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+](C(C)C)C1)CC(=O)[O-]	REAL300002973807	0	54	0.0	-57.42	382.00	9.08	-48.34
CC(C)C[C@H](CNC(=O)C1CCC[N@H+](C(C)C)C1)CC(=O)[O-]	REAL300002973807	1	54	0.0	-57.15	382.03	9.05	-48.10
CC(C)C[C@H](CNC(=O)C1C[N@H+](C)CC1C(F)(F)F)CC(=O)[O-]	REAL300002973808	0	48	0.0	-68.60	357.54	8.12	-60.48
CC(C)C[C@H](CNC(=O)C1C[N@@H+](C)CC1C(F)(F)F)CC(=O)[O-]	REAL300002973808	1	48	0.0	-68.58	357.30	7.79	-60.79
CC1=C(C)[NH+]=C(CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C)N1	REAL300002973834	1	49	0.0	-59.99	374.17	7.21	-52.78
CC(C)C[C@H](CNC(=O)C1=CC=CC(CC[NH+](C)C)=C1)CC(=O)[O-]	REAL300002974313	0	54	0.0	-75.80	404.68	10.24	-65.56
CC(C)C[C@H](CNC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300002974320	0	55	0.0	-78.04	411.56	9.15	-68.89
CC(C)C[C@H](CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002974409	0	61	0.0	-67.52	443.66	11.80	-55.72
CC(C)C[C@H](CNC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)CC(=O)[O-]	REAL300002974411	1	59	0.0	-80.84	429.46	9.52	-71.32
CC(C)C[C@H](CNC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)CC(=O)[O-]	REAL300002974411	1	59	0.0	-81.02	429.51	9.52	-71.50
CC(C)C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)CC(=O)[O-]	REAL300002974456	0	54	0.0	-53.82	376.24	8.57	-45.25
CC(C)C[C@H](CNC(=O)C1CCC[N@H+](CC(C)C)C1)CC(=O)[O-]	REAL300002974523	0	57	0.0	-57.49	398.90	9.78	-47.71
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+](CC(C)C)C1)CC(=O)[O-]	REAL300002974523	1	57	0.0	-57.49	398.90	9.78	-47.71
CC(C)C[C@H](CNC(=O)C1=CC=C(CN(C)C)O1)CC(=O)[O-]	REAL300002974529	0	48	0.0	-76.37	367.44	7.57	-68.80
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+](C)C)O1)CC(=O)[O-]	REAL300002974529	1	48	0.0	-76.37	367.44	7.57	-68.80
CC(C)C[C@H](CNC(=O)C(C)(C)C1CCC[N@H+](C)C1)CC(=O)[O-]	REAL300002974535	0	57	0.0	-72.69	386.31	8.54	-64.15
CC(C)C[C@H](CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)CC(=O)[O-]	REAL300002974535	1	57	0.0	-72.69	386.31	8.54	-64.15
CC(C)C[C@H](CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)CC(=O)[O-]	REAL300002974538	0	50	0.0	-62.57	361.67	9.18	-53.39
CC(C)C[C@H](CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002975851	0	58	0.0	-71.93	425.04	11.11	-60.82
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300002976596	0	55	0.0	-53.80	401.46	9.99	-43.81
CC(C)C[C@H](CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300002976596	1	55	0.0	-58.42	401.28	9.96	-48.46
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)CC(=O)[O-]	REAL300002977444	1	55	0.0	-55.33	418.16	10.51	-44.82
CC(C)C[C@H](CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)CC(=O)[O-]	REAL300002977444	1	55	0.0	-61.34	417.99	10.48	-50.86
CC(C)C[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)CC(=O)[O-]	REAL300002977520	0	52	0.0	-69.03	373.37	8.78	-60.25
CC1=[NH+]C=C2CCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CN21	REAL300002977553	1	50	0.0	-59.44	371.18	8.58	-50.86
CC(C)C[C@H](CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)CC(=O)[O-]	REAL300002977554	0	58	0.0	-61.13	433.65	11.27	-49.86
CC1=NC(C[NH+]2CCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)=CS1	REAL300002977628	1	57	0.0	-67.53	437.88	9.09	-58.44
CC(C)C[C@H](CNC(=O)C(C)N1CC[NH+](C)CC1)CC(=O)[O-]	REAL300002977629	1	53	0.0	-67.92	377.16	5.72	-62.20
CC(C)C[C@H](CNC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300002977714	0	61	0.0	-76.18	458.02	10.61	-65.57
CC(C)C[C@H](CNC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300002977726	0	61	0.0	-75.95	458.79	12.99	-62.96
CC(C)C[C@H](CNC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300002977726	1	61	0.0	-75.92	458.37	12.92	-63.00
CC(C)C[C@H](CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002977728	0	61	0.0	-65.20	437.45	11.53	-53.67
CC(C)C[C@H](CNC(=O)C1=CN2C=[NH+]C=C2C=C1)CC(=O)[O-]	REAL300002977787	0	43	0.0	-68.15	334.10	9.43	-58.72
CC(C)C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)CC(=O)[O-]	REAL300002977817	0	57	0.0	-61.11	396.58	9.39	-51.72
CC(C)C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)CC(=O)[O-]	REAL300002977821	0	57	0.0	-65.82	402.37	9.51	-56.31
CC(C)C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)CC(=O)[O-]	REAL300002977821	1	57	0.0	-65.21	402.37	9.50	-55.71
CC(C)C[C@H](CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300002977843	1	58	0.0	-61.97	428.60	11.05	-50.92
CC(C)C[C@H](CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300002977843	1	58	0.0	-63.25	425.08	11.09	-52.16
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300002977844	1	55	0.0	-56.13	408.29	10.11	-46.02
CC(C)C[C@H](CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300002977844	1	55	0.0	-62.12	407.67	10.03	-52.09
CC(C)C[C@H](CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)CC(=O)[O-]	REAL300002977900	0	51	0.0	-73.87	392.48	8.49	-65.38
CC(C)C[C@H](CNC(=O)C1CCCC[N@@H+]1C1CCCC1)CC(=O)[O-]	REAL300002977928	0	58	0.0	-56.70	401.00	9.67	-47.03
CC(C)C[C@H](CNC(=O)C1CCCC[N@H+]1C1CCCC1)CC(=O)[O-]	REAL300002977928	1	58	0.0	-57.14	396.23	9.81	-47.33
CC(C)C[C@H](CNC(=O)C1CCC([NH+]2CCOCC2)CC1)CC(=O)[O-]	REAL300002977929	0	59	0.0	-68.67	421.07	8.37	-60.30
CC1=[NH+]C=CN1CCCC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002977961	1	49	0.0	-65.01	374.92	8.78	-56.23
CC(C)C[C@H](CNC(=O)CCCC[NH+]1CCOCC1)CC(=O)[O-]	REAL300002977962	1	55	0.0	-71.62	402.21	7.47	-64.15
CC[N@H+](CC1=CC=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=C1)C(C)C	REAL300002977964	0	60	0.0	-76.77	422.61	10.78	-65.99
CC[N@@H+](CC1=CC=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=C1)C(C)C	REAL300002977964	1	60	0.0	-75.69	421.46	10.56	-65.13
CC(C)C[C@H](CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002977988	0	55	0.0	-64.60	408.22	10.36	-54.24
CC(C)C[C@H](CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002977988	1	55	0.0	-64.29	408.97	10.41	-53.88
CC(C)C[C@H](CNC(=O)C1CC[NH+](C2CCSC2)CC1)CC(=O)[O-]	REAL300002977989	0	56	0.0	-75.57	407.76	9.77	-65.80
CC(C)C[C@H](CNC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)CC(=O)[O-]	REAL300002978017	1	60	0.0	-65.49	442.00	9.33	-56.16
CC(C)C[C@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)CC(=O)[O-]	REAL300002978018	0	59	0.0	-64.05	406.08	7.95	-56.10
CCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)[NH+](CC)CC	REAL300002978022	0	53	0.0	-53.56	368.12	8.32	-45.24
CC(C)C[C@H](CNC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300002978024	0	54	0.0	-58.09	398.27	9.91	-48.18
CC(C)C[C@H](CNC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300002978024	1	54	0.0	-57.86	398.00	9.93	-47.93
CC(C)C[C@H](CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002978035	0	61	0.0	-60.78	446.73	12.35	-48.43
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002978035	1	61	0.0	-60.27	441.35	12.13	-48.14
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+](C)C)N=C1)CC(=O)[O-]	REAL300002978063	0	50	0.0	-75.58	377.88	7.56	-68.02
CCC[NH+](CCC)CCCC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002978074	0	59	0.0	-66.75	421.94	9.86	-56.89
CC(C)C[C@H](CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)CC(=O)[O-]	REAL300002978075	1	59	0.0	-60.63	431.60	7.82	-52.81
CC[N@H+](C)C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1=CC=CC=C1	REAL300002978076	0	54	0.0	-58.03	396.47	10.01	-48.02
CC[N@@H+](C)C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1=CC=CC=C1	REAL300002978076	1	54	0.0	-52.27	396.96	9.98	-42.29
CC[NH+](CC)C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1=CC=CC=C1	REAL300002978081	0	57	0.0	-60.80	401.57	10.20	-50.60
CC(C)C[C@H](CNC(=O)CN1C=C[NH+]=C1C(C)C)CC(=O)[O-]	REAL300002978088	1	49	0.0	-57.61	369.58	8.65	-48.96
CC(C)C[C@H](CNC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)CC(=O)[O-]	REAL300002978090	1	51	0.0	-61.74	400.65	10.06	-51.68
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)CC(=O)[O-]	REAL300002978104	0	55	0.0	-77.42	406.57	10.52	-66.90
CC(C)C[C@H](CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)CC(=O)[O-]	REAL300002978111	0	58	0.0	-70.68	423.65	11.25	-59.43
CCN1CCC([NH+]2CCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)CC1	REAL300002978118	0	66	0.0	-66.42	460.24	8.81	-57.61
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)CC(=O)[O-]	REAL300002978125	1	62	0.0	-80.21	456.64	10.25	-69.96
CC(C)C[C@H](CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300002978136	1	59	0.0	-76.68	431.51	10.35	-66.33
CC(C)C[C@H](CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300002978136	1	59	0.0	-76.06	438.29	10.40	-65.66
CC(C)C[C@H](CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300002978152	0	58	0.0	-58.18	422.19	10.98	-47.20
CC(C)C[C@H](CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)CC(=O)[O-]	REAL300002978152	1	58	0.0	-56.83	428.11	11.17	-45.66
CC1=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300002978154	1	49	0.0	-74.71	384.60	7.98	-66.73
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)CC(=O)[O-]	REAL300002978162	0	58	0.0	-71.13	429.05	11.44	-59.69
CC(C)C[C@H](CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)CC(=O)[O-]	REAL300002978174	1	51	0.0	-75.27	387.36	7.96	-67.31
CC(C)C[C@H](CNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300002978175	0	54	0.0	-80.91	404.25	10.22	-70.69
CNC1=[NH+]C(C)=CC=C1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002978186	1	47	0.0	-54.79	358.16	7.11	-47.68
CC(C)C[C@H](CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300002978187	1	56	0.0	-62.94	416.07	9.91	-53.03
CC(C)C[C@H](CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)CC(=O)[O-]	REAL300002978187	1	56	0.0	-71.86	410.98	9.75	-62.11
CC(C)C[C@H](CNC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002978201	0	64	0.0	-59.99	461.97	12.34	-47.65
CC(C)C[C@H](CNC(=O)C(C)[NH+]1CCSCC1)CC(=O)[O-]	REAL300002978242	1	49	0.0	-58.81	359.13	7.74	-51.07
CC(C)C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CC(=O)[O-]	REAL300002978248	0	53	0.0	-58.81	373.49	8.36	-50.45
CC(C)C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CC(=O)[O-]	REAL300002978248	1	53	0.0	-59.98	372.69	8.34	-51.64
CC(C)C[C@H](CNC(=O)C[N@H+](C)CCC1=CC=CC=C1)CC(=O)[O-]	REAL300002978250	0	54	0.0	-62.82	403.07	10.36	-52.46
CC(C)C[C@H](CNC(=O)C[N@@H+](C)CCC1=CC=CC=C1)CC(=O)[O-]	REAL300002978250	1	54	0.0	-62.28	403.09	10.30	-51.98
COCCOCC[N@H+](C)CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002978251	0	58	0.0	-64.90	437.30	6.69	-58.21
COCCOCC[N@@H+](C)CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002978251	1	58	0.0	-65.92	437.44	6.68	-59.24
CC(C)C[C@H](CNC(=O)CC1(O)CCC[N@H+](C)C1)CC(=O)[O-]	REAL300002978255	0	52	0.0	-62.30	373.90	6.22	-56.08
CC(C)C[C@H](CNC(=O)CC1(O)CCC[N@@H+](C)C1)CC(=O)[O-]	REAL300002978255	1	52	0.0	-65.43	371.39	6.32	-59.11
CC(C)C[C@H](CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002978265	0	63	0.0	-71.97	458.22	10.06	-61.91
CC(C)C[C@H](CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)CC(=O)[O-]	REAL300002978266	1	57	0.0	-58.58	407.78	9.13	-49.45
CC(C)C[C@H](CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)CC(=O)[O-]	REAL300002978266	1	57	0.0	-57.22	417.32	9.26	-47.96
CC(C)C[C@H](CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)CC(=O)[O-]	REAL300002978267	1	57	0.0	-59.40	407.76	9.01	-50.39
CC(C)C[C@H](CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)CC(=O)[O-]	REAL300002978267	1	57	0.0	-61.47	413.34	9.29	-52.18
CCCCCC[N@H+](C)CC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002978269	0	56	0.0	-60.32	407.66	9.63	-50.69
CCCCCC[N@@H+](C)CC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002978269	1	56	0.0	-61.08	407.69	9.66	-51.42
CC(C)C[C@H](CNC(=O)C1=CC2=C[NH+]=CN2C=C1)CC(=O)[O-]	REAL300002978281	1	43	0.0	-74.15	334.38	9.43	-64.72
CC(C)C[C@H](CNC(=O)C[N@H+](C)C1CCSC1)CC(=O)[O-]	REAL300002978299	0	49	0.0	-62.28	363.23	8.11	-54.17
CC(C)C[C@H](CNC(=O)C[N@@H+](C)C1CCSC1)CC(=O)[O-]	REAL300002978299	1	49	0.0	-65.79	368.08	8.26	-57.53
CC(C)C[C@H](CNC(=O)CCN1CC[NH+](C(C)C)CC1)CC(=O)[O-]	REAL300002978315	0	59	0.0	-67.70	414.17	6.72	-60.98
CC(C)C[C@H](CNC(=O)CC[NH+]1CCN(C(C)C)CC1)CC(=O)[O-]	REAL300002978315	1	59	0.0	-64.01	416.12	6.87	-57.14
CC(C)C[C@H](CNC(=O)CCCN1CC[NH+](C(C)C)CC1)CC(=O)[O-]	REAL300002978316	0	62	0.0	-66.93	440.80	7.85	-59.08
CC(C)C[C@H](CNC(=O)CCC[NH+]1CCN(C(C)C)CC1)CC(=O)[O-]	REAL300002978316	1	62	0.0	-67.92	437.10	7.69	-60.23
CC(C)C[C@H](CNC(=O)C1CCCC2CCC[N@@H+]21)CC(=O)[O-]	REAL300002978317	0	52	0.0	-54.35	368.50	8.76	-45.59
CC(C)C[C@H](CNC(=O)C1CCCC2CCC[N@H+]21)CC(=O)[O-]	REAL300002978317	1	52	0.0	-58.77	359.99	8.43	-50.34
CC(C)C[C@H](CNC(=O)C1=CN(CC[NH+](C)C)N=C1)CC(=O)[O-]	REAL300002978319	0	51	0.0	-78.17	388.25	7.37	-70.80
CC1=CC=CC(N2CC[NH+](CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)=C1	REAL300002978326	0	63	0.0	-68.27	463.55	10.09	-58.18
CC(C)C[C@H](CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002978328	0	60	0.0	-68.27	442.14	9.43	-58.84
CC(C)C[C@H](CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)CC(=O)[O-]	REAL300002978331	0	57	0.0	-67.03	419.64	9.27	-57.76
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)CC(=O)[O-]	REAL300002978331	1	57	0.0	-64.25	419.05	9.63	-54.62
CC(C)C[C@H](CNC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300002978336	1	55	0.0	-59.50	398.66	10.42	-49.08
CC(C)C[C@H](CNC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300002978336	1	55	0.0	-59.86	398.89	10.46	-49.40
CC(C)C[C@H](CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002978364	0	58	0.0	-71.32	428.98	11.10	-60.22
CC(C)C[C@H](CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002978364	1	58	0.0	-70.86	428.76	11.17	-59.69
CC(C)C[C@H](CNC(=O)C1=NN(CC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300002978379	0	51	0.0	-73.71	394.04	7.59	-66.12
CC(C)C[C@H](CNC(=O)C1=CC=NN1CC[NH+](C)C)CC(=O)[O-]	REAL300002978380	0	51	0.0	-48.40	368.90	7.40	-41.00
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002978386	1	52	0.0	-60.08	389.91	9.07	-51.01
CC(C)C[C@H](CNC(=O)C1C[N@H+](C)CC(C)O1)CC(=O)[O-]	REAL300002978397	1	49	0.0	-52.81	355.40	6.91	-45.90
CC(C)C[C@H](CNC(=O)C1C[N@@H+](C)CC(C)O1)CC(=O)[O-]	REAL300002978397	1	49	0.0	-70.18	355.43	6.89	-63.29
CC(C)C[C@H](CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)CC(=O)[O-]	REAL300002978403	0	58	0.0	-67.19	431.11	11.10	-56.09
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)CC(=O)[O-]	REAL300002978403	1	58	0.0	-68.07	436.86	11.35	-56.72
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)CC(=O)[O-]	REAL300002978404	1	54	0.0	-56.43	404.78	8.99	-47.44
CC(C)C[C@H](CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)CC(=O)[O-]	REAL300002978404	1	54	0.0	-62.77	404.77	8.80	-53.97
CC(C)C[C@H](CNC(=O)C(C)C[NH+]1CCOCC1)CC(=O)[O-]	REAL300002978409	0	52	0.0	-64.69	380.65	6.81	-57.88
CC(C)C[C@H](CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)CC(=O)[O-]	REAL300002978410	0	59	0.0	-68.17	439.87	8.86	-59.31
CC[N@@H+]1CCOC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300002978432	1	49	0.0	-59.83	357.20	7.00	-52.83
CC[N@H+]1CCOC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300002978432	1	49	0.0	-68.74	352.02	6.84	-61.90
CC(C)C[C@H](CNC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)CC(=O)[O-]	REAL300002978465	1	58	0.0	-72.41	426.90	9.53	-62.88
CC(C)C[C@H](CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)CC(=O)[O-]	REAL300002978466	0	58	0.0	-64.61	408.61	9.75	-54.86
CC(C)C[C@H](CNC(=O)C1CC[N@H+](C2CCCCC2)C1)CC(=O)[O-]	REAL300002978466	1	58	0.0	-61.72	414.00	9.98	-51.74
CC(C)C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)CC(=O)[O-]	REAL300002978485	0	52	0.0	-66.62	360.95	8.05	-58.57
CC(C)C[C@H](CNC(=O)C1(C)CC(O)C[N@@H+]1C)CC(=O)[O-]	REAL300002978489	0	49	0.0	-66.40	351.69	3.95	-62.45
CC(C)C[C@H](CNC(=O)C1(C)CC(O)C[N@H+]1C)CC(=O)[O-]	REAL300002978489	1	49	0.0	-61.88	357.60	4.16	-57.72
CC(C)C[C@H](CNC(=O)C1CCC2CCCC[N@@H+]21)CC(=O)[O-]	REAL300002978490	0	52	0.0	-55.61	377.28	9.04	-46.57
CC(C)C[C@H](CNC(=O)C1CCC2CCCC[N@H+]21)CC(=O)[O-]	REAL300002978490	1	52	0.0	-54.41	371.46	8.76	-45.65
CC(C)C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)CC(=O)[O-]	REAL300002978498	0	55	0.0	-63.33	384.10	6.96	-56.37
CC(C)C[C@H](CNC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)CC(=O)[O-]	REAL300002978503	0	64	0.0	-61.72	454.20	9.57	-52.15
CC(C)C[C@H](CNC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)CC(=O)[O-]	REAL300002978503	1	64	0.0	-70.71	454.18	9.58	-61.13
CC(C)C[C@H](CNC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)CC(=O)[O-]	REAL300002978504	0	58	0.0	-71.65	433.25	8.88	-62.77
CC(C)C[C@H](CNC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)CC(=O)[O-]	REAL300002978504	1	58	0.0	-74.17	420.38	8.29	-65.88
CC(C)C[C@H](CNC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)CC(=O)[O-]	REAL300002978509	0	60	0.0	-67.56	446.18	9.00	-58.56
CC(C)C[C@H](CNC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)CC(=O)[O-]	REAL300002978510	0	60	0.0	-76.21	440.72	8.78	-67.43
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)CC(=O)[O-]	REAL300002978510	1	60	0.0	-79.70	440.19	8.66	-71.04
CC[NH+](CC)CCOC1=CC=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C=C1	REAL300002978511	0	61	0.0	-77.80	446.90	10.55	-67.25
CC(C)C[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)CC(=O)[O-]	REAL300002978518	0	54	0.0	-63.95	384.60	8.71	-55.24
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)CC(=O)[O-]	REAL300002978637	0	62	0.0	-73.63	460.74	8.73	-64.90
CC(C)C[C@H](CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)CC(=O)[O-]	REAL300002978641	0	51	0.0	-72.86	381.71	9.34	-63.52
CC(C)C[C@H](CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002978642	0	58	0.0	-61.25	424.23	11.48	-49.77
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002978642	1	58	0.0	-61.45	424.20	11.48	-49.97
C#CC[NH+]1CCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300002978710	0	50	0.0	-67.61	378.60	8.91	-58.70
CCC[N@@H+]1CCCCC1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002978712	0	54	0.0	-58.86	380.99	8.89	-49.97
CCC[N@H+]1CCCCC1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	REAL300002978712	1	54	0.0	-56.65	375.73	8.74	-47.91
CC(C)C[C@H](CNC(=O)C1=CC=CC=C1C[NH+](C)C)CC(=O)[O-]	REAL300002978714	0	51	0.0	-54.82	374.84	9.59	-45.23
CC[NH+]1CCN(CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300002978716	0	56	0.0	-69.20	401.38	6.44	-62.76
CCN1CC[NH+](CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	REAL300002978716	1	56	0.0	-64.71	402.54	6.58	-58.13
CC(C)C[C@H](CNC(=O)C(C(C)C)[NH+]1CCCCC1)CC(=O)[O-]	REAL300002978718	0	57	0.0	-56.37	398.68	10.12	-46.25
CC(C)C[C@H](CNC(=O)C(C1=CC=CC=C1)[NH+](C)C)CC(=O)[O-]	REAL300002978719	1	51	0.0	-59.45	383.99	9.54	-49.91
CC(C)C[C@H](CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002978723	0	56	0.0	-61.70	416.99	7.30	-54.40
CC(C)C[C@H](CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)CC(=O)[O-]	REAL300002978723	1	56	0.0	-62.26	422.55	7.50	-54.76
CC(C)C[C@H](CNC(=O)CCN1C=C[NH+]=C1C(C)C)CC(=O)[O-]	REAL300002978729	1	52	0.0	-58.22	394.67	9.20	-49.02
CC(C)C[C@H](CNC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)CC(=O)[O-]	REAL300002978730	0	54	0.0	-59.85	403.18	9.75	-50.10
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+]1C1CCCC1)CC(=O)[O-]	REAL300002978735	0	55	0.0	-58.34	379.57	9.19	-49.15
CC(C)C[C@H](CNC(=O)C1CCC[N@H+]1C1CCCC1)CC(=O)[O-]	REAL300002978735	1	55	0.0	-58.70	386.22	9.44	-49.26
CC(C)C[C@H](CNC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)CC(=O)[O-]	REAL300002978763	1	61	0.0	-53.34	417.87	8.26	-45.08
CC(C)C[C@H](CNC(=O)C(C)[NH+]1CCCCCC1)CC(=O)[O-]	REAL300002978764	0	54	0.0	-57.28	380.05	8.85	-48.43
CC(C)C[C@H](CNC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)CC(=O)[O-]	REAL300002978799	1	56	0.0	-79.05	416.90	9.80	-69.25
CC(C)C[C@H](CNC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)CC(=O)[O-]	REAL300002978799	1	56	0.0	-78.55	417.12	9.80	-68.75
CC[NH+](CC)CC1=CC=C(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)O1	REAL300002978857	0	54	0.0	-64.68	408.48	9.23	-55.45
CC(C)C[C@H](CNC(=O)CCCC[NH+]1CCCC1)CC(=O)[O-]	REAL300002978858	0	54	0.0	-68.81	395.28	9.18	-59.63
CC1=CC=C(N2CCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC2)[NH+]=C1	REAL300002978860	1	57	0.0	-68.27	417.98	8.96	-59.31
CC(C)C[C@H](CNC(=O)C[N@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300002978861	1	51	0.0	-63.28	380.67	9.50	-53.78
CC(C)C[C@H](CNC(=O)C[N@@H+](C)CC1=CC=CC=C1)CC(=O)[O-]	REAL300002978861	1	51	0.0	-62.69	380.61	9.46	-53.23
CC(C)C[C@H](CNC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)CC(=O)[O-]	REAL300002978865	0	63	0.0	-77.97	450.11	9.73	-68.24
CC(C)C[C@H](CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)CC(=O)[O-]	REAL300002978880	1	46	0.0	-75.98	363.23	7.37	-68.61
CC(C)C[C@H](CNC(=O)C1=NOC(C[NH+](C)C)=C1)CC(=O)[O-]	REAL300002978909	1	47	0.0	-76.71	362.67	6.88	-69.83
CC(C)C[C@H](CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300002978914	0	58	0.0	-71.86	429.90	11.02	-60.84
CC(C)C[C@H](CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)CC(=O)[O-]	REAL300002978914	1	58	0.0	-68.94	428.26	10.82	-58.12
CC(C)C[C@H](CNC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300002978938	0	59	0.0	-72.25	451.83	10.55	-61.70
CC(C)C[C@H](CNC(=O)COC1CC[NH+](C)CC1)CC(=O)[O-]	REAL300002978955	0	52	0.0	-70.65	389.29	8.18	-62.47
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)CC(=O)[O-]	REAL300002978961	0	55	0.0	-74.62	410.10	9.55	-65.07
CC(C)C[C@H](CNC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)CC(=O)[O-]	REAL300002979002	0	57	0.0	-62.31	417.87	9.12	-53.19
CC(C)C[C@H](CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)CC(=O)[O-]	REAL300002979002	1	57	0.0	-54.42	416.12	9.16	-45.26
CCC[N@@H+]1CCCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300002979145	0	54	0.0	-58.66	386.78	9.27	-49.39
CCC[N@H+]1CCCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	REAL300002979145	1	54	0.0	-54.99	381.45	9.10	-45.89
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+]1CC(C)C)CC(=O)[O-]	REAL300002979178	0	54	0.0	-58.26	388.30	9.06	-49.20
CC(C)C[C@H](CNC(=O)C1CCC[N@H+]1CC(C)C)CC(=O)[O-]	REAL300002979178	1	54	0.0	-57.92	388.46	9.06	-48.86
CC(C)C[C@H](CNC(=O)C[NH+]1CCC(CO)CC1)CC(=O)[O-]	REAL300002979179	1	52	0.0	-60.34	377.30	5.09	-55.25
CC(C)C[C@H](CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)CC(=O)[O-]	REAL300002979276	0	59	0.0	-62.02	432.60	11.42	-50.60
CC(C)C[C@H](CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)CC(=O)[O-]	REAL300002979276	1	59	0.0	-66.56	434.43	11.25	-55.31
CC(C)C[C@H](CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)CC(=O)[O-]	REAL300002979314	1	58	0.0	-62.19	424.52	11.10	-51.09
CC(C)C[C@H](CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)CC(=O)[O-]	REAL300002979314	1	58	0.0	-53.84	428.71	11.06	-42.78
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+](C(C)C)C1)CC(=O)[O-]	REAL300002979402	0	54	0.0	-57.42	382.00	9.08	-48.34
CC(C)C[C@H](CNC(=O)C1CCC[N@H+](C(C)C)C1)CC(=O)[O-]	REAL300002979402	1	54	0.0	-57.15	382.03	9.05	-48.10
CC(C)C[C@H](CNC(=O)C1C[N@H+](C)CC1C(F)(F)F)CC(=O)[O-]	REAL300002979403	0	48	0.0	-68.60	357.54	8.12	-60.48
CC(C)C[C@H](CNC(=O)C1C[N@@H+](C)CC1C(F)(F)F)CC(=O)[O-]	REAL300002979403	1	48	0.0	-68.58	357.30	7.79	-60.79
CC1=C(C)[NH+]=C(CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C)N1	REAL300002979429	1	49	0.0	-59.99	374.17	7.21	-52.78
CC(C)C[C@H](CNC(=O)C1=CC=CC(CC[NH+](C)C)=C1)CC(=O)[O-]	REAL300002979908	0	54	0.0	-75.80	404.68	10.24	-65.56
CC(C)C[C@H](CNC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)CC(=O)[O-]	REAL300002979915	0	55	0.0	-78.04	411.56	9.15	-68.89
CC(C)C[C@H](CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300002980004	0	61	0.0	-67.52	443.66	11.80	-55.72
CC(C)C[C@H](CNC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)CC(=O)[O-]	REAL300002980006	1	59	0.0	-80.84	429.46	9.52	-71.32
CC(C)C[C@H](CNC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)CC(=O)[O-]	REAL300002980006	1	59	0.0	-81.02	429.51	9.52	-71.50
CC(C)C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)CC(=O)[O-]	REAL300002980051	0	54	0.0	-53.82	376.24	8.57	-45.25
CC(C)C[C@H](CNC(=O)C1CCC[N@H+](CC(C)C)C1)CC(=O)[O-]	REAL300002980118	0	57	0.0	-57.49	398.90	9.78	-47.71
CC(C)C[C@H](CNC(=O)C1CCC[N@@H+](CC(C)C)C1)CC(=O)[O-]	REAL300002980118	1	57	0.0	-57.49	398.90	9.78	-47.71
CC(C)C[C@H](CNC(=O)C1=CC=C(CN(C)C)O1)CC(=O)[O-]	REAL300002980124	0	48	0.0	-76.37	367.44	7.57	-68.80
CC(C)C[C@H](CNC(=O)C1=CC=C(C[NH+](C)C)O1)CC(=O)[O-]	REAL300002980124	1	48	0.0	-76.37	367.44	7.57	-68.80
CC(C)C[C@H](CNC(=O)C(C)(C)C1CCC[N@H+](C)C1)CC(=O)[O-]	REAL300002980130	0	57	0.0	-72.69	386.31	8.54	-64.15
CC(C)C[C@H](CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)CC(=O)[O-]	REAL300002980130	1	57	0.0	-72.69	386.31	8.54	-64.15
CC(C)C[C@H](CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)CC(=O)[O-]	REAL300002980133	0	50	0.0	-62.57	361.67	9.18	-53.39
CC1CC1C1=NOC(CC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=N1	REAL300002980204	0	58	0.0	-47.71	428.14	9.19	-38.52
CC1CC1C1=NOC(CC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=N1	REAL300002980204	1	58	0.0	-47.71	428.14	9.19	-38.52
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(C(F)(F)F)C=C3)CC2)C1	REAL300002980308	0	47	0.0	-51.60	378.69	9.64	-41.96
CC1=CC=C(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2)C=C1	REAL300002980410	0	50	0.0	-49.13	375.91	9.90	-39.23
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC2=CC=C(F)C=C21	REAL300002980524	0	50	0.0	-47.44	356.80	10.87	-36.57
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC2=CC=C(F)C=C21	REAL300002980524	1	50	0.0	-47.44	356.80	10.87	-36.57
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC[C@H]3O[C@@H](C4=CC=CC=C4)C[C@H]32)C1	REAL300002980643	0	55	0.0	-46.82	391.02	10.05	-36.77
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC2CCC1CC2	REAL300002980747	0	53	0.0	-47.01	368.04	9.41	-37.60
CSC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1C	REAL300002980922	0	44	0.0	-50.35	343.19	8.93	-41.42
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CC(C(=O)NCC(CC1CC1)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300002984544	0	59	0.0	-50.90	442.94	12.29	-38.61
CC(C(=O)NCC(CC1CC1)C(=O)[O-])[NH+]1CCSCC1	REAL300002984574	1	44	0.0	-51.00	338.35	7.65	-43.35
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC(CC1CC1)C(=O)[O-]	REAL300002984581	0	49	0.0	-54.05	383.85	10.25	-43.80
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC(CC1CC1)C(=O)[O-]	REAL300002984581	1	49	0.0	-57.13	388.05	10.15	-46.98
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CC(C)[NH+]1CCN(CCCC(=O)NCC(CC2CC2)C(=O)[O-])CC1	REAL300002984630	0	57	0.0	-62.68	425.76	7.69	-54.99
CC(C)N1CC[NH+](CCCC(=O)NCC(CC2CC2)C(=O)[O-])CC1	REAL300002984630	1	57	0.0	-62.41	422.07	7.48	-54.93
C[NH+](C)CCN1C=C(C(=O)NCC(CC2CC2)C(=O)[O-])C=N1	REAL300002984632	0	46	0.0	-73.96	372.38	7.19	-66.77
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CC(C(=O)NCC(CC1CC1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300002984648	1	50	0.0	-53.95	383.12	10.27	-43.68
CC(C(=O)NCC(CC1CC1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300002984648	1	50	0.0	-53.29	387.29	10.08	-43.21
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CC(C)[N@@H+]1CCC(C(=O)NCC(CC2CC2)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002984789	0	59	0.0	-55.90	430.70	8.97	-46.93
CC(C)[N@H+]1CCC(C(=O)NCC(CC2CC2)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300002984789	1	59	0.0	-68.57	440.09	9.20	-59.37
CN1C=C(C2C[N@H+](C)CCC2C(=O)NCC(CC2CC2)C(=O)[O-])C=N1	REAL300002984790	0	53	0.0	-69.95	403.63	8.28	-61.67
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CN1CC[NH+](CC2=CC=C(C(=O)NCC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300002984797	1	55	0.0	-69.19	419.21	8.59	-60.60
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(CC2CC2)C(=O)[O-])C=C1	REAL300002984798	0	56	0.0	-67.21	426.12	10.42	-56.79
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C[NH+](C)C(C(=O)NCC(CC1CC1)C(=O)[O-])C1=CC=CC=C1	REAL300002984966	1	46	0.0	-46.36	359.40	9.32	-37.04
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CC(C)C1=[NH+]C=CN1CCC(=O)NCC(CC1CC1)C(=O)[O-]	REAL300002984975	1	47	0.0	-53.97	374.32	8.86	-45.11
C[NH+](C)CC1=C(C(=O)NCC(CC2CC2)C(=O)[O-])OC2=CC=CC=C21	REAL300002984976	0	49	0.0	-59.42	390.03	9.66	-49.76
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CC(C)C(C(=O)NCC(CC1CC1)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300002985004	1	56	0.0	-50.06	411.43	8.90	-41.16
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CC[NH+](CC)CC1=CC=C(C(=O)NCC(CC2CC2)C(=O)[O-])O1	REAL300002985084	0	49	0.0	-65.63	383.90	8.60	-57.03
CC1=CC=C(N2CCC(C(=O)NCC(CC3CC3)C(=O)[O-])CC2)[NH+]=C1	REAL300002985085	1	52	0.0	-58.59	398.74	8.90	-49.69
C[N@H+](CC(=O)NCC(CC1CC1)C(=O)[O-])CC1=CC=CC=C1	REAL300002985086	1	46	0.0	-53.32	361.37	9.41	-43.91
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CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300002985089	0	58	0.0	-71.07	435.08	9.56	-61.51
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC1CC1)C(=O)[O-]	REAL300002985134	0	53	0.0	-66.19	412.77	10.68	-55.51
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC1CC1)C(=O)[O-]	REAL300002985134	1	53	0.0	-61.78	410.36	10.92	-50.86
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC(CC2CC2)C(=O)[O-])C=C1	REAL300002985152	0	54	0.0	-73.20	431.40	10.17	-63.03
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CC(C)(C)[N@H+]1C[C@H](C(=O)NCC(CC2CC2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300002985201	1	52	0.0	-48.46	402.03	8.99	-39.47
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C[NH+](C)CCC1=CC=CC(C(=O)NCC(CC2CC2)C(=O)[O-])=C1	REAL300002985987	0	49	0.0	-70.86	385.36	10.15	-60.71
C[NH+](C)CCOC1=CC=C(C(=O)NCC(CC2CC2)C(=O)[O-])C=C1	REAL300002985993	0	50	0.0	-68.72	390.92	9.07	-59.65
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CC1C[N@H+](CC2=CC=C(C(=O)NCC(CC3CC3)C(=O)[O-])C=C2)CCO1	REAL300002986074	1	54	0.0	-69.74	407.20	9.56	-60.18
CC1C[N@@H+](CC2=CC=C(C(=O)NCC(CC3CC3)C(=O)[O-])C=C2)CCO1	REAL300002986074	1	54	0.0	-74.65	413.59	9.36	-65.29
CC(C)C[N@@H+]1CCCC(C(=O)NCC(CC2CC2)C(=O)[O-])C1	REAL300002986160	0	52	0.0	-59.52	389.25	9.41	-50.11
CC(C)C[N@H+]1CCCC(C(=O)NCC(CC2CC2)C(=O)[O-])C1	REAL300002986160	1	52	0.0	-59.52	389.25	9.41	-50.11
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(CC2CC2)C(=O)[O-])C1	REAL300002986168	0	52	0.0	-65.23	364.04	8.58	-56.65
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(CC2CC2)C(=O)[O-])C1	REAL300002986168	1	52	0.0	-65.23	364.04	8.58	-56.65
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CC1=[NH+]C=C2CCC(C(=O)NCC3=NC(C(=O)[O-])=CO3)CN21	REAL300002989172	1	38	0.0	-64.58	321.17	3.07	-61.51
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CC1=NC(C[NH+]2CCC(C(=O)NCC3=NC(C(=O)[O-])=CO3)CC2)=CS1	REAL300002989239	1	45	0.0	-74.32	380.91	3.23	-71.09
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2=NC(C(=O)[O-])=CO2)C=C1	REAL300002989314	0	49	0.0	-75.06	406.89	5.07	-69.99
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=NC(C(=O)[O-])=CO2)=C1	REAL300002989328	0	49	0.0	-79.30	407.69	7.39	-71.91
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=NC(C(=O)[O-])=CO2)=C1	REAL300002989328	1	49	0.0	-79.04	407.65	7.39	-71.65
CC1(C(=O)NCC2=NC(C(=O)[O-])=CO2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300002989329	0	49	0.0	-65.30	386.55	5.96	-59.34
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C[NH+](C)CC1(C(=O)NCC2=NC(C(=O)[O-])=CO2)CCCCC1	REAL300002989412	0	45	0.0	-73.38	337.22	3.97	-69.41
C[N@H+](CCC(=O)NCC1=NC(C(=O)[O-])=CO1)C1CCCCC1	REAL300002989415	0	45	0.0	-71.57	351.24	3.91	-67.66
C[N@@H+](CCC(=O)NCC1=NC(C(=O)[O-])=CO1)C1CCCCC1	REAL300002989415	1	45	0.0	-71.22	351.24	3.92	-67.30
O=C([O-])C1=COC(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=N1	REAL300002989495	0	39	0.0	-72.74	342.07	2.94	-69.80
C[NH+](C)CCN1N=CC(C(=O)NCC2=NC(C(=O)[O-])=CO2)=C1C1=CC=CC=C1	REAL300002989500	0	49	0.0	-79.33	406.13	5.06	-74.27
O=C([O-])C1=COC(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)=N1	REAL300002989526	0	46	0.0	-62.42	349.81	4.09	-58.33
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CC[N@H+](CC1=CC=C(C(=O)NCC2=NC(C(=O)[O-])=CO2)C=C1)C(C)C	REAL300002989556	0	48	0.0	-74.62	372.14	5.26	-69.36
CC[N@@H+](CC1=CC=C(C(=O)NCC2=NC(C(=O)[O-])=CO2)C=C1)C(C)C	REAL300002989556	1	48	0.0	-73.01	370.33	4.98	-68.03
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O=C([O-])C1=COC(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)=N1	REAL300002989604	0	47	0.0	-71.00	349.57	2.16	-68.84
CC(C(=O)NCC1=NC(C(=O)[O-])=CO1)[N@H+](C)CC1=CC=CC=C1	REAL300002989607	0	42	0.0	-67.26	347.98	4.31	-62.95
CC(C(=O)NCC1=NC(C(=O)[O-])=CO1)[N@@H+](C)CC1=CC=CC=C1	REAL300002989607	1	42	0.0	-68.94	347.71	4.32	-64.62
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CCC[NH+](CCC)CCCC(=O)NCC1=NC(C(=O)[O-])=CO1	REAL300002989660	0	47	0.0	-71.60	375.39	4.54	-67.06
CC[N@H+](C)C(C(=O)NCC1=NC(C(=O)[O-])=CO1)C1=CC=CC=C1	REAL300002989662	0	42	0.0	-63.10	345.35	4.48	-58.62
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CC[NH+](CC)C(C(=O)NCC1=NC(C(=O)[O-])=CO1)C1=CC=CC=C1	REAL300002989667	0	45	0.0	-66.79	353.04	4.49	-62.30
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C[C@H]1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C[C@@H](C(=O)[O-])O1	REAL300003000361	0	49	0.0	-63.59	365.36	8.35	-55.24
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C[C@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@@H](C(=O)[O-])O1	REAL300003000385	0	52	0.0	-59.47	362.97	6.74	-52.73
CC(C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300003000388	0	47	0.0	-53.82	359.39	8.80	-45.02
CC(C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003000388	1	47	0.0	-54.51	359.54	8.81	-45.70
C[C@H]1CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003000398	0	54	0.0	-62.41	408.62	10.78	-51.63
C[C@H]1CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003000398	1	54	0.0	-58.73	400.06	10.92	-47.81
C[C@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C[C@@H](C(=O)[O-])O1	REAL300003000429	0	43	0.0	-66.89	339.09	6.04	-60.85
CCC[NH+](CCC)CCCC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	REAL300003000440	0	52	0.0	-61.31	384.27	8.80	-52.51
C[C@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C[C@@H](C(=O)[O-])O1	REAL300003000441	1	52	0.0	-50.43	390.52	6.65	-43.78
CC[N@H+](C)C(C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300003000442	0	47	0.0	-52.68	350.24	8.68	-44.00
CC[N@@H+](C)C(C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300003000442	1	47	0.0	-51.83	353.52	8.72	-43.11
CC[NH+](CC)C(C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300003000447	0	50	0.0	-50.15	364.38	9.03	-41.12
C[C@H]1CN(C(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C[C@@H](C(=O)[O-])O1	REAL300003000453	1	44	0.0	-55.46	354.78	8.67	-46.79
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003000467	0	48	0.0	-63.70	368.28	9.09	-54.61
C[C@H]1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C[C@@H](C(=O)[O-])O1	REAL300003000474	0	51	0.0	-66.16	385.90	9.87	-56.29
CCN1CCC([NH+]2CCC(C(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)CC2)CC1	REAL300003000480	0	59	0.0	-59.77	419.15	7.53	-52.24
CC1C[NH+](CC2=CC=C(C(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)C=C2)CC(C)O1	REAL300003000487	1	55	0.0	-68.46	419.64	8.96	-59.50
C[C@H]1CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@@H](C(=O)[O-])O1	REAL300003000496	1	52	0.0	-66.61	400.49	9.44	-57.17
C[C@H]1CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@@H](C(=O)[O-])O1	REAL300003000496	1	52	0.0	-67.03	400.43	9.40	-57.63
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300003000510	0	51	0.0	-51.80	372.00	9.50	-42.30
C[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300003000510	1	51	0.0	-50.67	375.06	9.65	-41.02
CC1=C(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300003000512	1	42	0.0	-72.70	340.59	6.39	-66.31
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003000520	0	51	0.0	-64.93	385.96	9.87	-55.06
C[C@H]1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C[C@@H](C(=O)[O-])O1	REAL300003000532	1	44	0.0	-73.00	348.09	7.35	-65.65
C[C@H]1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003000533	0	47	0.0	-67.83	366.84	8.86	-58.97
C[C@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@@H](C(=O)[O-])O1	REAL300003000541	1	49	0.0	-57.89	375.68	8.63	-49.26
C[C@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@@H](C(=O)[O-])O1	REAL300003000541	1	49	0.0	-85.39	376.23	8.65	-76.74
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	REAL300003000547	0	58	0.0	-67.11	420.74	10.88	-56.23
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	REAL300003000547	1	58	0.0	-63.44	432.20	10.52	-52.92
CC(C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003000555	0	57	0.0	-55.37	422.64	11.25	-44.12
CC(C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[NH+]1CCSCC1	REAL300003000587	1	42	0.0	-54.79	323.02	6.75	-48.04
C[C@H]1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300003000594	0	47	0.0	-59.75	365.35	9.29	-50.46
C[C@H]1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300003000594	1	47	0.0	-59.80	365.35	9.29	-50.51
COCCOCC[N@H+](C)CCC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	REAL300003000595	0	51	0.0	-59.86	394.20	5.51	-54.35
COCCOCC[N@@H+](C)CCC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	REAL300003000595	1	51	0.0	-60.94	394.27	5.53	-55.41
C[C@H]1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C[C@@H](C(=O)[O-])O1	REAL300003000598	0	45	0.0	-60.83	323.90	5.12	-55.71
C[C@H]1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C[C@@H](C(=O)[O-])O1	REAL300003000598	1	45	0.0	-59.33	326.74	5.01	-54.32
C[C@H]1CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@@H](C(=O)[O-])O1	REAL300003000606	0	56	0.0	-65.80	420.49	9.02	-56.78
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C[C@@H](C(=O)[O-])O1	REAL300003000607	1	50	0.0	-56.09	367.11	7.77	-48.32
C[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C[C@@H](C(=O)[O-])O1	REAL300003000607	1	50	0.0	-55.66	370.39	7.88	-47.78
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C[C@@H](C(=O)[O-])O1	REAL300003000608	1	50	0.0	-55.62	377.51	8.13	-47.49
C[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C[C@@H](C(=O)[O-])O1	REAL300003000608	1	50	0.0	-54.00	377.95	8.18	-45.82
CCCCCC[N@H+](C)CC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	REAL300003000609	0	49	0.0	-56.67	369.91	8.58	-48.09
CCCCCC[N@@H+](C)CC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	REAL300003000609	1	49	0.0	-56.63	369.94	8.60	-48.03
C[C@H]1CN(C(=O)C[N@H+](C)C2CCSC2)C[C@@H](C(=O)[O-])O1	REAL300003000633	0	42	0.0	-59.81	325.34	7.07	-52.74
C[C@H]1CN(C(=O)C[N@@H+](C)C2CCSC2)C[C@@H](C(=O)[O-])O1	REAL300003000633	1	42	0.0	-60.16	326.85	7.02	-53.14
CC(C)[NH+]1CCN(CCC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC1	REAL300003000644	0	52	0.0	-59.77	376.31	5.67	-54.10
CC(C)N1CC[NH+](CCC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC1	REAL300003000644	1	52	0.0	-58.77	380.74	6.04	-52.73
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC1	REAL300003000645	0	55	0.0	-62.41	398.97	6.62	-55.79
CC(C)N1CC[NH+](CCCC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC1	REAL300003000645	1	55	0.0	-61.69	399.86	6.69	-55.00
C[C@H]1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C[C@@H](C(=O)[O-])O1	REAL300003000647	0	44	0.0	-83.40	348.08	6.01	-77.39
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)CC2)=C1	REAL300003000652	0	56	0.0	-62.83	419.77	8.83	-54.00
C[C@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@@H](C(=O)[O-])O1	REAL300003000654	0	53	0.0	-62.95	398.87	8.22	-54.73
C[C@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003000658	0	50	0.0	-62.50	373.68	8.32	-54.18
C[C@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003000658	1	50	0.0	-78.94	380.82	8.03	-70.91
CC(C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003000663	1	48	0.0	-73.04	360.56	9.18	-63.86
CC(C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003000663	1	48	0.0	-53.87	362.47	9.16	-44.71
C[C@H]1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003000691	0	51	0.0	-64.17	391.62	10.14	-54.03
C[C@H]1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003000691	1	51	0.0	-64.23	390.59	10.11	-54.12
C[C@H]1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003000703	0	44	0.0	-67.42	347.98	6.67	-60.75
C[C@H]1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C[C@@H](C(=O)[O-])O1	REAL300003000704	0	44	0.0	-63.86	342.45	6.03	-57.83
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	REAL300003000709	1	45	0.0	-54.11	352.13	8.10	-46.01
C[C@H]1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C[C@@H](C(=O)[O-])O1	REAL300003000712	1	45	0.0	-84.29	349.13	6.19	-78.10
C[C@H]1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C[C@@H](C(=O)[O-])O1	REAL300003000712	1	45	0.0	-70.90	349.08	6.21	-64.69
C[C@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003000723	0	51	0.0	-77.75	383.87	10.10	-67.65
C[C@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003000723	1	51	0.0	-63.95	392.99	9.98	-53.97
C[C@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C[C@@H](C(=O)[O-])O1	REAL300003000724	1	47	0.0	-49.07	359.21	7.32	-41.75
C[C@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C[C@@H](C(=O)[O-])O1	REAL300003000724	1	47	0.0	-54.95	361.63	7.48	-47.47
CC(C[NH+]1CCOCC1)C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	REAL300003000728	0	45	0.0	-57.26	337.70	5.50	-51.76
C[C@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C[C@@H](C(=O)[O-])O1	REAL300003000729	0	52	0.0	-62.57	396.62	7.64	-54.93
C[C@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C[C@@H](C(=O)[O-])O1	REAL300003000776	0	51	0.0	-57.52	369.13	8.60	-48.92
C[C@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C[C@@H](C(=O)[O-])O1	REAL300003000776	1	51	0.0	-56.76	367.66	8.62	-48.14
C[C@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C[C@@H](C(=O)[O-])O1	REAL300003000796	0	56	0.0	-67.61	417.28	9.13	-58.48
C[C@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C[C@@H](C(=O)[O-])O1	REAL300003000796	1	56	0.0	-65.46	413.00	9.27	-56.19
C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H](C(=O)[O-])O1	REAL300003000803	0	48	0.0	-60.05	338.23	5.45	-54.60
CC(C)[N@@H+]1CCC(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003000806	0	57	0.0	-63.09	404.67	8.02	-55.07
CC(C)[N@H+]1CCC(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003000806	1	57	0.0	-63.61	426.59	8.77	-54.84
C[C@H]1CN(C(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C[C@@H](C(=O)[O-])O1	REAL300003000807	0	51	0.0	-69.62	384.79	7.16	-62.46
C[C@H]1CN(C(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C[C@@H](C(=O)[O-])O1	REAL300003000807	1	51	0.0	-68.40	384.14	7.17	-61.23
C[C@H]1CN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C[C@@H](C(=O)[O-])O1	REAL300003000813	0	53	0.0	-80.17	403.14	7.46	-72.71
C[C@H]1CN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003000814	0	53	0.0	-82.33	401.06	7.38	-74.95
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003000814	1	53	0.0	-67.13	402.44	7.31	-59.82
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C=C1	REAL300003000815	0	54	0.0	-65.20	408.81	9.12	-56.08
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003000917	0	55	0.0	-69.70	417.58	7.17	-62.53
C[C@H]1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C[C@@H](C(=O)[O-])O1	REAL300003000921	0	44	0.0	-67.83	344.38	8.01	-59.82
C[C@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003000922	0	51	0.0	-56.15	386.95	9.93	-46.22
C[C@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003000922	1	51	0.0	-75.43	386.04	9.89	-65.54
C[C@H]1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C[C@@H](C(=O)[O-])O1	REAL300003000978	0	44	0.0	-56.61	340.76	7.99	-48.62
CC[NH+]1CCN(CCC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC1	REAL300003000980	0	49	0.0	-61.92	364.67	5.53	-56.39
CCN1CC[NH+](CCC(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC1	REAL300003000980	1	49	0.0	-58.84	363.63	5.41	-53.43
CC(C)C(C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300003000983	0	50	0.0	-51.42	349.50	8.18	-43.24
C[C@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C[C@@H](C(=O)[O-])O1	REAL300003000984	1	44	0.0	-53.35	338.06	8.15	-45.20
C[C@H]1CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003000988	0	49	0.0	-57.61	377.24	6.25	-51.36
C[C@H]1CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003000988	1	49	0.0	-57.10	373.68	6.19	-50.91
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	REAL300003000993	1	45	0.0	-53.60	351.51	8.02	-45.58
C[C@H]1CN(C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C[C@@H](C(=O)[O-])O1	REAL300003000994	0	47	0.0	-68.00	361.90	8.63	-59.37
C[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@@H](C(=O)[O-])O1	REAL300003000998	0	48	0.0	-51.52	335.59	8.32	-43.20
C[C@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@@H](C(=O)[O-])O1	REAL300003000998	1	48	0.0	-52.83	341.76	8.29	-44.54
CC(C)C(C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300003001022	1	54	0.0	-52.39	374.73	6.96	-45.43
C[C@H]1CN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C[C@@H](C(=O)[O-])O1	REAL300003001049	1	49	0.0	-82.81	379.63	8.45	-74.36
C[C@H]1CN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C[C@@H](C(=O)[O-])O1	REAL300003001049	1	49	0.0	-73.37	379.62	8.43	-64.94
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)O1	REAL300003001102	0	47	0.0	-56.57	362.80	7.92	-48.65
CC1=CC=C(N2CCC(C(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)CC2)[NH+]=C1	REAL300003001103	1	50	0.0	-58.02	379.68	7.65	-50.37
C[C@H]1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300003001104	1	44	0.0	-57.85	342.90	8.42	-49.43
C[C@H]1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300003001104	1	44	0.0	-57.85	342.84	8.42	-49.43
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300003001107	0	56	0.0	-65.21	408.64	8.17	-57.04
C[C@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@@H](C(=O)[O-])O1	REAL300003001118	1	39	0.0	-81.67	322.11	5.90	-75.77
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	REAL300003001152	0	51	0.0	-58.00	388.14	9.71	-48.29
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1	REAL300003001152	1	51	0.0	-61.38	383.93	9.94	-51.44
C[C@H]1CN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003001170	0	52	0.0	-84.77	407.43	9.31	-75.46
C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H](C(=O)[O-])O1	REAL300003001185	0	45	0.0	-66.18	346.11	7.00	-59.18
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C[C@@H](C(=O)[O-])O1	REAL300003001189	0	48	0.0	-59.81	368.31	8.49	-51.32
C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C[C@@H](C(=O)[O-])O1	REAL300003001220	0	50	0.0	-56.42	378.87	7.96	-48.46
C[C@H]1CN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C[C@@H](C(=O)[O-])O1	REAL300003001220	1	50	0.0	-52.73	374.01	7.77	-44.96
C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@@H](C(=O)[O-])O1	REAL300003001380	0	45	0.0	-56.40	339.80	4.01	-52.39
C[C@H]1CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C[C@@H](C(=O)[O-])O1	REAL300003001465	0	52	0.0	-82.92	389.38	10.04	-72.88
C[C@H]1CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C[C@@H](C(=O)[O-])O1	REAL300003001465	1	52	0.0	-55.54	392.38	10.01	-45.53
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C[C@@H](C(=O)[O-])O1	REAL300003001497	1	51	0.0	-55.76	388.98	9.99	-45.77
C[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C[C@@H](C(=O)[O-])O1	REAL300003001497	1	51	0.0	-51.67	389.80	10.04	-41.63
C[C@H]1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C[C@@H](C(=O)[O-])O1	REAL300003001580	0	41	0.0	-68.81	314.18	6.76	-62.05
C[C@H]1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C[C@@H](C(=O)[O-])O1	REAL300003001580	1	41	0.0	-58.82	318.39	6.00	-52.82
C[C@H]1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C[C@@H](C(=O)[O-])O1	REAL300003002013	0	47	0.0	-68.43	366.84	8.84	-59.59
C[C@H]1CN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003002019	0	48	0.0	-67.14	374.19	7.79	-59.35
C[C@H]1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C[C@@H](C(=O)[O-])O1	REAL300003002098	0	54	0.0	-65.16	405.49	10.76	-54.40
CC1C[N@H+](CC2=CC=C(C(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)C=C2)CCO1	REAL300003002100	1	52	0.0	-68.68	398.60	8.25	-60.43
CC1C[N@@H+](CC2=CC=C(C(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)C=C2)CCO1	REAL300003002100	1	52	0.0	-69.66	397.61	8.21	-61.45
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1	REAL300003002184	0	50	0.0	-68.20	357.63	8.50	-59.70
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1	REAL300003002184	1	50	0.0	-68.20	357.63	8.50	-59.70
C[C@H]1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C[C@@H](C(=O)[O-])O1	REAL300003002192	0	50	0.0	-56.14	350.00	7.36	-48.78
C[C@H]1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C[C@@H](C(=O)[O-])O1	REAL300003002192	1	50	0.0	-56.14	350.00	7.36	-48.78
CC1=CC=CC=C1C1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC1	REAL300003002262	0	50	0.0	-44.83	364.29	9.48	-35.35
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC=C3Cl)CCC2)C1	REAL300003002365	0	47	0.0	-45.83	369.61	9.47	-36.36
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC=C3Br)CCC2)C1	REAL300003002461	0	47	0.0	-45.68	372.82	9.61	-36.07
COC1=CC=C(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)N=C1	REAL300003002637	0	53	0.0	-48.31	388.71	7.89	-40.42
COC1=CC=C(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)N=C1	REAL300003002637	1	53	0.0	-48.31	388.71	7.89	-40.42
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(CCC4=CC=CC=C4C3)CC2)C1	REAL300003002766	0	57	0.0	-48.56	401.69	12.07	-36.49
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(CCC4=CC=CC=C4C3)CC2)C1	REAL300003002766	1	57	0.0	-48.56	401.69	12.07	-36.49
COC1=CC=C(Cl)C(N2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300003002879	0	53	0.0	-48.40	406.79	8.91	-39.49
COC1=CC=C(Cl)C(N2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300003002879	1	53	0.0	-48.40	406.79	8.91	-39.49
COC1=CC=C(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003002950	0	44	0.0	-51.40	336.19	8.30	-43.10
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC=C2OCC2=CC=CC=C2)C1	REAL300003003046	1	51	0.0	-46.62	395.07	10.73	-35.89
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2OCC2=CC=CC=C2)C1	REAL300003003046	1	51	0.0	-46.43	393.42	10.29	-36.14
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=CC(Cl)=C3)CCC2)C1	REAL300003003159	0	47	0.0	-47.19	363.31	9.38	-37.81
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=CC(Cl)=C3)CCC2)C1	REAL300003003159	1	47	0.0	-49.72	364.58	9.91	-39.81
CC1CC2(CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CCOCC2	REAL300003003268	0	51	0.0	-46.65	357.74	7.72	-38.93
CC1CC2(CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CCOCC2	REAL300003003268	1	51	0.0	-46.49	360.43	8.00	-38.49
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCC(F)CC2)C1	REAL300003003362	0	46	0.0	-46.44	335.46	7.40	-39.04
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCC(F)CC2)C1	REAL300003003362	1	46	0.0	-49.40	337.35	7.84	-41.56
O=C([O-])[C@@H]1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C[C@H]1C1=CC=CC=C1	REAL300003004425	0	57	0.0	-66.85	431.89	13.27	-53.58
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1	REAL300003004997	0	54	0.0	-50.19	413.57	12.74	-37.45
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1	REAL300003004997	1	54	0.0	-46.73	409.94	12.43	-34.30
O=C([O-])[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1C1=CC=CC=C1	REAL300003005854	0	51	0.0	-58.57	384.65	11.12	-47.45
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@H]1C1=CC=CC=C1	REAL300003005880	0	48	0.0	-54.33	362.72	10.13	-44.20
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@H]1C1=CC=CC=C1	REAL300003005880	1	48	0.0	-54.09	364.90	10.53	-43.56
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](C4=CC=CC=C4)[C@H](C(=O)[O-])C3)CN12	REAL300003005886	1	49	0.0	-57.21	379.37	10.80	-46.41
O=C([O-])[C@@H]1CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C[C@H]1C1=CC=CC=C1	REAL300003005887	0	57	0.0	-59.17	426.10	12.70	-46.47
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300003005966	0	47	0.0	-57.05	348.01	9.63	-47.42
C[N@H+]1CCCCC1C(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300003005966	1	47	0.0	-55.57	347.30	9.56	-46.01
CC(C(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300003005967	1	52	0.0	-60.98	389.55	8.25	-52.73
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300003006008	0	47	0.0	-55.80	353.57	9.86	-45.94
C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300003006008	1	47	0.0	-58.38	346.31	9.60	-48.78
C[NH+]1CCC(C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300003006092	0	47	0.0	-61.88	359.81	9.92	-51.96
O=C([O-])[C@@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C[C@H]1C1=CC=CC=C1	REAL300003006121	0	42	0.0	-62.83	350.52	11.75	-51.08
C[NH+](C)CC1(C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CCCCC1	REAL300003006156	0	56	0.0	-49.58	389.17	11.38	-38.20
C[N@H+](CCC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1CCCCC1	REAL300003006161	0	56	0.0	-58.87	413.27	11.95	-46.92
C[N@@H+](CCC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1)C1CCCCC1	REAL300003006161	1	56	0.0	-56.98	412.10	11.99	-44.99
C[N@@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300003006177	0	44	0.0	-55.95	333.83	8.82	-47.13
C[N@H+]1CCCC1C(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300003006177	1	44	0.0	-51.51	337.39	9.15	-42.36
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@H]1C1=CC=CC=C1	REAL300003006182	1	54	0.0	-54.36	424.91	12.99	-41.37
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C[C@H]1C1=CC=CC=C1	REAL300003006182	1	54	0.0	-57.42	418.09	12.50	-44.92
C[NH+]1CCC(C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300003006233	0	47	0.0	-61.88	359.81	9.92	-51.96
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C[C@H]1C1=CC=CC=C1	REAL300003006237	0	50	0.0	-69.54	398.40	10.55	-58.99
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@H]1C1=CC=CC=C1	REAL300003006257	0	57	0.0	-53.54	409.55	12.60	-40.94
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C[C@H]1C1=CC=CC=C1	REAL300003006257	1	57	0.0	-52.49	411.28	12.10	-40.39
O=C([O-])[C@@H]1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@H]1C1=CC=CC=C1	REAL300003006258	0	58	0.0	-67.21	421.89	10.26	-56.95
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300003006293	1	48	0.0	-58.42	385.83	11.27	-47.15
O=C([O-])[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C1=CC=CC=C1	REAL300003006294	1	54	0.0	-65.61	413.13	9.96	-55.65
CC[N@H+](CC1=CC=C(C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C=C1)C(C)C	REAL300003006297	0	59	0.0	-82.34	436.83	13.00	-69.34
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)C=C1)C(C)C	REAL300003006297	1	59	0.0	-83.71	429.50	12.77	-70.94
C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300003006300	0	44	0.0	-47.36	333.53	8.89	-38.47
C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C2=CC=CC=C2)[C@H](C(=O)[O-])C1	REAL300003006300	1	44	0.0	-56.87	337.25	9.26	-47.61
C[NH+](C)C1(C(=O)N2C[C@@H](C3=CC=CC=C3)[C@H](C(=O)[O-])C2)CC1	REAL300003006309	0	44	0.0	-56.26	336.58	8.77	-47.49
O=C([O-])[C@@H]1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1C1=CC=CC=C1	REAL300003006355	0	54	0.0	-64.21	414.79	12.62	-51.59
O=C([O-])[C@@H]1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1C1=CC=CC=C1	REAL300003006355	1	54	0.0	-64.29	416.48	12.69	-51.60
O=C([O-])[C@@H]1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C[C@H]1C1=CC=CC=C1	REAL300003006356	0	55	0.0	-64.83	415.05	11.89	-52.94
O=C([O-])[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@H]1C1=CC=CC=C1	REAL300003006380	0	58	0.0	-60.34	411.58	10.19	-50.15
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O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003023048	0	49	0.0	-56.88	347.38	5.13	-51.75
CC(C(=O)N[C@H]1CCO[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003023051	0	44	0.0	-53.10	344.60	7.21	-45.89
CC(C(=O)N[C@H]1CCO[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003023051	1	44	0.0	-49.44	344.64	7.20	-42.24
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003023058	0	51	0.0	-62.99	393.49	9.29	-53.70
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003023058	1	51	0.0	-54.36	387.26	9.48	-44.88
CCC[NH+](CCC)CCCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003023078	0	49	0.0	-57.71	369.31	7.71	-50.00
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003023093	0	45	0.0	-69.69	352.28	7.83	-61.86
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003023098	0	48	0.0	-68.45	368.46	8.68	-59.77
CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])CC2)CC1	REAL300003023104	0	56	0.0	-58.72	403.65	6.07	-52.65
CC1C[NH+](CC2=CC=C(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300003023110	1	52	0.0	-71.44	403.27	7.67	-63.77
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003023120	1	49	0.0	-66.99	382.99	7.89	-59.10
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003023120	1	49	0.0	-67.68	373.89	7.27	-60.41
CC1=C(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003023134	1	39	0.0	-74.05	324.03	5.08	-68.97
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003023137	0	48	0.0	-69.60	369.58	8.58	-61.02
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003023147	1	41	0.0	-72.66	335.00	5.46	-67.20
C[NH+](C)CCC1=CC=C(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300003023148	0	44	0.0	-73.49	350.48	7.56	-65.93
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003023151	1	46	0.0	-52.08	363.98	7.27	-44.81
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003023151	1	46	0.0	-45.29	356.88	7.08	-38.21
CC(C(=O)N[C@H]1CCO[C@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003023159	0	54	0.0	-53.16	402.85	9.58	-43.58
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003023184	0	44	0.0	-55.13	349.00	7.67	-47.46
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003023184	1	44	0.0	-55.01	349.00	7.67	-47.34
COCCOCC[N@H+](C)CCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003023185	0	48	0.0	-56.94	376.90	3.94	-53.00
COCCOCC[N@@H+](C)CCC(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003023185	1	48	0.0	-56.52	376.94	3.94	-52.58
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003023191	0	53	0.0	-64.56	403.69	7.34	-57.22
CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300003023217	0	49	0.0	-61.44	359.00	4.10	-57.34
CC(C)N1CC[NH+](CCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300003023217	1	49	0.0	-53.69	358.93	4.49	-49.20
CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300003023218	0	52	0.0	-63.67	382.73	4.97	-58.70
CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300003023218	1	52	0.0	-60.86	383.24	5.02	-55.84
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@H]3CCO[C@H]3C(=O)[O-])CC2)=C1	REAL300003023222	0	53	0.0	-60.74	403.60	7.22	-53.52
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003023223	0	50	0.0	-60.59	382.69	6.58	-54.01
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003023226	0	47	0.0	-58.55	359.58	6.76	-51.79
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003023226	1	47	0.0	-62.21	365.88	6.66	-55.55
CC(C(=O)N[C@H]1CCO[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003023230	1	45	0.0	-50.04	347.09	7.71	-42.33
CC(C(=O)N[C@H]1CCO[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003023230	1	45	0.0	-47.74	344.18	7.84	-39.90
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003023247	0	48	0.0	-63.72	374.85	8.45	-55.27
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003023247	1	48	0.0	-61.72	374.12	8.53	-53.19
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003023264	0	48	0.0	-61.25	371.16	8.68	-52.57
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003023264	1	48	0.0	-56.30	368.01	8.94	-47.36
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003023266	0	49	0.0	-56.75	377.31	6.24	-50.51
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300003023288	1	48	0.0	-65.94	367.45	6.69	-59.25
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003023289	0	48	0.0	-51.24	352.27	7.40	-43.84
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003023289	1	48	0.0	-55.04	353.98	7.17	-47.87
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=C2)CC1	REAL300003023307	0	50	0.0	-71.42	383.56	6.39	-65.03
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C2)CC1	REAL300003023308	0	50	0.0	-70.34	385.50	6.26	-64.08
CN1CC[NH+](CC2=CC=C(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C2)CC1	REAL300003023308	1	50	0.0	-70.56	386.12	6.04	-64.52
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300003023309	0	51	0.0	-68.19	393.15	7.83	-60.36
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003023362	0	52	0.0	-72.04	401.28	5.90	-66.14
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003023364	0	48	0.0	-57.86	369.88	8.49	-49.37
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003023364	1	48	0.0	-56.65	369.79	8.49	-48.16
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=CC=C1N2	REAL300003023444	1	46	0.0	-76.08	361.88	7.21	-68.87
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=CC=C1N2	REAL300003023444	1	46	0.0	-76.55	361.88	7.24	-69.31
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])O1	REAL300003023482	0	44	0.0	-63.33	345.72	6.12	-57.21
CC1=CC=C(N2CCC(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300003023484	1	47	0.0	-58.17	362.78	6.42	-51.75
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C2)CC1	REAL300003023487	0	53	0.0	-72.23	392.11	6.87	-65.36
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003023494	1	36	0.0	-71.95	309.17	4.68	-67.27
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003023518	0	48	0.0	-60.99	370.63	8.24	-52.75
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003023518	1	48	0.0	-61.90	372.39	8.29	-53.61
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300003023533	0	49	0.0	-71.41	391.23	7.81	-63.60
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003023545	0	45	0.0	-63.96	355.99	6.91	-57.05
C[N@@H+]1CC(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300003023789	0	38	0.0	-52.32	312.69	5.10	-47.22
C[N@H+]1CC(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300003023789	1	38	0.0	-49.15	306.24	4.84	-44.31
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300003024076	0	44	0.0	-71.99	350.54	7.56	-64.43
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300003024079	0	45	0.0	-69.24	356.74	6.62	-62.62
O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003024139	0	51	0.0	-60.74	388.44	9.28	-51.46
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C2)CCO1	REAL300003024141	1	49	0.0	-71.44	375.38	6.89	-64.55
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C2)CCO1	REAL300003024141	1	49	0.0	-71.92	382.16	6.92	-65.00
CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300003024238	0	40	0.0	-51.14	325.68	8.39	-42.75
CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300003024238	1	40	0.0	-50.53	319.95	8.43	-42.10
COC1=CC=CC(C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])=C1	REAL300003025259	0	54	0.0	-78.09	423.20	10.48	-67.61
COC1=CC=CC(C(NC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])=C1	REAL300003026535	0	48	0.0	-71.78	375.92	8.33	-63.45
COC1=CC=CC(C(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)C(=O)[O-])=C1	REAL300003026561	1	46	0.0	-65.06	369.72	8.00	-57.06
COC1=CC=CC(C(NC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300003026628	1	49	0.0	-73.08	375.11	5.16	-67.92
COC1=CC=CC(C(NC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])=C1	REAL300003026662	0	44	0.0	-62.53	331.62	6.66	-55.87
COC1=CC=CC(C(NC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])=C1	REAL300003026662	1	44	0.0	-61.08	344.02	6.86	-54.22
COC1=CC=CC(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300003026734	0	44	0.0	-77.17	346.71	6.91	-70.26
COC1=CC=CC(C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])=C1	REAL300003026759	0	39	0.0	-72.99	331.98	8.83	-64.16
COC1=CC=CC(C(NC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])=C1	REAL300003026788	0	53	0.0	-74.27	386.81	8.89	-65.38
COC1=CC=CC(C(NC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])=C1	REAL300003026792	0	53	0.0	-68.45	400.47	8.84	-59.61
COC1=CC=CC(C(NC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])=C1	REAL300003026792	1	53	0.0	-68.47	400.26	8.92	-59.55
COC1=CC=CC(C(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300003026851	0	44	0.0	-77.17	346.71	6.91	-70.26
COC1=CC=CC(C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(=O)[O-])=C1	REAL300003026854	0	47	0.0	-84.04	390.69	7.94	-76.10
COC1=CC=CC(C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C(=O)[O-])=C1	REAL300003026869	0	55	0.0	-69.01	407.06	7.47	-61.54
COC1=CC=CC(C(NC(=O)CCCN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300003026898	1	45	0.0	-69.16	373.06	8.16	-61.00
COC1=CC=CC(C(NC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300003026899	1	51	0.0	-76.96	399.73	6.89	-70.07
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1)C(C)C	REAL300003026901	0	56	0.0	-82.05	425.19	10.20	-71.85
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1)C(C)C	REAL300003026901	1	56	0.0	-84.41	419.75	10.16	-74.25
COC1=CC=CC(C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300003026938	0	51	0.0	-68.59	405.20	9.62	-58.97
COC1=CC=CC(C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300003026938	1	51	0.0	-68.12	405.01	9.71	-58.41
COC1=CC=CC(C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C(=O)[O-])=C1	REAL300003026939	0	52	0.0	-80.30	405.92	9.14	-71.16
COC1=CC=CC(C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C(=O)[O-])=C1	REAL300003026966	0	55	0.0	-70.01	399.18	7.21	-62.80
CCC(C(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1)[NH+](CC)CC	REAL300003026970	0	49	0.0	-55.22	364.44	7.34	-47.88
COC1=CC=CC(C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003026972	0	50	0.0	-60.61	396.86	9.25	-51.36
COC1=CC=CC(C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003026972	1	50	0.0	-62.75	396.35	9.31	-53.44
COC1=CC=CC(C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300003026981	0	57	0.0	-73.72	445.75	11.30	-62.42
COC1=CC=CC(C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300003026981	1	57	0.0	-59.41	438.56	11.56	-47.85
COC1=CC=CC(C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])=C1	REAL300003026994	0	46	0.0	-80.67	376.01	6.87	-73.80
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003027000	0	55	0.0	-71.64	420.17	9.17	-62.47
COC1=CC=CC(C(NC(=O)C2C[N@H+](C)CCO2)C(=O)[O-])=C1	REAL300003027002	1	42	0.0	-79.91	339.24	5.78	-74.13
COC1=CC=CC(C(NC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])=C1	REAL300003027002	1	42	0.0	-80.35	339.45	5.71	-74.64
COC1=CC=CC(C(NC(=O)CN2C=C[NH+]=C2C(C)C)C(=O)[O-])=C1	REAL300003027010	1	45	0.0	-59.06	367.12	8.04	-51.02
COC1=CC=CC(C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(=O)[O-])=C1	REAL300003027025	0	51	0.0	-85.10	404.43	9.95	-75.15
COC1=CC=CC(C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(=O)[O-])=C1	REAL300003027031	0	54	0.0	-78.30	421.77	10.60	-67.70
COC1=CC=CC(C(NC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])=C1	REAL300003027037	0	44	0.0	-68.57	354.56	7.03	-61.54
COC1=CC=CC(C(NC(=O)CCCC[NH+](C)C)C(=O)[O-])=C1	REAL300003027046	0	46	0.0	-76.05	367.20	7.46	-68.59
COC1=CC=CC(C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1	REAL300003027056	1	55	0.0	-81.20	429.61	9.72	-71.48
COC1=CC=CC(C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1	REAL300003027056	1	55	0.0	-81.41	436.42	9.77	-71.64
COC1=CC=CC(C(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])=C1	REAL300003027068	1	45	0.0	-83.02	377.83	7.13	-75.89
COC1=CC=CC(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])=C1	REAL300003027071	0	54	0.0	-85.52	421.17	10.66	-74.86
COC1=CC=CC(C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])=C1	REAL300003027083	1	47	0.0	-81.06	385.27	7.42	-73.64
COC1=CC=CC(C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300003027084	0	50	0.0	-89.05	402.10	9.64	-79.41
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003027090	1	43	0.0	-60.87	351.17	6.41	-54.46
COC1=CC=CC(C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1	REAL300003027091	1	52	0.0	-71.99	415.57	9.32	-62.67
COC1=CC=CC(C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1	REAL300003027091	1	52	0.0	-71.85	409.11	9.13	-62.72
COC1=CC=CC(C(NC(=O)C[N@H+](C)C2CCC2)C(=O)[O-])=C1	REAL300003027111	0	44	0.0	-58.98	348.23	7.24	-51.74
COC1=CC=CC(C(NC(=O)C[N@@H+](C)C2CCC2)C(=O)[O-])=C1	REAL300003027111	1	44	0.0	-57.76	347.68	7.28	-50.48
COC1=CC=CC(C(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-])=C1	REAL300003027140	0	49	0.0	-60.95	372.19	7.81	-53.14
COC1=CC=CC(C(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])=C1	REAL300003027140	1	49	0.0	-60.38	371.49	7.81	-52.57
COC1=CC=CC(C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003027142	0	50	0.0	-64.04	401.24	9.70	-54.34
COC1=CC=CC(C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003027142	1	50	0.0	-63.27	400.61	9.73	-53.54
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003027143	0	54	0.0	-68.25	429.59	5.92	-62.33
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003027143	1	54	0.0	-70.82	430.26	5.87	-64.95
COC1=CC=CC(C(NC(=O)CC2(O)CCC[N@H+](C)C2)C(=O)[O-])=C1	REAL300003027147	0	48	0.0	-70.32	359.20	5.55	-64.77
COC1=CC=CC(C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C(=O)[O-])=C1	REAL300003027147	1	48	0.0	-70.36	369.55	5.67	-64.69
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003027159	0	52	0.0	-62.33	405.83	9.01	-53.32
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003027159	1	52	0.0	-61.47	405.20	9.06	-52.41
COC1=CC=CC(C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])=C1	REAL300003027173	1	39	0.0	-80.38	332.25	8.84	-71.54
COC1=CC=CC(C(NC(=O)C[N@H+](C)C2CCSC2)C(=O)[O-])=C1	REAL300003027186	0	45	0.0	-66.35	361.39	7.47	-58.88
COC1=CC=CC(C(NC(=O)C[N@@H+](C)C2CCSC2)C(=O)[O-])=C1	REAL300003027186	1	45	0.0	-64.71	361.32	7.51	-57.20
COC1=CC=CC(C(NC(=O)CCN2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300003027201	0	55	0.0	-74.56	417.46	6.42	-68.14
COC1=CC=CC(C(NC(=O)CC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])=C1	REAL300003027201	1	55	0.0	-68.06	414.23	6.25	-61.81
COC1=CC=CC(C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300003027202	0	58	0.0	-73.07	438.96	7.22	-65.85
COC1=CC=CC(C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])=C1	REAL300003027202	1	58	0.0	-71.32	434.62	7.06	-64.26
COC1=CC=CC(C(NC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])=C1	REAL300003027203	0	48	0.0	-55.18	366.47	8.10	-47.08
COC1=CC=CC(C(NC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])=C1	REAL300003027203	1	48	0.0	-55.11	366.50	8.09	-47.02
COC1=CC=CC(C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C(=O)[O-])=C1	REAL300003027205	0	47	0.0	-82.90	386.13	6.81	-76.09
COC1=CC=CC(C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C(=O)[O-])=C1	REAL300003027209	0	56	0.0	-70.71	434.26	8.63	-62.08
COC1=CC=CC(C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(=O)[O-])=C1	REAL300003027211	0	53	0.0	-69.89	411.87	8.89	-61.00
COC1=CC=CC(C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(=O)[O-])=C1	REAL300003027211	1	53	0.0	-71.15	417.79	8.65	-62.50
COC1=CC=CC(C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])=C1	REAL300003027216	1	51	0.0	-61.87	397.11	9.81	-52.06
COC1=CC=CC(C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])=C1	REAL300003027216	1	51	0.0	-60.59	396.50	9.87	-50.72
COC1=CC=CC(C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300003027235	0	54	0.0	-74.95	424.95	10.47	-64.48
COC1=CC=CC(C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300003027235	1	54	0.0	-75.70	425.05	10.43	-65.27
COC1=CC=CC(C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300003027248	0	47	0.0	-91.19	386.55	6.84	-84.35
COC1=CC=CC(C(NC(=O)C2=CC=NN2CC[NH+](C)C)C(=O)[O-])=C1	REAL300003027249	0	47	0.0	-58.58	381.42	6.80	-51.78
COC1=CC=CC(C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(=O)[O-])=C1	REAL300003027251	0	44	0.0	-72.35	339.66	6.46	-65.89
COC1=CC=CC(C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(=O)[O-])=C1	REAL300003027251	1	44	0.0	-72.78	344.52	6.60	-66.18
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003027252	1	48	0.0	-64.43	388.05	8.46	-55.97
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC[N@@H+]1C	REAL300003027255	0	47	0.0	-73.31	358.75	6.96	-66.35
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC[N@H+]1C	REAL300003027255	1	47	0.0	-68.91	363.11	7.44	-61.47
COC1=CC=CC(C(NC(=O)C2C[N@H+](C)CC(C)O2)C(=O)[O-])=C1	REAL300003027265	1	45	0.0	-79.65	353.72	6.49	-73.16
COC1=CC=CC(C(NC(=O)C2C[N@@H+](C)CC(C)O2)C(=O)[O-])=C1	REAL300003027265	1	45	0.0	-76.20	360.43	6.52	-69.68
COC1=CC=CC(C(NC(=O)CN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300003027272	1	39	0.0	-59.13	330.88	6.92	-52.21
COC1=CC=CC(C(NC(=O)C(C)C[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300003027274	0	48	0.0	-68.72	373.39	5.99	-62.73
COC1=CC=CC(C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C(=O)[O-])=C1	REAL300003027275	0	55	0.0	-70.42	432.01	8.05	-62.37
COC1=CC=CC(C(NC(=O)C[NH+]2CCC(C)CC2)C(=O)[O-])=C1	REAL300003027290	0	47	0.0	-60.60	364.43	7.81	-52.79
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300003027303	1	45	0.0	-73.47	357.26	6.34	-67.13
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300003027303	1	45	0.0	-68.10	349.92	6.26	-61.84
COC1=CC=CC(C(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)C(=O)[O-])=C1	REAL300003027334	1	54	0.0	-78.64	423.90	8.81	-69.83
COC1=CC=CC(C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(=O)[O-])=C1	REAL300003027335	0	54	0.0	-66.72	407.34	9.25	-57.47
COC1=CC=CC(C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C(=O)[O-])=C1	REAL300003027335	1	54	0.0	-68.62	407.09	9.18	-59.44
COC1=CC=CC(C(NC(=O)CCC2CCC[N@@H+]2C)C(=O)[O-])=C1	REAL300003027342	0	47	0.0	-70.62	363.42	7.32	-63.30
COC1=CC=CC(C(NC(=O)CCC2CCC[N@H+]2C)C(=O)[O-])=C1	REAL300003027342	1	47	0.0	-73.11	365.06	7.64	-65.47
COC1=CC=CC(C(NC(=O)C2CCC3CCCC[N@@H+]32)C(=O)[O-])=C1	REAL300003027353	0	48	0.0	-57.15	369.90	8.23	-48.92
COC1=CC=CC(C(NC(=O)C2CCC3CCCC[N@H+]32)C(=O)[O-])=C1	REAL300003027353	1	48	0.0	-60.69	362.55	7.80	-52.89
COC1=CC=CC(C(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C(=O)[O-])=C1	REAL300003027365	0	56	0.0	-76.02	438.70	8.24	-67.78
COC1=CC=CC(C(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C(=O)[O-])=C1	REAL300003027366	0	56	0.0	-83.41	438.22	8.23	-75.18
COC1=CC=CC(C(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C(=O)[O-])=C1	REAL300003027366	1	56	0.0	-86.25	437.69	8.10	-78.15
COC1=CC=CC(C(NC(=O)C2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300003027375	0	50	0.0	-72.91	377.12	7.94	-64.97
COC1=CC=CC(C(NC(=O)C23CC[NH+](CC2)C3)C(=O)[O-])=C1	REAL300003027443	0	42	0.0	-72.60	333.47	5.84	-66.76
COC1=CC=CC(C(NC(=O)C23CC[N@H+](C2)CCC3)C(=O)[O-])=C1	REAL300003027452	0	45	0.0	-72.53	343.64	6.52	-66.01
COC1=CC=CC(C(NC(=O)C23CC[N@@H+](C2)CCC3)C(=O)[O-])=C1	REAL300003027452	1	45	0.0	-73.21	343.66	6.47	-66.74
COC1=CC=CC(C(NC(=O)C[NH+]2C(C)CCC2C)C(=O)[O-])=C1	REAL300003027491	0	47	0.0	-58.32	359.14	7.14	-51.18
COC1=CC=CC(C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C(=O)[O-])=C1	REAL300003027492	0	47	0.0	-78.72	380.23	8.75	-69.97
COC1=CC=CC(C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300003027493	0	54	0.0	-67.52	423.00	10.51	-57.01
COC1=CC=CC(C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300003027493	1	54	0.0	-66.40	422.92	10.51	-55.89
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300003027548	0	46	0.0	-75.99	371.15	8.14	-67.85
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300003027550	0	52	0.0	-76.28	400.22	5.88	-70.40
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300003027550	1	52	0.0	-67.75	400.67	5.91	-61.84
COC1=CC=CC(C(NC(=O)CCN2C=C[NH+]=C2C(C)C)C(=O)[O-])=C1	REAL300003027557	1	48	0.0	-62.91	387.30	8.48	-54.43
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1)C1CC1	REAL300003027563	0	44	0.0	-58.44	347.81	7.27	-51.17
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(OC)=C1)C1CC1	REAL300003027563	1	44	0.0	-58.72	348.23	7.31	-51.41
COC1=CC=CC(C(NC(=O)C(C)[NH+]2CCCCCC2)C(=O)[O-])=C1	REAL300003027590	0	50	0.0	-61.52	366.60	7.95	-53.57
COC1=CC=CC(C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C(=O)[O-])=C1	REAL300003027628	1	52	0.0	-86.09	414.78	9.26	-76.83
COC1=CC=CC(C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C(=O)[O-])=C1	REAL300003027628	1	52	0.0	-85.48	414.99	9.23	-76.25
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(OC)=C2)O1	REAL300003027667	0	50	0.0	-79.14	401.72	8.50	-70.64
COC1=CC=CC(C(NC(=O)CCCC[NH+]2CCCC2)C(=O)[O-])=C1	REAL300003027668	0	50	0.0	-74.07	392.79	8.61	-65.46
COC1=CC=CC(C(NC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)C(=O)[O-])=C1	REAL300003027670	1	53	0.0	-74.80	416.14	8.34	-66.46
COC1=CC=CC(C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003027671	1	47	0.0	-63.84	378.57	8.92	-54.92
COC1=CC=CC(C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003027671	1	47	0.0	-64.51	378.72	8.84	-55.67
COC1=CC=CC(C(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])=C1	REAL300003027696	1	42	0.0	-81.12	361.12	6.77	-74.35
COC1=CC=CC(C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C(=O)[O-])=C1	REAL300003027719	1	43	0.0	-83.35	360.21	6.22	-77.13
COC1=CC=CC(C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1	REAL300003027723	0	54	0.0	-70.63	419.04	10.12	-60.51
COC1=CC=CC(C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C(=O)[O-])=C1	REAL300003027723	1	54	0.0	-76.50	426.19	10.29	-66.21
COC1=CC=CC(C(NC(=O)C2CCC[N@@H+]2C(C)C)C(=O)[O-])=C1	REAL300003027738	0	47	0.0	-57.64	359.83	7.33	-50.31
COC1=CC=CC(C(NC(=O)C2CCC[N@H+]2C(C)C)C(=O)[O-])=C1	REAL300003027738	1	47	0.0	-58.65	363.35	7.50	-51.15
COC1=CC=CC(C(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300003027746	0	55	0.0	-86.29	444.33	9.80	-76.49
COC1=CC=CC(C(NC(=O)COC2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300003027759	0	48	0.0	-80.46	381.79	7.41	-73.05
COC1=CC=CC(C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(=O)[O-])=C1	REAL300003027764	0	51	0.0	-80.90	407.19	8.84	-72.06
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C[C@H]1CC[C@@](NC(=O)C2CCCC3CCC[N@@H+]32)(C(=O)[O-])CC1	REAL300003032564	0	50	0.0	-59.65	333.75	8.96	-50.69
C[C@H]1CC[C@@](NC(=O)C2CCCC3CCC[N@H+]32)(C(=O)[O-])CC1	REAL300003032564	1	50	0.0	-56.64	344.29	9.43	-47.21
C[C@H]1CC[C@@](NC(=O)C2=CN(CC[NH+](C)C)N=C2)(C(=O)[O-])CC1	REAL300003032566	0	49	0.0	-83.24	364.06	8.20	-75.04
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@@]3(C(=O)[O-])CC[C@H](C)CC3)CC2)=C1	REAL300003032569	0	61	0.0	-70.95	433.96	10.67	-60.28
C[C@H]1CC[C@@](NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])CC1	REAL300003032571	0	58	0.0	-71.35	412.55	10.00	-61.35
C[C@H]1CC[C@@](NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)(C(=O)[O-])CC1	REAL300003032573	0	55	0.0	-70.45	395.82	10.09	-60.36
C[C@H]1CC[C@@](NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)(C(=O)[O-])CC1	REAL300003032573	1	55	0.0	-68.80	386.17	10.12	-58.68
CC(C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003032578	1	53	0.0	-60.29	375.21	11.09	-49.20
CC(C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003032578	1	53	0.0	-61.36	374.83	11.14	-50.22
C[C@H]1CC[C@@](NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300003032601	0	56	0.0	-75.47	404.79	11.87	-63.60
C[C@H]1CC[C@@](NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300003032601	1	56	0.0	-75.06	404.57	11.86	-63.20
C[C@H]1CC[C@@](NC(=O)C2=NN(CC[NH+](C)C)C=C2)(C(=O)[O-])CC1	REAL300003032614	0	49	0.0	-90.47	364.43	8.22	-82.25
C[C@H]1CC[C@@](NC(=O)C2=CC=NN2CC[NH+](C)C)(C(=O)[O-])CC1	REAL300003032615	0	49	0.0	-54.47	359.43	8.05	-46.42
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300003032616	1	50	0.0	-63.63	365.72	9.80	-53.83
C[C@H]1CC[C@@](NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)(C(=O)[O-])CC1	REAL300003032629	0	56	0.0	-70.21	407.27	11.92	-58.29
C[C@H]1CC[C@@](NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)(C(=O)[O-])CC1	REAL300003032629	1	56	0.0	-70.40	407.24	11.92	-58.48
CC(C[NH+]1CCOCC1)C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300003032633	1	50	0.0	-68.37	351.05	7.39	-60.98
C[C@H]1CC[C@@](NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)(C(=O)[O-])CC1	REAL300003032634	0	57	0.0	-70.68	410.31	9.42	-61.26
C[C@H]1CC[C@@](NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)(C(=O)[O-])CC1	REAL300003032677	1	56	0.0	-79.03	401.55	10.25	-68.78
C[C@H]1CC[C@@](NC(=O)C2CC[N@@H+](C3CCCCC3)C2)(C(=O)[O-])CC1	REAL300003032678	0	56	0.0	-65.99	384.40	10.51	-55.48
C[C@H]1CC[C@@](NC(=O)C2CC[N@H+](C3CCCCC3)C2)(C(=O)[O-])CC1	REAL300003032678	1	56	0.0	-63.79	385.35	10.58	-53.21
C[C@H]1CC[C@@](NC(=O)C2CCC3CCCC[N@@H+]32)(C(=O)[O-])CC1	REAL300003032694	0	50	0.0	-56.79	340.53	8.99	-47.80
C[C@H]1CC[C@@](NC(=O)C2CCC3CCCC[N@H+]32)(C(=O)[O-])CC1	REAL300003032694	1	50	0.0	-62.45	340.48	9.01	-53.44
C[C@H]1CC[C@@](NC(=O)C2=CC(CN3CC[NH+](C)CC3)=CC=C2)(C(=O)[O-])CC1	REAL300003032708	0	58	0.0	-82.04	416.52	9.60	-72.44
C[C@H]1CC[C@@](NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)(C(=O)[O-])CC1	REAL300003032709	0	58	0.0	-86.20	416.51	9.61	-76.59
C[C@H]1CC[C@@](NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)(C(=O)[O-])CC1	REAL300003032709	1	58	0.0	-86.74	415.97	9.48	-77.26
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C=C1	REAL300003032710	0	59	0.0	-85.02	419.07	11.06	-73.96
CC(C)[NH+]1CCC(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300003032717	0	52	0.0	-72.07	358.64	9.52	-62.55
C[C@H]1CC[C@@](NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)(C(=O)[O-])CC1	REAL300003032806	0	60	0.0	-90.73	430.80	9.29	-81.44
C[C@H]1CC[C@@](NC(=O)C2=CC(C[NH+](C)C)=CC=C2)(C(=O)[O-])CC1	REAL300003032810	0	49	0.0	-76.54	357.89	10.18	-66.36
C[C@H]1CC[C@@](NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300003032811	0	56	0.0	-62.86	391.31	11.88	-50.98
C[C@H]1CC[C@@](NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])CC1	REAL300003032811	1	56	0.0	-66.10	400.80	11.85	-54.25
C#CC[NH+]1CCC(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)CC1	REAL300003032858	0	48	0.0	-75.71	349.02	9.48	-66.23
CC[NH+]1CCN(CCC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300003032861	0	54	0.0	-74.75	378.36	7.33	-67.42
CCN1CC[NH+](CCC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)CC1	REAL300003032861	1	54	0.0	-67.84	378.36	7.32	-60.52
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300003032868	1	50	0.0	-63.17	365.21	9.82	-53.35
CC(C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1)[NH+]1CCCCCC1	REAL300003032896	0	52	0.0	-58.97	349.83	9.07	-49.90
C[C@H]1CC[C@@](NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)(C(=O)[O-])CC1	REAL300003032927	1	54	0.0	-84.60	392.91	10.59	-74.01
C[C@H]1CC[C@@](NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)(C(=O)[O-])CC1	REAL300003032927	1	54	0.0	-85.17	392.72	10.61	-74.56
CC[NH+](CC)CC1=CC=C(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)O1	REAL300003032971	0	52	0.0	-81.95	375.58	9.60	-72.35
C[C@H]1CC[C@@](NC(=O)CCCC[NH+]2CCCC2)(C(=O)[O-])CC1	REAL300003032972	0	52	0.0	-74.37	370.06	9.92	-64.45
CC1=CC=C(N2CCC(C(=O)N[C@@]3(C(=O)[O-])CC[C@H](C)CC3)CC2)[NH+]=C1	REAL300003032974	1	55	0.0	-76.14	393.52	9.58	-66.56
C[C@H]1CC[C@@](NC(=O)C[N@H+](C)CC2=CC=CC=C2)(C(=O)[O-])CC1	REAL300003032975	1	49	0.0	-64.55	356.46	10.19	-54.36
C[C@H]1CC[C@@](NC(=O)C[N@@H+](C)CC2=CC=CC=C2)(C(=O)[O-])CC1	REAL300003032975	1	49	0.0	-64.02	356.42	10.19	-53.83
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@]3(C(=O)[O-])CC[C@@H](C)CC3)C=C2)CC1	REAL300003032979	0	61	0.0	-88.29	425.91	10.56	-77.73
C[C@H]1CC[C@@](NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)(C(=O)[O-])CC1	REAL300003032991	1	44	0.0	-80.57	339.05	8.15	-72.42
C[C@H]1CC[C@@](NC(=O)C2=NOC(C[NH+](C)C)=C2)(C(=O)[O-])CC1	REAL300003033013	1	45	0.0	-81.77	337.82	7.68	-74.09
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300003033018	0	56	0.0	-72.13	404.48	11.72	-60.41
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)CC1	REAL300003033018	1	56	0.0	-67.80	395.45	11.49	-56.31
C[C@H]1CC[C@@](NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)(C(=O)[O-])CC1	REAL300003033041	0	57	0.0	-86.95	422.22	11.16	-75.79
C[C@H]1CC[C@@](NC(=O)COC2CC[NH+](C)CC2)(C(=O)[O-])CC1	REAL300003033053	0	50	0.0	-81.27	359.68	8.40	-72.87
C[C@H]1CC[C@@](NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)(C(=O)[O-])CC1	REAL300003033059	0	53	0.0	-82.50	385.86	10.40	-72.10
CCC[N@@H+]1CCCC(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300003033197	0	52	0.0	-59.74	353.89	9.71	-50.03
CCC[N@H+]1CCCC(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300003033197	1	52	0.0	-53.85	354.40	9.72	-44.13
C[C@H]1CC[C@@](NC(=O)C[NH+]2CCC(CO)CC2)(C(=O)[O-])CC1	REAL300003033226	1	50	0.0	-61.21	353.19	5.77	-55.44
CC(C)[N@@H+]1CCCC(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300003033396	0	52	0.0	-53.51	349.56	9.50	-44.01
CC(C)[N@H+]1CCCC(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300003033396	1	52	0.0	-65.83	358.66	9.45	-56.38
C[C@H]1CC[C@@](NC(=O)C2C[N@H+](C)CC2C(F)(F)F)(C(=O)[O-])CC1	REAL300003033397	0	46	0.0	-80.70	337.01	8.08	-72.62
C[C@H]1CC[C@@](NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)(C(=O)[O-])CC1	REAL300003033397	1	46	0.0	-72.47	325.73	8.20	-64.27
CC1=C(C)[NH+]=C(CCC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)N1	REAL300003033420	1	47	0.0	-63.65	349.98	7.95	-55.70
C[C@H]1CC[C@@](NC(=O)C2=CC(CC[NH+](C)C)=CC=C2)(C(=O)[O-])CC1	REAL300003033802	0	52	0.0	-79.88	380.38	11.01	-68.87
C[C@H]1CC[C@@](NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)(C(=O)[O-])CC1	REAL300003033809	0	53	0.0	-87.01	387.68	9.97	-77.04
C[C@H]1CC[C@@](NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])CC1	REAL300003033892	0	59	0.0	-73.23	419.12	12.48	-60.75
C[C@H]1CC[C@@](NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)(C(=O)[O-])CC1	REAL300003033894	1	57	0.0	-89.27	405.25	10.35	-78.92
C[C@H]1CC[C@@](NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)(C(=O)[O-])CC1	REAL300003033894	1	57	0.0	-89.35	405.25	10.35	-79.00
C[C@H]1CC[C@@](NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)(C(=O)[O-])CC1	REAL300003033920	0	52	0.0	-54.26	348.67	9.16	-45.10
CC1=[NH+]C=C2C=CC(C(=O)N[C@@]3(C(=O)[O-])CC[C@H](C)CC3)=CN21	REAL300003033925	0	44	0.0	-69.15	331.32	9.96	-59.19
CC(C)C[N@@H+]1CCCC(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300003033973	0	55	0.0	-55.03	371.86	10.42	-44.61
CC(C)C[N@H+]1CCCC(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)CC2)C1	REAL300003033973	1	55	0.0	-60.44	371.40	10.39	-50.05
C[C@H]1CC[C@@](NC(=O)C2=CC=C(C[NH+](C)C)O2)(C(=O)[O-])CC1	REAL300003033979	1	46	0.0	-84.18	343.20	8.42	-75.76
C[C@H]1CC[C@@](NC(=O)C23CC(C2)C[N@@H+]3C2CC2)(C(=O)[O-])CC1	REAL300003033987	1	48	0.0	-65.94	336.49	9.31	-56.63
C[C@H]1CC[C@@](NC(=O)C23CC(C2)C[N@H+]3C2CC2)(C(=O)[O-])CC1	REAL300003033987	1	48	0.0	-65.32	330.31	9.59	-55.73
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300003035122	0	56	0.0	-75.47	431.74	11.61	-63.86
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300003035775	1	53	0.0	-66.84	416.23	11.09	-55.75
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300003035775	1	53	0.0	-65.53	414.84	11.03	-54.50
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=N1	REAL300003036682	0	50	0.0	-69.27	380.10	9.25	-60.02
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+]2C2CC2)=N1	REAL300003036709	1	47	0.0	-61.34	368.34	9.17	-52.17
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+]2C2CC2)=N1	REAL300003036709	1	47	0.0	-59.98	359.09	8.63	-51.35
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)=N1	REAL300003036715	1	48	0.0	-62.15	378.31	9.11	-53.04
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=N1	REAL300003036716	0	56	0.0	-66.42	426.07	11.07	-55.35
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCCC[N@@H+]2C)=N1	REAL300003036798	1	46	0.0	-63.68	352.91	7.98	-55.70
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCCC[N@H+]2C)=N1	REAL300003036798	1	46	0.0	-65.74	343.58	7.79	-57.95
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C)N2CC[NH+](C)CC2)=N1	REAL300003036799	1	51	0.0	-68.44	384.23	6.46	-61.98
CCCC(C(=O)[O-])N1C=CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)=N1	REAL300003036843	1	46	0.0	-65.87	343.33	7.80	-58.07
CCCC(C(=O)[O-])N1C=CC(NC(=O)[C@@H]2CCCC[N@H+]2C)=N1	REAL300003036843	1	46	0.0	-62.84	352.88	7.98	-54.86
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300003036901	0	59	0.0	-62.46	440.41	11.87	-50.59
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CC[NH+](C)CC2)=N1	REAL300003036934	0	46	0.0	-72.88	355.53	8.05	-64.83
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=N1	REAL300003036960	0	41	0.0	-69.43	341.10	9.88	-59.55
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2(C[NH+](C)C)CCCCC2)=N1	REAL300003036993	0	55	0.0	-66.62	395.34	9.97	-56.65
CCCC(C(=O)[O-])N1C=CC(NC(=O)CC[N@H+](C)C2CCCCC2)=N1	REAL300003036998	0	55	0.0	-68.85	405.12	9.83	-59.02
CCCC(C(=O)[O-])N1C=CC(NC(=O)CC[N@@H+](C)C2CCCCC2)=N1	REAL300003036998	1	55	0.0	-71.01	409.38	9.99	-61.02
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CC[NH+](C)CC2)=N1	REAL300003037069	0	46	0.0	-72.88	355.53	8.05	-64.83
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=N1	REAL300003037074	0	49	0.0	-72.96	400.17	9.02	-63.94
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=N1	REAL300003037097	0	56	0.0	-62.05	403.56	10.56	-51.49
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=N1	REAL300003037097	1	56	0.0	-60.54	399.30	10.15	-50.39
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=N1	REAL300003037098	0	57	0.0	-63.19	416.17	8.53	-54.66
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCCN2C=C[NH+]=C2C)=N1	REAL300003037131	1	47	0.0	-66.97	381.92	9.29	-57.68
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCCC[NH+]2CCOCC2)=N1	REAL300003037132	1	53	0.0	-73.33	408.95	7.97	-65.36
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C[N@H+](CC)C(C)C)C=C2)=N1	REAL300003037135	0	58	0.0	-72.59	428.15	11.06	-61.53
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C[N@@H+](CC)C(C)C)C=C2)=N1	REAL300003037135	1	58	0.0	-71.30	429.78	11.19	-60.11
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300003037184	0	53	0.0	-71.47	414.49	10.78	-60.69
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300003037184	1	53	0.0	-70.61	415.79	10.84	-59.77
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=N1	REAL300003037185	0	54	0.0	-76.17	410.46	10.02	-66.15
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)=N1	REAL300003037211	1	58	0.0	-66.70	447.38	9.81	-56.89
CCCC(C(=O)[O-])N1C=CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=N1	REAL300003037212	0	57	0.0	-70.18	407.41	8.23	-61.95
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(CC)[NH+](CC)CC)=N1	REAL300003037216	0	51	0.0	-59.28	374.15	8.83	-50.45
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=N1	REAL300003037218	1	52	0.0	-67.84	405.59	10.38	-57.46
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=N1	REAL300003037218	1	52	0.0	-65.87	401.44	10.22	-55.65
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=N1	REAL300003037230	0	59	0.0	-62.90	444.06	12.49	-50.41
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=N1	REAL300003037230	1	59	0.0	-63.67	444.05	12.50	-51.17
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)=N1	REAL300003037252	0	48	0.0	-72.06	380.62	7.88	-64.18
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCC[NH+](CCC)CCC)=N1	REAL300003037261	0	57	0.0	-70.60	429.03	10.30	-60.30
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C2=CC=CC=C2)[N@H+](C)CC)=N1	REAL300003037262	1	52	0.0	-60.72	399.89	10.35	-50.37
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C2=CC=CC=C2)[N@@H+](C)CC)=N1	REAL300003037262	1	52	0.0	-65.32	398.32	10.32	-55.00
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C2=CC=CC=C2)[NH+](CC)CC)=N1	REAL300003037267	0	55	0.0	-63.77	410.32	10.81	-52.96
CCCC(C(=O)[O-])N1C=CC(NC(=O)CN2C=C[NH+]=C2C(C)C)=N1	REAL300003037276	1	47	0.0	-61.97	376.31	9.12	-52.85
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=N1	REAL300003037294	0	53	0.0	-75.68	413.62	11.03	-64.65
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=N1	REAL300003037302	0	56	0.0	-71.06	430.64	11.73	-59.33
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2(C[NH+](C)C)CC2)=N1	REAL300003037308	0	46	0.0	-67.07	363.40	8.15	-58.92
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCCC[NH+](C)C)=N1	REAL300003037317	0	48	0.0	-71.93	376.31	8.51	-63.42
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C(C)C)[NH+](C)C)=N1	REAL300003037326	0	48	0.0	-64.83	358.46	8.03	-56.80
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300003037339	1	56	0.0	-64.19	429.59	11.52	-52.67
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300003037339	1	56	0.0	-64.17	419.88	11.35	-52.82
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=N1	REAL300003037349	0	56	0.0	-76.72	430.63	11.74	-64.98
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=N1	REAL300003037363	1	49	0.0	-73.11	390.05	8.34	-64.77
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=N1	REAL300003037364	0	52	0.0	-77.77	411.30	10.72	-67.05
CCCC(C(=O)[O-])N1C=CC(NC(=O)C[N@H+](C)C2CCC2)=N1	REAL300003037409	0	46	0.0	-65.87	357.20	8.39	-57.48
CCCC(C(=O)[O-])N1C=CC(NC(=O)C[N@@H+](C)C2CCC2)=N1	REAL300003037409	1	46	0.0	-62.89	352.76	8.23	-54.66
CCCC(C(=O)[O-])N1C=CC(NC(=O)C[N@H+](C)CC(C)(C)C)=N1	REAL300003037439	0	51	0.0	-64.89	376.45	8.80	-56.09
CCCC(C(=O)[O-])N1C=CC(NC(=O)C[N@@H+](C)CC(C)(C)C)=N1	REAL300003037439	1	51	0.0	-67.49	380.59	8.88	-58.61
CCCC(C(=O)[O-])N1C=CC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)=N1	REAL300003037441	1	52	0.0	-71.80	410.10	10.84	-60.96
CCCC(C(=O)[O-])N1C=CC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=N1	REAL300003037441	1	52	0.0	-71.71	410.10	10.83	-60.88
CCCC(C(=O)[O-])N1C=CC(NC(=O)CC[N@H+](C)CCOCCOC)=N1	REAL300003037442	0	56	0.0	-69.79	434.88	6.87	-62.92
CCCC(C(=O)[O-])N1C=CC(NC(=O)CC[N@@H+](C)CCOCCOC)=N1	REAL300003037442	1	56	0.0	-70.94	439.13	7.00	-63.94
CCCC(C(=O)[O-])N1C=CC(NC(=O)CC2(O)CCC[N@H+](C)C2)=N1	REAL300003037447	0	50	0.0	-64.73	381.25	6.62	-58.11
CCCC(C(=O)[O-])N1C=CC(NC(=O)CC2(O)CCC[N@@H+](C)C2)=N1	REAL300003037447	1	50	0.0	-62.91	367.29	6.29	-56.62
CCCCCC[N@H+](C)CC(=O)NC1=NN(C(CCC)C(=O)[O-])C=C1	REAL300003037471	0	54	0.0	-69.24	414.67	10.14	-59.10
CCCCCC[N@@H+](C)CC(=O)NC1=NN(C(CCC)C(=O)[O-])C=C1	REAL300003037471	1	54	0.0	-69.21	414.67	10.14	-59.07
CCCC(C(=O)[O-])N1C=CC(NC(=O)C23CCC[NH+]2CCC3)=N1	REAL300003037481	0	47	0.0	-65.21	355.53	8.34	-56.87
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=N1	REAL300003037489	1	41	0.0	-73.36	341.32	10.16	-63.20
CCCC(C(=O)[O-])N1C=CC(NC(=O)C[N@H+](C)C2CCSC2)=N1	REAL300003037505	1	47	0.0	-69.49	365.98	8.50	-60.99
CCCC(C(=O)[O-])N1C=CC(NC(=O)C[N@@H+](C)C2CCSC2)=N1	REAL300003037505	1	47	0.0	-73.29	370.44	8.62	-64.67
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCN2CC[NH+](C(C)C)CC2)=N1	REAL300003037522	0	57	0.0	-67.14	416.91	7.03	-60.11
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)=N1	REAL300003037523	0	60	0.0	-67.23	447.81	8.37	-58.86
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)=N1	REAL300003037523	1	60	0.0	-71.45	444.62	8.19	-63.26
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCCC3CCC[N@@H+]32)=N1	REAL300003037524	0	50	0.0	-63.81	368.41	9.18	-54.63
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCCC3CCC[N@H+]32)=N1	REAL300003037524	1	50	0.0	-62.25	363.40	8.81	-53.44
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CN(CC[NH+](C)C)N=C2)=N1	REAL300003037526	0	49	0.0	-75.05	390.96	7.75	-67.30
CCCC(C(=O)[O-])N1C=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=N1	REAL300003037535	0	58	0.0	-74.79	443.48	9.72	-65.07
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=N1	REAL300003037538	0	55	0.0	-70.14	422.66	9.57	-60.57
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=N1	REAL300003037538	1	55	0.0	-70.54	422.62	9.57	-60.97
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(CCC)[NH+](C)C)=N1	REAL300003037564	0	48	0.0	-64.11	362.70	8.15	-55.96
CCCC(C(=O)[O-])N1C=CC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300003037566	0	56	0.0	-73.33	434.15	11.79	-61.54
CCCC(C(=O)[O-])N1C=CC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300003037566	1	56	0.0	-74.68	435.47	11.60	-63.08
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=NN(CC[NH+](C)C)C=C2)=N1	REAL300003037581	0	49	0.0	-80.17	395.60	7.90	-72.27
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=NN2CC[NH+](C)C)=N1	REAL300003037582	0	49	0.0	-61.32	390.29	8.11	-53.21
CCCC(C(=O)[O-])N1C=CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)=N1	REAL300003037588	0	46	0.0	-71.93	347.84	7.61	-64.32
CCCC(C(=O)[O-])N1C=CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)=N1	REAL300003037588	1	46	0.0	-68.92	353.68	7.98	-60.94
CCCC(C(=O)[O-])N1C=CC(NC(=O)CC(C)N2C=C[NH+]=C2CC)=N1	REAL300003037590	1	50	0.0	-63.44	396.92	9.60	-53.84
CCCC(C(=O)[O-])N1C=CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)=N1	REAL300003037593	0	49	0.0	-67.69	363.30	7.94	-59.75
CCCC(C(=O)[O-])N1C=CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)=N1	REAL300003037593	1	49	0.0	-67.64	371.95	8.60	-59.04
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)=N1	REAL300003037596	1	50	0.0	-75.38	391.13	7.10	-68.28
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)=N1	REAL300003037596	1	50	0.0	-74.93	396.68	7.72	-67.21
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2C[N@H+](C)CC(C)O2)=N1	REAL300003037605	1	47	0.0	-77.02	369.51	7.48	-69.54
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2C[N@@H+](C)CC(C)O2)=N1	REAL300003037605	1	47	0.0	-76.51	362.78	7.46	-69.05
CCCC(C(=O)[O-])N1C=CC(NC(=O)CN2C=C[NH+]=C2C)=N1	REAL300003037615	1	41	0.0	-63.66	340.40	8.01	-55.65
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C)C[NH+]2CCOCC2)=N1	REAL300003037617	1	50	0.0	-68.28	377.97	6.97	-61.31
CCCC(C(=O)[O-])N1C=CC(NC(=O)C[NH+]2CCC(C)CC2)=N1	REAL300003037632	1	49	0.0	-68.45	373.92	8.89	-59.56
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2C[N@H+](CC)CCO2)=N1	REAL300003037645	1	47	0.0	-73.14	361.81	7.25	-65.89
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2C[N@@H+](CC)CCO2)=N1	REAL300003037645	1	47	0.0	-75.39	366.10	7.39	-68.00
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=N1	REAL300003037684	0	56	0.0	-67.66	411.97	10.10	-57.56
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)=N1	REAL300003037684	1	56	0.0	-68.11	416.47	10.31	-57.80
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCC2CCC[N@@H+]2C)=N1	REAL300003037691	0	49	0.0	-68.65	372.88	8.40	-60.25
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCC2CCC[N@H+]2C)=N1	REAL300003037691	1	49	0.0	-71.41	378.32	8.88	-62.53
CCCC(C(=O)[O-])N1C=CC(NC(=O)C23CCC[NH+](CCC2)C3)=N1	REAL300003037704	0	50	0.0	-69.67	368.34	8.57	-61.10
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2(C)CC(O)C[N@@H+]2C)=N1	REAL300003037706	1	47	0.0	-66.66	353.10	4.39	-62.27
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2(C)CC(O)C[N@H+]2C)=N1	REAL300003037706	1	47	0.0	-65.30	358.78	4.56	-60.74
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC3CCCC[N@@H+]32)=N1	REAL300003037707	0	50	0.0	-63.79	371.74	8.86	-54.93
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC3CCCC[N@H+]32)=N1	REAL300003037707	1	50	0.0	-63.03	371.66	8.87	-54.16
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C)(C)C[NH+]2CCOCC2)=N1	REAL300003037714	0	53	0.0	-64.97	391.48	7.47	-57.50
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)=N1	REAL300003037719	0	56	0.0	-75.23	426.49	8.96	-66.27
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)=N1	REAL300003037719	1	56	0.0	-77.69	423.02	8.61	-69.08
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)=N1	REAL300003037723	0	58	0.0	-68.21	447.75	9.30	-58.91
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)=N1	REAL300003037724	0	58	0.0	-73.16	447.70	9.32	-63.84
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)=N1	REAL300003037724	1	58	0.0	-75.62	442.88	9.04	-66.58
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CC[NH+](C(C)C)CC2)=N1	REAL300003037733	0	52	0.0	-70.14	389.84	9.24	-60.90
CCCC(C(=O)[O-])N1C=CC(NC(=O)C23CC[NH+](CC2)C3)=N1	REAL300003037814	0	44	0.0	-70.89	342.46	6.93	-63.96
CCCC(C(=O)[O-])N1C=CC(NC(=O)C23CC[N@H+](C2)CCC3)=N1	REAL300003037824	0	47	0.0	-67.85	348.41	7.47	-60.38
CCCC(C(=O)[O-])N1C=CC(NC(=O)C23CC[N@@H+](C2)CCC3)=N1	REAL300003037824	1	47	0.0	-73.71	351.81	7.70	-66.01
CCCC(C(=O)[O-])N1C=CC(NC(=O)C[NH+]2C(C)CCC2C)=N1	REAL300003037873	0	49	0.0	-64.07	368.88	8.43	-55.64
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)=N1	REAL300003037874	0	49	0.0	-72.51	389.09	9.87	-62.64
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300003037875	0	56	0.0	-67.24	425.82	11.77	-55.47
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300003037875	1	56	0.0	-67.14	425.79	11.77	-55.37
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2([NH+](C)C)CCC2)=N1	REAL300003037915	0	46	0.0	-62.89	345.09	7.89	-55.00
C#CC[NH+]1CCC(C(=O)NC2=NN(C(CCC)C(=O)[O-])C=C2)CC1	REAL300003037948	0	48	0.0	-73.81	380.20	9.20	-64.61
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCCC[N@@H+]2CCC)=N1	REAL300003037950	0	52	0.0	-60.52	387.95	9.22	-51.30
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCCC[N@H+]2CCC)=N1	REAL300003037950	1	52	0.0	-64.37	382.67	9.43	-54.94
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=CC=C2C[NH+](C)C)=N1	REAL300003037951	0	49	0.0	-58.03	381.78	10.10	-47.93
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCN2CC[NH+](CC)CC2)=N1	REAL300003037953	0	54	0.0	-70.35	409.06	7.00	-63.35
CCCC(C(=O)[O-])N1C=CC(NC(=O)CC[NH+]2CCN(CC)CC2)=N1	REAL300003037953	1	54	0.0	-71.04	409.57	7.04	-64.00
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C(C)C)[NH+]2CCCCC2)=N1	REAL300003037955	0	55	0.0	-62.93	402.70	10.19	-52.74
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)=N1	REAL300003037956	1	49	0.0	-60.71	381.32	9.73	-50.98
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300003037960	0	54	0.0	-66.20	425.56	8.06	-58.14
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300003037960	1	54	0.0	-67.19	424.29	8.09	-59.10
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCN2C=C[NH+]=C2C(C)C)=N1	REAL300003037966	1	50	0.0	-63.15	396.35	9.54	-53.61
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)=N1	REAL300003037967	0	52	0.0	-62.44	410.15	10.22	-52.22
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=N1	REAL300003037972	0	53	0.0	-66.62	387.65	9.45	-57.17
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+]2C2CCCC2)=N1	REAL300003037972	1	53	0.0	-66.03	389.41	9.85	-56.18
CCCC(C(=O)[O-])N1C=CC(NC(=O)C[N@H+](CC)C2CC2)=N1	REAL300003037974	1	46	0.0	-61.05	351.46	8.00	-53.05
CCCC(C(=O)[O-])N1C=CC(NC(=O)C[N@@H+](CC)C2CC2)=N1	REAL300003037974	1	46	0.0	-63.28	359.87	8.43	-54.85
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C)[NH+]2CCCCCC2)=N1	REAL300003038004	0	52	0.0	-62.34	379.70	8.83	-53.51
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)=N1	REAL300003038046	1	54	0.0	-76.30	423.87	10.32	-65.98
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)=N1	REAL300003038046	1	54	0.0	-76.06	424.08	10.29	-65.77
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C[NH+](CC)CC)O2)=N1	REAL300003038097	0	52	0.0	-72.86	406.73	9.30	-63.56
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCCC[NH+]2CCCC2)=N1	REAL300003038098	0	52	0.0	-70.49	402.29	9.71	-60.78
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)=N1	REAL300003038100	1	55	0.0	-67.71	424.98	9.46	-58.25
CCCC(C(=O)[O-])N1C=CC(NC(=O)C[N@H+](C)CC2=CC=CC=C2)=N1	REAL300003038101	1	49	0.0	-69.75	383.37	9.84	-59.91
CCCC(C(=O)[O-])N1C=CC(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)=N1	REAL300003038101	1	49	0.0	-72.50	387.60	9.98	-62.52
CCCC(C(=O)[O-])N1C=CC(NC(=O)[C@H](C(C)C)[NH+](C)C)=N1	REAL300003038112	0	48	0.0	-62.88	357.11	8.44	-54.44
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=NOC(C[NH+](C)C)=C2)=N1	REAL300003038160	1	45	0.0	-75.95	370.00	7.67	-68.28
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)=N1	REAL300003038164	0	56	0.0	-71.56	436.84	11.48	-60.08
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)=N1	REAL300003038164	1	56	0.0	-72.51	432.21	11.34	-61.17
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+]2C(C)C)=N1	REAL300003038180	0	49	0.0	-64.63	363.32	8.38	-56.25
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+]2C(C)C)=N1	REAL300003038180	1	49	0.0	-60.27	365.75	8.35	-51.92
CCCC(C(=O)[O-])N1C=CC(NC(=O)COC2CC[NH+](C)CC2)=N1	REAL300003038206	0	50	0.0	-74.48	390.63	8.38	-66.10
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=N1	REAL300003038211	0	53	0.0	-73.49	415.99	9.98	-63.51
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+](CCC)C2)=N1	REAL300003038405	0	52	0.0	-68.08	394.65	9.40	-58.68
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+](CCC)C2)=N1	REAL300003038405	1	52	0.0	-66.03	390.41	9.26	-56.77
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+]2CC(C)C)=N1	REAL300003038437	0	52	0.0	-66.25	385.14	9.52	-56.73
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+]2CC(C)C)=N1	REAL300003038437	1	52	0.0	-66.22	385.56	9.46	-56.76
CCCC(C(=O)[O-])N1C=CC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=N1	REAL300003038545	0	57	0.0	-68.65	435.54	11.72	-56.93
CCCC(C(=O)[O-])N1C=CC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=N1	REAL300003038545	1	57	0.0	-72.95	437.69	11.72	-61.23
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+](C(C)C)C2)=N1	REAL300003038676	0	52	0.0	-61.37	383.58	9.38	-51.99
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+](C(C)C)C2)=N1	REAL300003038676	1	52	0.0	-61.81	383.59	9.38	-52.43
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)=N1	REAL300003038677	0	46	0.0	-78.85	366.24	8.27	-70.58
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)=N1	REAL300003038677	1	46	0.0	-76.77	365.39	8.05	-68.72
CCCC(C(=O)[O-])N1C=CC(NC(=O)CCC2=[NH+]C(C)=C(C)N2)=N1	REAL300003038703	1	47	0.0	-64.33	381.20	7.68	-56.65
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)=N1	REAL300003039200	0	52	0.0	-73.42	411.58	10.72	-62.70
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)=N1	REAL300003039207	0	53	0.0	-73.30	414.58	9.54	-63.76
CCCC(C(=O)[O-])N1C=CC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300003039304	0	59	0.0	-66.42	446.43	12.19	-54.23
CCCC(C(=O)[O-])N1C=CC(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)=N1	REAL300003039350	0	46	0.0	-68.09	360.49	8.36	-59.73
CCCC(C(=O)[O-])N1C=CC(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=N1	REAL300003039354	0	52	0.0	-60.29	378.96	8.95	-51.34
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CN3C(=C[NH+]=C3C)C=C2)=N1	REAL300003039358	0	44	0.0	-65.25	362.51	9.67	-55.58
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+](CC(C)C)C2)=N1	REAL300003039424	0	55	0.0	-62.95	405.88	10.29	-52.66
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+](CC(C)C)C2)=N1	REAL300003039424	1	55	0.0	-67.60	412.12	10.08	-57.52
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+](CC)C2)=N1	REAL300003039425	0	49	0.0	-59.59	362.66	8.72	-50.87
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+](CC)C2)=N1	REAL300003039425	1	49	0.0	-59.97	362.65	8.72	-51.25
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+](C)C2)=N1	REAL300003039429	0	46	0.0	-61.84	349.26	8.46	-53.38
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+](C)C2)=N1	REAL300003039429	1	46	0.0	-61.27	349.26	8.46	-52.81
CCCC(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C[NH+](C)C)O2)=N1	REAL300003039431	1	46	0.0	-74.13	374.37	8.35	-65.78
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)=N1	REAL300003039437	0	55	0.0	-72.13	400.95	9.50	-62.63
CCCC(C(=O)[O-])N1C=CC(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)=N1	REAL300003039437	1	55	0.0	-71.58	400.89	9.75	-61.83
CCCC(C(=O)[O-])N1C=CC(NC(=O)C23CC(C2)CN3C2CC2)=N1	REAL300003039440	0	48	0.0	-65.18	367.94	9.68	-55.50
CCCC(C(=O)[O-])N1C=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=N1	REAL300003039440	1	48	0.0	-64.19	367.90	9.01	-55.18
CCCC(C(=O)[O-])N1C=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=N1	REAL300003039440	1	48	0.0	-65.18	367.94	9.68	-55.50
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=NC=CC(C(F)(F)F)=N2)C1	REAL300003039507	1	48	0.0	-54.04	383.28	8.54	-45.50
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(C2)SC(C2=CC=CC=C2)=N3)C1	REAL300003039616	1	50	0.0	-51.25	398.80	10.66	-40.59
CC(C)(CC1=CC=C2CCCCC2=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003039765	0	59	0.0	-48.42	425.29	11.60	-36.82
CC(C)(CC1=CC=C2CCCCC2=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003039765	1	59	0.0	-49.08	425.86	11.61	-37.47
O=C([O-])C1CCC[N@@H+](CC(=O)NCCOC2CC2(F)F)C1	REAL300003039953	1	41	0.0	-49.89	335.39	5.43	-44.46
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(OC3CC3)=C2F)C1	REAL300003040075	0	48	0.0	-50.80	382.63	8.41	-42.39
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC(OC3CC3)=C2F)C1	REAL300003040075	1	48	0.0	-51.77	376.43	8.40	-43.37
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C3OC=CC3=C2)C1	REAL300003040176	0	43	0.0	-51.54	344.09	7.76	-43.78
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C3OC=CC3=C2)C1	REAL300003040176	1	43	0.0	-49.83	337.88	7.74	-42.09
CC1(C)CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC(C)(C)C1	REAL300003040290	0	58	0.0	-47.21	409.35	9.72	-37.49
CC1(C)CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC(C)(C)C1	REAL300003040290	1	58	0.0	-47.86	409.91	9.72	-38.14
CC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300003040488	0	49	0.0	-49.85	370.41	9.37	-40.48
CC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300003040488	1	49	0.0	-46.56	368.50	8.93	-37.63
C[C@H](COC1=C(F)C=CC=C1F)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003040608	0	47	0.0	-47.92	381.29	8.20	-39.72
C[C@H](COC1=C(F)C=CC=C1F)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003040608	1	47	0.0	-48.38	382.46	8.23	-40.15
C[C@@H](COC1=C(F)C=CC=C1F)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003040739	0	47	0.0	-47.62	381.29	8.20	-39.42
C[C@@H](COC1=C(F)C=CC=C1F)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003040739	1	47	0.0	-48.62	382.46	8.23	-40.39
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3CCCCC3)C2)C1	REAL300003040859	0	53	0.0	-46.45	383.01	10.51	-35.94
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3CCCCC3)C2)C1	REAL300003040859	1	53	0.0	-46.81	376.27	10.48	-36.33
CN(C)S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003040981	0	50	0.0	-56.07	383.23	4.43	-51.64
CN(C)S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003040981	1	50	0.0	-54.28	377.82	4.53	-49.75
O=C([O-])C1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C2CCCCC12	REAL300003041994	0	60	0.0	-76.22	426.68	12.92	-63.30
O=C([O-])C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C2CCCCC12	REAL300003043245	0	54	0.0	-69.30	375.54	10.64	-58.66
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C(=O)[O-])C4CCCCC43)CN12	REAL300003043271	1	52	0.0	-62.00	370.67	10.37	-51.63
CC(C(=O)N1CCC(C(=O)[O-])C2CCCCC21)N1CC[NH+](C)CC1	REAL300003043338	1	55	0.0	-67.39	372.01	7.49	-59.90
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)[O-])C2CCCCC21	REAL300003043372	0	50	0.0	-55.45	337.98	9.12	-46.33
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)[O-])C2CCCCC21	REAL300003043372	1	50	0.0	-65.47	336.78	8.97	-56.50
C[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)CC1	REAL300003043444	0	50	0.0	-72.41	350.48	9.42	-62.99
O=C([O-])C1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C2CCCCC12	REAL300003043469	0	45	0.0	-66.46	341.66	11.25	-55.21
C[NH+](C)CC1(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)CCCCC1	REAL300003043497	0	59	0.0	-60.44	375.11	10.66	-49.78
C[N@H+](CCC(=O)N1CCC(C(=O)[O-])C2CCCCC21)C1CCCCC1	REAL300003043501	0	59	0.0	-68.61	401.76	11.40	-57.21
C[N@@H+](CCC(=O)N1CCC(C(=O)[O-])C2CCCCC21)C1CCCCC1	REAL300003043501	1	59	0.0	-68.01	401.75	11.40	-56.61
C[NH+]1CCC(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)CC1	REAL300003043559	0	50	0.0	-72.41	350.48	9.42	-62.99
O=C([O-])C1CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C2CCCCC12	REAL300003043562	0	53	0.0	-67.33	386.51	9.89	-57.44
O=C([O-])C1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C2CCCCC12	REAL300003043577	0	61	0.0	-74.28	418.05	10.00	-64.28
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C(=O)[O-])C2CCCCC21	REAL300003043606	1	51	0.0	-65.23	374.24	10.73	-54.50
O=C([O-])C1CCN(C(=O)CCCC[NH+]2CCOCC2)C2CCCCC12	REAL300003043607	1	57	0.0	-75.33	405.03	9.51	-65.82
CC[N@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)C=C1)C(C)C	REAL300003043609	0	62	0.0	-70.75	418.23	12.16	-58.59
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)C=C1)C(C)C	REAL300003043609	1	62	0.0	-73.53	413.33	12.10	-61.43
O=C([O-])C1CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C2CCCCC12	REAL300003043646	0	57	0.0	-68.23	403.19	12.04	-56.19
O=C([O-])C1CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C2CCCCC12	REAL300003043646	1	57	0.0	-71.43	408.83	12.21	-59.22
O=C([O-])C1CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C2CCCCC12	REAL300003043647	0	58	0.0	-76.25	406.20	11.42	-64.83
O=C([O-])C1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C2CCCCC12	REAL300003043673	0	61	0.0	-69.48	400.56	9.68	-59.80
CCC(C(=O)N1CCC(C(=O)[O-])C2CCCCC21)[NH+](CC)CC	REAL300003043677	0	55	0.0	-63.91	364.34	10.19	-53.72
CC(C(=O)N1CCC(C(=O)[O-])C2CCCCC21)[N@H+](C)CC1=CC=CC=C1	REAL300003043679	0	56	0.0	-65.34	399.09	11.78	-53.56
CC(C(=O)N1CCC(C(=O)[O-])C2CCCCC21)[N@@H+](C)CC1=CC=CC=C1	REAL300003043679	1	56	0.0	-62.10	390.81	11.51	-50.59
O=C([O-])C1CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C2CCCCC12	REAL300003043688	0	63	0.0	-66.28	441.95	13.97	-52.31
O=C([O-])C1CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C2CCCCC12	REAL300003043688	1	63	0.0	-68.39	440.95	13.97	-54.42
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)C=N1	REAL300003043701	0	52	0.0	-70.97	369.55	9.15	-61.82
CCC[NH+](CCC)CCCC(=O)N1CCC(C(=O)[O-])C2CCCCC21	REAL300003043707	0	61	0.0	-72.43	424.85	11.84	-60.59
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C(=O)[O-])C2CCCCC21	REAL300003043717	1	51	0.0	-56.92	363.96	10.32	-46.60
O=C([O-])C1CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C2CCCCC12	REAL300003043732	0	57	0.0	-74.21	398.00	11.87	-62.34
O=C([O-])C1CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C2CCCCC12	REAL300003043738	0	60	0.0	-70.31	417.95	12.66	-57.65
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CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)C1	REAL300003045423	0	59	0.0	-68.76	403.84	11.35	-57.41
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)C1	REAL300003045423	1	59	0.0	-71.47	405.13	11.39	-60.08
CC[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)C1	REAL300003045424	0	53	0.0	-63.57	359.53	9.78	-53.79
CC[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)C1	REAL300003045424	1	53	0.0	-57.38	350.59	9.86	-47.52
C[N@@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)C1	REAL300003045428	0	50	0.0	-67.31	342.42	9.48	-57.83
C[N@H+]1CCCC(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)C1	REAL300003045428	1	50	0.0	-67.11	347.22	9.28	-57.83
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])C3CCCCC32)O1	REAL300003045430	1	50	0.0	-75.61	367.88	9.55	-66.06
O=C([O-])C1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C2CCCCC12	REAL300003045438	0	52	0.0	-64.07	366.23	10.46	-53.61
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CC1=CC=C2NC3=C(CN(C(=O)C[N@@H+]4CCCC(C(=O)[O-])C4)CC3)C2=C1	REAL300003045597	0	51	0.0	-53.01	386.60	10.29	-42.72
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C=CCC1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300003045757	0	48	0.0	-45.20	344.05	6.50	-38.70
C=CCC1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300003045757	1	48	0.0	-47.24	344.66	6.86	-40.38
CC1(C)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC(C)(C)C1	REAL300003045853	0	55	0.0	-46.22	379.02	9.99	-36.23
CC1(C)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC(C)(C)C1	REAL300003045853	1	55	0.0	-46.99	362.13	10.42	-36.57
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CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CC=CC=C3Br)CN12	REAL300003046929	1	42	0.0	-63.21	356.13	9.23	-53.98
C[NH+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003046965	0	33	0.0	-60.45	286.69	6.48	-53.97
CC(C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)N1CC[NH+](C)CC1	REAL300003046966	1	45	0.0	-71.62	362.16	6.36	-65.26
C[N@@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003046990	1	40	0.0	-54.29	329.48	8.12	-46.17
C[N@H+]1CCCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003046990	1	40	0.0	-60.61	316.22	7.81	-52.80
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C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CCCCC1	REAL300003047060	0	49	0.0	-72.81	368.56	11.06	-61.75
C[N@H+](CCC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)C1CCCCC1	REAL300003047063	0	49	0.0	-66.62	386.90	10.05	-56.57
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)C1CCCCC1	REAL300003047063	1	49	0.0	-65.86	384.50	10.04	-55.82
C[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047071	0	37	0.0	-57.30	314.10	7.45	-49.85
C[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047071	1	37	0.0	-62.88	307.65	6.99	-55.89
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300003047104	0	40	0.0	-72.90	331.26	8.14	-64.76
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047129	1	41	0.0	-67.43	358.69	9.33	-58.10
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C[C@@H](C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)[NH+](C)C	REAL300003047134	0	36	0.0	-57.56	305.50	6.93	-50.63
C[N@@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047135	0	37	0.0	-55.50	304.36	6.97	-48.53
C[N@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047135	1	37	0.0	-58.36	313.11	7.48	-50.88
C[C@H](C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)[NH+](C)C	REAL300003047138	0	36	0.0	-58.60	305.86	6.86	-51.74
CCC(C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)[NH+](CC)CC	REAL300003047187	0	45	0.0	-52.67	352.78	8.78	-43.89
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C=N1	REAL300003047199	0	42	0.0	-80.26	361.46	8.54	-71.72
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047201	0	51	0.0	-70.54	405.78	10.36	-60.18
C[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003047202	1	38	0.0	-68.87	317.96	6.74	-62.13
C[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003047202	1	38	0.0	-68.10	317.66	6.80	-61.30
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047210	1	41	0.0	-57.61	352.32	9.22	-48.39
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300003047218	0	40	0.0	-54.78	339.39	8.23	-46.55
C[NH+](C)CCCCC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047222	0	42	0.0	-74.67	353.08	8.56	-66.11
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047244	1	39	0.0	-59.11	336.80	7.63	-51.48
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047248	0	39	0.0	-59.97	326.93	7.86	-52.11
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047248	1	39	0.0	-58.98	326.73	7.94	-51.04
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C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)CC(C)(C)C	REAL300003047271	0	45	0.0	-58.55	355.82	8.96	-49.59
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)CC(C)(C)C	REAL300003047271	1	45	0.0	-58.84	356.47	9.03	-49.81
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)[NH+](C)C	REAL300003047273	0	39	0.0	-56.04	317.64	7.48	-48.56
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003047275	0	44	0.0	-59.06	347.28	6.63	-52.43
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003047275	1	44	0.0	-63.39	357.70	6.88	-56.51
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047286	0	48	0.0	-59.92	391.22	10.28	-49.64
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047286	1	48	0.0	-60.11	390.40	10.24	-49.87
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C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)C1CCSC1	REAL300003047300	0	41	0.0	-62.53	347.19	8.68	-53.85
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)C1CCSC1	REAL300003047300	1	41	0.0	-62.18	345.36	8.71	-53.47
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C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C=N1	REAL300003047315	0	43	0.0	-80.84	370.98	7.97	-72.87
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)=N1	REAL300003047336	0	43	0.0	-89.85	373.19	7.99	-81.86
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047337	0	43	0.0	-58.47	367.72	8.01	-50.46
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC[N@@H+]1C	REAL300003047339	0	40	0.0	-69.58	323.85	7.45	-62.13
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC[N@H+]1C	REAL300003047339	1	40	0.0	-66.62	327.19	7.70	-58.92
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047340	1	44	0.0	-61.46	372.07	9.67	-51.79
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC[N@@H+]1C	REAL300003047342	0	43	0.0	-67.96	345.14	8.16	-59.80
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC[N@H+]1C	REAL300003047342	1	43	0.0	-70.84	350.18	8.44	-62.40
CC1C[N@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)O1	REAL300003047346	1	41	0.0	-74.14	346.06	7.71	-66.43
CC1C[N@@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)O1	REAL300003047346	1	41	0.0	-69.60	339.07	7.46	-62.14
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CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047353	1	35	0.0	-57.69	316.11	8.10	-49.59
CC(C[NH+]1CCOCC1)C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047355	0	44	0.0	-67.58	359.80	7.22	-60.36
CC1CC[NH+](CC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300003047374	0	43	0.0	-59.11	350.69	9.03	-50.08
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003047382	1	41	0.0	-67.44	334.71	7.42	-60.02
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003047382	1	41	0.0	-67.06	335.52	7.44	-59.62
C[N@@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047404	0	43	0.0	-72.30	351.25	8.78	-63.52
C[N@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047404	1	43	0.0	-67.77	350.30	8.53	-59.24
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CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047424	0	39	0.0	-58.33	323.80	7.79	-50.54
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300003047426	0	46	0.0	-71.08	362.74	9.14	-61.94
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CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047545	1	44	0.0	-61.00	371.52	9.60	-51.40
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)C1CC1	REAL300003047550	0	40	0.0	-55.26	335.33	8.52	-46.74
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)C1CC1	REAL300003047550	1	40	0.0	-57.51	334.51	8.44	-49.07
CC(C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br)[NH+]1CCCCCC1	REAL300003047563	0	46	0.0	-56.07	357.77	8.85	-47.22
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CC(C)(C)[NH2+]CC(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047604	0	39	0.0	-57.44	325.64	6.19	-51.25
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C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)=NO1	REAL300003047632	1	39	0.0	-81.56	346.59	7.47	-74.09
CC(C)[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047641	0	43	0.0	-55.99	332.41	8.26	-47.73
CC(C)[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC=C1Br	REAL300003047641	1	43	0.0	-60.61	338.99	8.71	-51.90
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300003047652	0	44	0.0	-78.69	366.64	8.57	-70.12
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003047736	0	46	0.0	-67.03	372.14	9.50	-57.53
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003047736	1	46	0.0	-67.27	371.44	9.46	-57.81
O=C([O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C1=CC=CC=C1Br	REAL300003047749	1	44	0.0	-59.53	359.90	5.64	-53.89
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003047851	0	46	0.0	-65.44	367.40	9.26	-56.18
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003047851	1	46	0.0	-64.89	365.08	9.26	-55.63
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)N1	REAL300003047865	1	41	0.0	-62.23	357.96	7.72	-54.51
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003048160	0	40	0.0	-71.10	337.20	8.25	-62.85
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300003048164	0	46	0.0	-58.19	360.67	9.17	-49.02
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3=CC=CC=C3Br)=CN12	REAL300003048166	0	38	0.0	-67.45	339.06	9.82	-57.63
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003048197	0	49	0.0	-59.87	380.74	10.38	-49.49
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003048197	1	49	0.0	-66.80	387.60	10.18	-56.62
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003048198	0	43	0.0	-66.05	349.64	8.80	-57.25
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003048198	1	43	0.0	-65.08	350.77	8.76	-56.32
C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003048203	0	40	0.0	-68.62	332.01	8.15	-60.47
C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300003048203	1	40	0.0	-66.66	332.07	8.14	-58.52
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2Br)O1	REAL300003048205	1	40	0.0	-80.98	351.03	8.25	-72.73
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=CC=C1Br	REAL300003048212	1	42	0.0	-57.59	344.54	9.18	-48.41
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=CC=C1Br	REAL300003048212	1	42	0.0	-63.06	351.71	9.15	-53.91
CC(C)(C)OCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003048263	0	49	0.0	-48.01	367.48	6.32	-41.69
CC(C)(C)OCCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003048263	1	49	0.0	-48.63	368.12	6.34	-42.29
COCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300003048364	0	47	0.0	-51.91	375.67	8.03	-43.88
COCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300003048364	1	47	0.0	-50.88	370.45	8.04	-42.84
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCC3=CC=CC=C32)C1	REAL300003048566	0	44	0.0	-50.08	333.49	8.69	-41.39
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CCC3=CC=CC=C32)C1	REAL300003048566	1	44	0.0	-47.97	339.87	8.64	-39.33
COC1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300003048710	0	51	0.0	-49.44	387.84	10.20	-39.24
COC1=CC=C(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300003048710	1	51	0.0	-53.67	394.04	10.21	-43.46
C[C@H]1[C@H](C2=CC=CC(F)=C2)OCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003048841	0	51	0.0	-50.26	377.53	9.40	-40.86
C[C@H]1[C@H](C2=CC=CC(F)=C2)OCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003048841	1	51	0.0	-51.34	384.25	9.43	-41.91
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(Cl)=CC(Cl)=C2)C1	REAL300003049024	0	40	0.0	-49.67	350.17	8.43	-41.24
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(Cl)=CC(Cl)=C2)C1	REAL300003049024	1	40	0.0	-49.01	349.53	8.41	-40.60
CC1=CC=C(C(CF)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003049160	0	46	0.0	-48.63	358.58	9.03	-39.60
CC1=CC=C(C(CF)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003049160	1	46	0.0	-49.75	353.15	9.05	-40.70
CN(CCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)S(C)(=O)=O	REAL300003049278	0	47	0.0	-58.66	373.49	3.14	-55.52
CN(CCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)S(C)(=O)=O	REAL300003049278	1	47	0.0	-59.41	374.14	3.16	-56.25
C=CCC1CCCCC1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003049360	0	50	0.0	-46.49	360.73	9.61	-36.88
C=CCC1CCCCC1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003049360	1	50	0.0	-44.62	362.79	8.75	-35.87
CC(C)C1=CC=C(C(C)(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003049455	0	55	0.0	-46.60	397.01	10.62	-35.98
CC(C)C1=CC=C(C(C)(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003049455	1	55	0.0	-47.72	403.20	10.64	-37.08
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC(C(C)(C)C)C1	REAL300003049538	0	52	0.0	-43.35	361.35	9.17	-34.18
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC(C(C)(C)C)C1	REAL300003049538	1	52	0.0	-46.20	362.14	9.75	-36.45
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCCC12CCCCC2	REAL300003049678	0	53	0.0	-47.20	372.69	9.69	-37.51
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCCC12CCCCC2	REAL300003049678	1	53	0.0	-46.33	371.47	9.65	-36.68
COC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCOC1	REAL300003049755	0	48	0.0	-50.71	356.21	4.41	-46.30
COC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCOC1	REAL300003049755	1	48	0.0	-50.33	362.97	4.44	-45.89
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(CN3CCCS3(=O)=O)=C2)C1	REAL300003049852	0	52	0.0	-55.11	409.64	6.32	-48.79
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(CN3CCCS3(=O)=O)=C2)C1	REAL300003049852	1	52	0.0	-55.98	414.80	6.33	-49.65
CCC(CC1=CC=C(F)C=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003049961	0	49	0.0	-51.09	375.95	9.86	-41.23
CCC(CC1=CC=C(F)C=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003049961	1	49	0.0	-49.48	370.62	9.89	-39.59
CC1=CC=CC(C)=C1C1CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003050076	0	53	0.0	-50.73	374.84	11.86	-38.87
CC1=CC=CC(C)=C1C1CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003050076	1	53	0.0	-48.27	381.01	11.89	-36.38
CS(=O)(=O)CC1(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003050195	0	49	0.0	-53.99	381.87	4.79	-49.20
CS(=O)(=O)CC1(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003050195	1	49	0.0	-56.44	383.32	4.58	-51.86
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CN=C(C(F)(F)F)N=C2)C1	REAL300003050397	0	41	0.0	-56.39	347.12	5.79	-50.60
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CN=C(C(F)(F)F)N=C2)C1	REAL300003050397	1	41	0.0	-52.86	340.91	5.77	-47.09
COCC(CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC	REAL300003050478	0	47	0.0	-50.27	361.52	4.41	-45.86
COCC(CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC	REAL300003050478	1	47	0.0	-50.65	362.16	4.44	-46.21
CC(C)NC1=CC=C(Cl)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003050570	1	48	0.0	-50.41	379.83	8.42	-41.99
CC(C)NC1=CC=C(Cl)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003050570	1	48	0.0	-50.47	373.48	8.43	-42.04
CSC1=CC(Cl)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003050677	1	41	0.0	-46.73	337.76	8.52	-38.21
CSC1=CC(Cl)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003050677	1	41	0.0	-46.99	339.49	8.99	-38.00
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CN3C=CN=N3)C2)C1	REAL300003050783	0	46	0.0	-52.56	350.09	6.66	-45.90
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CN3C=CN=N3)C2)C1	REAL300003050783	1	46	0.0	-53.51	355.40	7.11	-46.40
O=C([O-])C1(F)CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC12CCC2	REAL300003052043	0	54	0.0	-65.91	402.43	11.49	-54.42
O=C([O-])C1(F)CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC12CCC2	REAL300003052733	0	51	0.0	-52.98	381.88	10.65	-42.33
O=C([O-])C1(F)CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC12CCC2	REAL300003052733	1	51	0.0	-55.18	388.61	11.13	-44.05
O=C([O-])C1(F)CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC12CCC2	REAL300003053571	1	51	0.0	-58.69	405.56	11.65	-47.04
O=C([O-])C1(F)CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC12CCC2	REAL300003053571	1	51	0.0	-45.93	399.04	11.19	-34.74
O=C([O-])C1(F)CN(C(=O)C2CC[NH+](C3CC3)CC2)CC12CCC2	REAL300003053655	0	48	0.0	-54.71	357.62	9.50	-45.21
O=C([O-])C1(F)CN(C(=O)C2CCC[N@@H+]2C2CC2)CC12CCC2	REAL300003053684	0	45	0.0	-49.36	335.62	8.82	-40.54
O=C([O-])C1(F)CN(C(=O)C2CCC[N@H+]2C2CC2)CC12CCC2	REAL300003053684	1	45	0.0	-53.89	334.23	8.39	-45.50
CC1=[NH+]C=C2CCC(C(=O)N3CC4(CCC4)C(F)(C(=O)[O-])C3)CN12	REAL300003053690	1	46	0.0	-57.45	355.23	9.24	-48.21
O=C([O-])C1(F)CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC12CCC2	REAL300003053691	0	54	0.0	-57.77	403.83	11.46	-46.31
CC1=NC(C[NH+]2CCC(C(=O)N3CC4(CCC4)C(F)(C(=O)[O-])C3)CC2)=CS1	REAL300003053769	1	53	0.0	-63.93	409.87	9.25	-54.68
CC(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300003053770	1	49	0.0	-66.03	359.99	6.41	-59.62
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C=C1	REAL300003053856	0	57	0.0	-70.56	440.43	11.38	-59.18
CC1(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003053868	0	57	0.0	-61.29	410.98	11.68	-49.61
O=C([O-])C1(F)CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC12CCC2	REAL300003053926	0	39	0.0	-65.83	321.05	9.99	-55.84
C[NH+](C)CC1(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)CCCCC1	REAL300003053959	0	53	0.0	-63.58	354.64	9.74	-53.84
C[N@H+](CCC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)C1CCCCC1	REAL300003053964	0	53	0.0	-57.03	384.77	10.21	-46.82
C[N@@H+](CCC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)C1CCCCC1	REAL300003053964	1	53	0.0	-60.51	384.07	10.20	-50.31
O=C([O-])C1(F)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC12CCC2	REAL300003053983	1	54	0.0	-57.95	397.79	11.30	-46.65
O=C([O-])C1(F)CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC12CCC2	REAL300003053983	1	54	0.0	-56.76	400.89	11.47	-45.29
O=C([O-])C1(F)CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC12CCC2	REAL300003053984	1	51	0.0	-59.70	395.23	11.20	-48.50
O=C([O-])C1(F)CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC12CCC2	REAL300003053984	1	51	0.0	-46.56	388.72	10.74	-35.82
O=C([O-])C1(F)CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC12CCC2	REAL300003054039	0	47	0.0	-65.75	373.04	8.82	-56.93
O=C([O-])C1(F)CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC12CCC2	REAL300003054063	0	54	0.0	-54.22	379.79	10.78	-43.44
O=C([O-])C1(F)CN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC12CCC2	REAL300003054063	1	54	0.0	-49.61	375.27	10.19	-39.42
O=C([O-])C1(F)CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC12CCC2	REAL300003054064	0	55	0.0	-65.35	393.54	8.58	-56.77
CC1=[NH+]C=CN1CCCC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054094	1	45	0.0	-57.31	357.33	9.53	-47.78
O=C([O-])C1(F)CN(C(=O)CCCC[NH+]2CCOCC2)CC12CCC2	REAL300003054095	1	51	0.0	-66.11	383.93	8.19	-57.92
CC[N@H+](CC1=CC=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C=C1)C(C)C	REAL300003054097	0	56	0.0	-69.47	409.14	11.28	-58.19
CC[N@@H+](CC1=CC=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C=C1)C(C)C	REAL300003054097	1	56	0.0	-69.48	400.67	10.88	-58.60
O=C([O-])C1(F)CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC12CCC2	REAL300003054132	0	51	0.0	-59.95	388.18	10.93	-49.02
O=C([O-])C1(F)CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCC2	REAL300003054132	1	51	0.0	-59.94	388.98	10.96	-48.98
O=C([O-])C1(F)CN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC12CCC2	REAL300003054133	0	52	0.0	-67.55	385.49	10.20	-57.35
C[NH+]1CCN(C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300003054161	1	56	0.0	-64.15	415.64	9.65	-54.50
O=C([O-])C1(F)CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC12CCC2	REAL300003054162	0	55	0.0	-60.84	382.42	8.46	-52.38
CCC(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)[NH+](CC)CC	REAL300003054166	0	49	0.0	-47.24	348.84	8.78	-38.46
CC(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300003054168	0	50	0.0	-56.21	379.06	10.53	-45.68
CC(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003054168	1	50	0.0	-54.97	378.91	10.51	-44.46
O=C([O-])C1(F)CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC12CCC2	REAL300003054178	0	57	0.0	-59.71	419.32	12.53	-47.18
O=C([O-])C1(F)CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC12CCC2	REAL300003054178	1	57	0.0	-70.42	420.31	12.59	-57.83
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C=N1	REAL300003054202	0	46	0.0	-67.89	356.63	8.14	-59.75
CCC[NH+](CCC)CCCC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054211	0	55	0.0	-62.60	403.74	10.53	-52.07
O=C([O-])C1(F)CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CC12CCC2	REAL300003054212	1	55	0.0	-43.35	412.04	8.44	-34.91
CC[N@H+](C)C(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003054213	0	50	0.0	-52.37	376.62	10.63	-41.74
CC[N@@H+](C)C(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003054213	1	50	0.0	-51.96	376.44	10.58	-41.38
C[N@@H+]1CCOC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003054215	1	42	0.0	-82.50	312.73	6.71	-75.79
C[N@H+]1CCOC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003054215	1	42	0.0	-72.97	312.34	6.68	-66.29
CC[NH+](CC)C(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003054218	0	53	0.0	-55.12	382.42	11.06	-44.06
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054226	1	45	0.0	-50.90	355.74	9.38	-41.52
C[NH+](C)C(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300003054230	1	47	0.0	-48.47	372.86	10.37	-38.10
O=C([O-])C1(F)CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC12CCC2	REAL300003054243	0	51	0.0	-90.70	385.65	10.84	-79.86
O=C([O-])C1(F)CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC12CCC2	REAL300003054250	0	54	0.0	-79.51	402.22	11.53	-67.98
CCN1CCC([NH+]2CCC(C(=O)N3CC4(CCC4)C(F)(C(=O)[O-])C3)CC2)CC1	REAL300003054256	0	62	0.0	-62.55	440.51	9.42	-53.13
C[NH+](C)CCCCC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054268	0	46	0.0	-64.66	351.03	8.75	-55.91
CC(C)C(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)[NH+](C)C	REAL300003054276	0	46	0.0	-49.76	329.70	8.30	-41.46
O=C([O-])C1(F)CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC12CCC2	REAL300003054278	1	55	0.0	-68.61	419.94	11.17	-57.44
O=C([O-])C1(F)CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC12CCC2	REAL300003054278	1	55	0.0	-68.64	413.28	11.12	-57.52
O=C([O-])C1(F)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC12CCC2	REAL300003054290	0	54	0.0	-53.81	391.34	11.24	-42.57
O=C([O-])C1(F)CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC12CCC2	REAL300003054290	1	54	0.0	-52.74	394.45	11.40	-41.34
CC1=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300003054292	1	45	0.0	-81.67	356.70	8.10	-73.57
O=C([O-])C1(F)CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC12CCC2	REAL300003054300	0	54	0.0	-70.49	402.44	11.53	-58.96
O=C([O-])C1(F)CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC12CCC2	REAL300003054313	1	47	0.0	-72.91	366.94	8.98	-63.93
C[NH+](C)CCC1=CC=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C=C1	REAL300003054314	0	50	0.0	-93.30	383.33	10.51	-82.79
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054326	1	43	0.0	-51.68	335.72	7.24	-44.44
O=C([O-])C1(F)CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC12CCC2	REAL300003054327	1	52	0.0	-58.37	388.92	10.26	-48.11
O=C([O-])C1(F)CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC12CCC2	REAL300003054327	1	52	0.0	-58.20	388.94	10.24	-47.96
C[N@H+](CC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)CC(C)(C)C	REAL300003054390	0	49	0.0	-50.90	354.18	9.00	-41.90
C[N@@H+](CC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)CC(C)(C)C	REAL300003054390	1	49	0.0	-56.25	355.35	9.13	-47.12
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054392	0	50	0.0	-55.49	385.26	11.03	-44.46
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054392	1	50	0.0	-55.49	385.48	11.03	-44.46
COCCOCC[N@H+](C)CCC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054393	0	54	0.0	-61.50	413.80	7.22	-54.28
COCCOCC[N@@H+](C)CCC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054393	1	54	0.0	-57.26	414.54	7.26	-50.00
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003054397	0	48	0.0	-58.63	353.76	7.06	-51.57
C[N@H+]1CCCC(O)(CC(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003054397	1	48	0.0	-59.49	344.09	6.89	-52.60
O=C([O-])C1(F)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC12CCC2	REAL300003054414	1	53	0.0	-58.09	386.39	9.50	-48.59
O=C([O-])C1(F)CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC12CCC2	REAL300003054414	1	53	0.0	-58.20	386.46	9.50	-48.70
CCCCCC[N@H+](C)CC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054417	0	52	0.0	-58.42	389.31	10.33	-48.09
CCCCCC[N@@H+](C)CC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054417	1	52	0.0	-52.87	389.85	10.36	-42.51
O=C([O-])C1(F)CN(C(=O)C23CCC[NH+]2CCC3)CC12CCC2	REAL300003054427	0	45	0.0	-68.82	323.64	7.98	-60.84
O=C([O-])C1(F)CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC12CCC2	REAL300003054435	1	39	0.0	-67.80	321.38	10.00	-57.80
C[N@H+](CC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)C1CCSC1	REAL300003054453	0	45	0.0	-55.60	345.47	8.85	-46.75
C[N@@H+](CC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)C1CCSC1	REAL300003054453	1	45	0.0	-56.83	345.70	8.83	-48.00
CC(C)[NH+]1CCN(CCC(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)CC1	REAL300003054468	0	55	0.0	-61.32	401.01	7.78	-53.54
CC(C)N1CC[NH+](CCC(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)CC1	REAL300003054468	1	55	0.0	-60.56	397.50	7.58	-52.98
CC(C)[NH+]1CCN(CCCC(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)CC1	REAL300003054469	0	58	0.0	-62.28	422.51	8.59	-53.69
CC(C)N1CC[NH+](CCCC(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)CC1	REAL300003054469	1	58	0.0	-63.05	419.32	8.42	-54.63
O=C([O-])C1(F)CN(C(=O)C2CCCC3CCC[N@@H+]32)CC12CCC2	REAL300003054470	0	48	0.0	-47.31	347.03	9.15	-38.16
O=C([O-])C1(F)CN(C(=O)C2CCCC3CCC[N@H+]32)CC12CCC2	REAL300003054470	1	48	0.0	-55.19	337.50	9.09	-46.10
C[NH+](C)CCN1C=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C=N1	REAL300003054472	0	47	0.0	-84.75	365.96	7.70	-77.05
O=C([O-])C1(F)CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC12CCC2	REAL300003054481	0	56	0.0	-64.92	418.46	9.95	-54.97
O=C([O-])C1(F)CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC12CCC2	REAL300003054484	0	53	0.0	-63.85	399.58	9.84	-54.01
O=C([O-])C1(F)CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC12CCC2	REAL300003054484	1	53	0.0	-59.43	392.06	9.83	-49.60
CC(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003054489	1	51	0.0	-56.48	377.03	10.81	-45.67
CC(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003054489	1	51	0.0	-56.37	379.90	10.92	-45.45
CCCC(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)[NH+](C)C	REAL300003054512	0	46	0.0	-56.22	335.25	8.34	-47.88
O=C([O-])C1(F)CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC12CCC2	REAL300003054514	0	54	0.0	-62.77	409.05	11.79	-50.98
O=C([O-])C1(F)CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCC2	REAL300003054514	1	54	0.0	-65.82	411.00	11.84	-53.98
C[NH+](C)CCN1C=CC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)=N1	REAL300003054529	0	47	0.0	-69.09	367.17	8.32	-60.77
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054530	0	47	0.0	-62.14	360.59	7.73	-54.41
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054536	1	48	0.0	-55.18	371.60	9.82	-45.36
CC[C@@H]1[C@@H](C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)CC[N@@H+]1C	REAL300003054539	0	47	0.0	-62.28	343.68	8.23	-54.05
CC[C@@H]1[C@@H](C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)CC[N@H+]1C	REAL300003054539	1	47	0.0	-50.34	338.72	8.47	-41.87
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)=NN1	REAL300003054542	1	48	0.0	-71.41	368.24	7.86	-63.55
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)=NN1	REAL300003054542	1	48	0.0	-70.48	369.06	7.86	-62.62
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054543	1	43	0.0	-52.99	330.76	8.32	-44.67
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054543	1	43	0.0	-53.88	333.69	8.63	-45.25
CC1C[N@H+](C)CC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)O1	REAL300003054551	1	45	0.0	-62.36	333.38	7.19	-55.17
CC1C[N@@H+](C)CC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)O1	REAL300003054551	1	45	0.0	-61.79	333.62	7.56	-54.23
O=C([O-])C1(F)CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC12CCC2	REAL300003054557	0	54	0.0	-74.03	413.58	11.76	-62.27
O=C([O-])C1(F)CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC12CCC2	REAL300003054557	1	54	0.0	-75.32	413.22	11.76	-63.56
O=C([O-])C1(F)CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC12CCC2	REAL300003054558	1	50	0.0	-52.23	382.88	9.50	-42.73
O=C([O-])C1(F)CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC12CCC2	REAL300003054558	1	50	0.0	-53.71	381.14	9.13	-44.58
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054563	0	48	0.0	-57.65	352.59	7.15	-50.50
O=C([O-])C1(F)CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC12CCC2	REAL300003054564	0	55	0.0	-64.55	416.18	9.36	-55.19
CC1CC[NH+](CC(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)CC1	REAL300003054574	0	47	0.0	-51.06	348.96	9.07	-41.99
CC[N@@H+]1CCOC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003054589	1	45	0.0	-63.14	330.58	7.32	-55.82
CC[N@H+]1CCOC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003054589	1	45	0.0	-55.88	329.90	7.33	-48.55
O=C([O-])C1(F)CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC12CCC2	REAL300003054629	0	54	0.0	-59.40	389.82	10.40	-49.00
O=C([O-])C1(F)CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC12CCC2	REAL300003054629	1	54	0.0	-58.62	386.82	10.35	-48.27
C[N@@H+]1CCCC1CCC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054636	0	47	0.0	-61.74	347.88	8.64	-53.10
C[N@H+]1CCCC1CCC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054636	1	47	0.0	-59.19	348.20	8.63	-50.56
O=C([O-])C1(F)CN(C(=O)C23CCC[NH+](CCC2)C3)CC12CCC2	REAL300003054648	0	48	0.0	-78.26	334.65	8.29	-69.97
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054652	1	45	0.0	-54.69	323.05	3.76	-50.93
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054652	1	45	0.0	-53.12	321.27	4.21	-48.91
O=C([O-])C1(F)CN(C(=O)C2CCC3CCCC[N@@H+]32)CC12CCC2	REAL300003054653	0	48	0.0	-52.97	345.53	9.03	-43.94
O=C([O-])C1(F)CN(C(=O)C2CCC3CCCC[N@H+]32)CC12CCC2	REAL300003054653	1	48	0.0	-52.89	345.53	9.01	-43.88
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054661	0	51	0.0	-59.38	357.96	7.11	-52.27
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C=N1	REAL300003054666	0	54	0.0	-63.16	403.71	8.86	-54.30
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C=N1	REAL300003054666	1	54	0.0	-63.69	398.46	9.04	-54.65
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC4(CCC4)C(F)(C(=O)[O-])C3)=C2)CC1	REAL300003054670	0	56	0.0	-69.21	420.69	9.12	-60.09
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC4(CCC4)C(F)(C(=O)[O-])C3)C=C2)CC1	REAL300003054671	0	56	0.0	-66.55	419.31	8.93	-57.62
CN1CC[NH+](CC2=CC=C(C(=O)N3CC4(CCC4)C(F)(C(=O)[O-])C3)C=C2)CC1	REAL300003054671	1	56	0.0	-91.81	418.92	8.98	-82.83
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C=C1	REAL300003054672	0	57	0.0	-71.73	422.31	10.55	-61.18
CC(C)[NH+]1CCC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)CC1	REAL300003054680	0	50	0.0	-60.42	364.56	9.33	-51.09
O=C([O-])C1(F)CN(C(=O)C23CC[N@H+](C2)CCC3)CC12CCC2	REAL300003054767	0	45	0.0	-50.82	319.16	7.48	-43.34
O=C([O-])C1(F)CN(C(=O)C23CC[N@@H+](C2)CCC3)CC12CCC2	REAL300003054767	1	45	0.0	-63.41	319.07	7.42	-55.99
CC1CCC(C)[NH+]1CC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054820	0	47	0.0	-52.72	342.95	8.46	-44.26
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)=C1	REAL300003054821	0	47	0.0	-80.10	360.65	9.68	-70.42
O=C([O-])C1(F)CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC12CCC2	REAL300003054822	0	54	0.0	-57.95	403.53	11.51	-46.44
O=C([O-])C1(F)CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC12CCC2	REAL300003054822	1	54	0.0	-57.95	403.29	11.51	-46.44
C#CC[NH+]1CCC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)CC1	REAL300003054893	0	46	0.0	-64.61	354.91	9.29	-55.32
CCC[N@@H+]1CCCCC1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054895	0	50	0.0	-52.61	365.48	9.51	-43.10
CCC[N@H+]1CCCCC1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054895	1	50	0.0	-52.64	365.52	9.52	-43.12
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054896	0	47	0.0	-62.79	358.00	9.69	-53.10
CC[NH+]1CCN(CCC(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)CC1	REAL300003054898	0	52	0.0	-63.13	384.26	7.27	-55.86
CCN1CC[NH+](CCC(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)CC1	REAL300003054898	1	52	0.0	-60.70	384.26	7.26	-53.44
CC(C)C(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300003054900	0	53	0.0	-52.90	371.24	9.96	-42.94
C[NH+](C)C(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003054901	1	47	0.0	-54.99	357.90	9.82	-45.17
O=C([O-])C1(F)CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC12CCC2	REAL300003054905	0	52	0.0	-48.32	398.33	8.05	-40.27
O=C([O-])C1(F)CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCC2	REAL300003054905	1	52	0.0	-71.02	394.86	8.02	-63.00
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003054911	1	48	0.0	-53.27	371.80	9.78	-43.49
C[NH+](C)CC1=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300003054912	0	50	0.0	-66.18	388.35	10.49	-55.69
O=C([O-])C1(F)CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC12CCC2	REAL300003054917	0	51	0.0	-54.26	360.96	10.24	-44.02
O=C([O-])C1(F)CN(C(=O)C2CCC[N@H+]2C2CCCC2)CC12CCC2	REAL300003054917	1	51	0.0	-53.48	364.57	9.82	-43.66
CC(C)C(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300003054947	1	57	0.0	-44.26	400.81	9.04	-35.22
CC(C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300003054948	0	50	0.0	-48.58	354.85	8.96	-39.62
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4(CCC4)C(F)(C(=O)[O-])C3)=CC=C1N2	REAL300003054986	1	52	0.0	-99.16	395.70	10.08	-89.08
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4(CCC4)C(F)(C(=O)[O-])C3)=CC=C1N2	REAL300003054986	1	52	0.0	-76.70	396.07	10.09	-66.61
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)O1	REAL300003055039	0	50	0.0	-59.04	382.97	9.84	-49.20
O=C([O-])C1(F)CN(C(=O)CCCC[NH+]2CCCC2)CC12CCC2	REAL300003055040	0	50	0.0	-63.12	376.98	9.92	-53.20
CC1=CC=C(N2CCC(C(=O)N3CC4(CCC4)C(F)(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300003055042	1	53	0.0	-75.92	400.06	9.58	-66.34
C[N@H+](CC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300003055043	1	47	0.0	-54.34	362.78	10.19	-44.15
C[N@@H+](CC(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300003055043	1	47	0.0	-59.88	362.30	10.16	-49.72
CC(C)[C@@H](C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1)[NH+](C)C	REAL300003055054	0	46	0.0	-57.03	329.34	8.27	-48.76
O=C([O-])C1(F)CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC12CCC2	REAL300003055067	1	42	0.0	-84.15	340.41	7.67	-76.48
C[NH+](C)CC1=CC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)=NO1	REAL300003055098	1	43	0.0	-74.58	341.56	7.84	-66.74
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003055102	0	54	0.0	-44.51	402.72	11.37	-33.14
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003055102	1	54	0.0	-60.66	409.07	11.53	-49.13
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003055119	0	47	0.0	-53.48	342.38	8.53	-44.95
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003055119	1	47	0.0	-50.05	337.24	8.43	-41.62
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C=C1	REAL300003055126	0	55	0.0	-69.85	426.94	11.04	-58.81
C[NH+]1CCC(OCC(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)CC1	REAL300003055146	0	48	0.0	-67.16	366.31	8.77	-58.39
O=C([O-])C1(F)CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC12CCC2	REAL300003055151	0	51	0.0	-61.53	388.18	10.23	-51.30
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003055196	0	53	0.0	-58.77	396.85	9.63	-49.14
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003055196	1	53	0.0	-56.43	395.30	9.58	-46.85
CCC[N@@H+]1CCCC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003055346	0	50	0.0	-60.24	365.55	9.32	-50.92
CCC[N@H+]1CCCC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003055346	1	50	0.0	-56.59	359.43	9.50	-47.09
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003055379	0	50	0.0	-53.52	363.03	9.19	-44.33
CC(C)C[N@H+]1CCCC1C(=O)N1CC2(CCC2)C(F)(C(=O)[O-])C1	REAL300003055379	1	50	0.0	-50.77	363.25	9.51	-41.26
O=C([O-])C1(F)CN(C(=O)C[NH+]2CCC(CO)CC2)CC12CCC2	REAL300003055380	1	48	0.0	-52.44	359.80	5.77	-46.67
O=C([O-])C1(F)CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC12CCC2	REAL300003055483	0	55	0.0	-65.15	408.74	11.79	-53.36
O=C([O-])C1(F)CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC12CCC2	REAL300003055483	1	55	0.0	-59.62	412.42	11.84	-47.78
O=C([O-])C1(F)CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC12CCC2	REAL300003055525	1	54	0.0	-54.78	409.27	11.71	-43.07
O=C([O-])C1(F)CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC12CCC2	REAL300003055525	1	54	0.0	-54.77	409.10	11.72	-43.05
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003055618	0	50	0.0	-58.44	360.70	9.09	-49.35
CC(C)[N@H+]1CCCC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003055618	1	50	0.0	-58.66	364.94	9.29	-49.37
C[N@@H+]1CC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003055619	0	44	0.0	-70.49	335.09	7.93	-62.56
C[N@H+]1CC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003055619	1	44	0.0	-62.96	336.78	8.78	-54.18
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)N1	REAL300003055643	1	45	0.0	-52.70	357.53	7.95	-44.75
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)=C1	REAL300003056141	0	50	0.0	-81.95	383.15	10.51	-71.44
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C=C1	REAL300003056149	0	51	0.0	-74.13	390.70	9.45	-64.68
O=C([O-])C1(F)CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC12CCC2	REAL300003056249	0	57	0.0	-65.93	425.36	12.55	-53.38
CC1C[N@H+](CC2=CC=C(C(=O)N3CC4(CCC4)C(F)(C(=O)[O-])C3)C=C2)CCO1	REAL300003056251	1	55	0.0	-70.94	415.67	9.90	-61.04
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC4(CCC4)C(F)(C(=O)[O-])C3)C=C2)CCO1	REAL300003056251	1	55	0.0	-71.40	414.34	9.85	-61.55
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)CC1	REAL300003056297	0	50	0.0	-69.33	354.13	9.01	-60.32
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003056365	0	53	0.0	-57.12	374.11	10.16	-46.96
CC(C)C[N@H+]1CCCC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003056365	1	53	0.0	-57.12	374.11	10.16	-46.96
CC[N@@H+]1CCCC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003056366	0	47	0.0	-55.17	338.52	8.77	-46.40
CC[N@H+]1CCCC(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003056366	1	47	0.0	-55.17	338.52	8.77	-46.40
CN(C)CC1=CC=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)O1	REAL300003056372	0	44	0.0	-61.81	347.66	8.46	-53.35
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)O1	REAL300003056372	1	44	0.0	-61.81	347.66	8.46	-53.35
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003056377	0	53	0.0	-64.35	362.81	8.69	-55.66
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC3(CCC3)C(F)(C(=O)[O-])C2)C1	REAL300003056377	1	53	0.0	-64.35	362.81	8.69	-55.66
O=C([O-])C1(F)CN(C(=O)C23CC(C2)CN3C2CC2)CC12CCC2	REAL300003056380	0	46	0.0	-49.90	344.08	9.02	-40.88
O=C([O-])C1(F)CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC12CCC2	REAL300003056380	1	46	0.0	-51.37	339.12	9.82	-41.55
O=C([O-])C1(F)CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC12CCC2	REAL300003056380	1	46	0.0	-51.37	339.12	9.82	-41.55
CSC1=C(F)C=CC=C1NC(=O)CN1CCCC(C(=O)[O-])C1	REAL300003056445	0	41	0.0	-50.31	338.31	8.59	-41.72
CSC1=C(F)C=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003056445	1	41	0.0	-48.37	332.81	8.62	-39.75
CSC1=C(F)C=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003056445	1	41	0.0	-48.37	332.81	8.62	-39.75
CCC(COCC1CC1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003056551	0	50	0.0	-44.02	370.65	7.60	-36.42
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3C(C2)C2CCC3CC2)C1	REAL300003056647	0	51	0.0	-46.70	347.17	9.70	-37.00
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3C(C2)C2CCC3CC2)C1	REAL300003056647	1	51	0.0	-46.70	347.17	9.70	-37.00
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=CO3)CC2)C1	REAL300003056751	0	47	0.0	-49.20	356.05	9.22	-39.98
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=CO3)CC2)C1	REAL300003056751	1	47	0.0	-49.20	356.05	9.22	-39.98
CC1(C2CC2)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300003056832	0	48	0.0	-44.58	340.38	7.52	-37.06
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(C3CCCCC3)C=C2)C1	REAL300003056941	0	59	0.0	-49.11	433.84	11.98	-37.13
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(C3CCCCC3)C=C2)C1	REAL300003056941	1	59	0.0	-49.11	433.84	11.98	-37.13
C=CCCC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300003057056	0	53	0.0	-47.29	388.23	9.59	-37.70
C=CCCC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300003057056	1	53	0.0	-47.16	381.08	9.69	-37.47
CS(=O)(=O)[C@@H]1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C[C@H]1C(F)(F)F	REAL300003057211	1	46	0.0	-56.89	376.62	5.01	-51.88
CS(=O)(=O)[C@@H]1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C[C@H]1C(F)(F)F	REAL300003057211	1	46	0.0	-58.70	376.59	5.01	-53.69
COC1=CC=C(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)C=C1	REAL300003057341	0	54	0.0	-51.71	420.44	10.75	-40.96
COC1=CC=C(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2)C=C1	REAL300003057341	1	54	0.0	-52.18	415.00	10.77	-41.41
CC1(CC2=CC=CC=C2Cl)CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003057440	0	53	0.0	-48.60	390.68	11.72	-36.88
CC1(CC2=CC=CC=C2Cl)CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003057440	1	53	0.0	-44.23	388.67	11.26	-32.97
CC1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC2=CC=CC=C21	REAL300003057554	0	53	0.0	-48.04	375.94	11.63	-36.41
CC1(C)CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC2=CC=CC=C21	REAL300003057554	1	53	0.0	-48.37	375.83	11.55	-36.82
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3(CCCC3)CC2)C1	REAL300003057673	0	53	0.0	-47.19	362.23	10.32	-36.87
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3(CCCC3)CC2)C1	REAL300003057673	1	53	0.0	-43.07	357.02	9.43	-33.64
COCC1(C(=O)[O-])CCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003058778	0	54	0.0	-85.33	400.61	11.05	-74.28
COCC1(C(=O)[O-])CCCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300003060063	0	48	0.0	-77.80	348.75	8.64	-69.16
COCC1(C(=O)[O-])CCCN1C(=O)C1CCC2=C[NH+]=C(C)N2C1	REAL300003060087	1	46	0.0	-73.70	353.21	8.82	-64.88
COCC1(C(=O)[O-])CCCN1C(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1	REAL300003060147	1	53	0.0	-84.91	408.04	8.81	-76.10
COCC1(C(=O)[O-])CCCN1C(=O)C(C)N1CC[NH+](C)CC1	REAL300003060148	1	49	0.0	-77.97	353.87	5.68	-72.29
COCC1(C(=O)[O-])CCCN1C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003060215	0	57	0.0	-87.32	437.76	10.82	-76.50
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300003060220	0	57	0.0	-84.94	433.14	13.39	-71.55
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300003060220	1	57	0.0	-86.96	433.04	13.39	-73.57
COCC1(C(=O)[O-])CCCN1C(=O)CC[N@H+](C)C1CCCCC1	REAL300003060295	0	53	0.0	-75.20	382.16	9.69	-65.51
COCC1(C(=O)[O-])CCCN1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300003060295	1	53	0.0	-74.29	382.07	9.70	-64.59
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003060355	0	47	0.0	-93.45	366.01	8.83	-84.62
COCC1(C(=O)[O-])CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003060371	0	55	0.0	-77.63	384.79	7.85	-69.78
COCC1(C(=O)[O-])CCCN1C(=O)CCCN1C=C[NH+]=C1C	REAL300003060399	1	45	0.0	-74.19	354.67	8.98	-65.21
COCC1(C(=O)[O-])CCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300003060400	1	51	0.0	-82.94	382.16	7.72	-75.22
CC[N@H+](CC1=CC=C(C(=O)N2CCCC2(COC)C(=O)[O-])C=C1)C(C)C	REAL300003060401	0	56	0.0	-85.89	400.54	11.12	-74.77
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC2(COC)C(=O)[O-])C=C1)C(C)C	REAL300003060401	1	56	0.0	-84.26	394.82	10.84	-73.42
COCC1(C(=O)[O-])CCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003060419	0	51	0.0	-74.20	384.97	10.44	-63.76
COCC1(C(=O)[O-])CCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003060419	1	51	0.0	-74.05	386.25	10.38	-63.67
COCC1(C(=O)[O-])CCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003060420	0	52	0.0	-88.27	383.33	9.72	-78.55
COCC1(C(=O)[O-])CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003060447	0	55	0.0	-75.21	380.62	7.82	-67.39
CCC(C(=O)N1CCCC1(COC)C(=O)[O-])[NH+](CC)CC	REAL300003060451	0	49	0.0	-63.30	347.53	8.21	-55.09
COCC1(C(=O)[O-])CCCN1C(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300003060453	0	50	0.0	-63.85	376.33	9.75	-54.10
COCC1(C(=O)[O-])CCCN1C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300003060453	1	50	0.0	-71.67	376.98	10.04	-61.63
COCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003060461	0	57	0.0	-68.40	417.03	11.98	-56.42
COCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003060461	1	57	0.0	-77.70	423.19	11.87	-65.83
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300003060477	0	46	0.0	-89.36	351.32	8.25	-81.11
CCC[NH+](CCC)CCCC(=O)N1CCCC1(COC)C(=O)[O-]	REAL300003060484	0	55	0.0	-76.70	406.26	10.29	-66.41
COCC1(C(=O)[O-])CCCN1C(=O)CN1C=C[NH+]=C1C(C)C	REAL300003060492	1	45	0.0	-65.14	349.59	8.79	-56.35
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003060505	0	51	0.0	-92.83	381.38	10.87	-81.96
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003060510	0	54	0.0	-83.64	398.91	11.63	-72.01
CCN1CCC([NH+]2CCC(C(=O)N3CCCC3(COC)C(=O)[O-])CC2)CC1	REAL300003060516	0	62	0.0	-82.86	430.42	8.53	-74.33
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300003060522	1	58	0.0	-95.23	431.45	10.60	-84.63
COCC1(C(=O)[O-])CCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003060533	1	55	0.0	-87.40	411.25	10.40	-77.00
COCC1(C(=O)[O-])CCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003060533	1	55	0.0	-87.67	418.05	10.45	-77.22
COCC1(C(=O)[O-])CCCN1C(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1	REAL300003060548	1	45	0.0	-87.16	352.63	7.50	-79.66
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003060551	0	54	0.0	-89.26	397.96	11.54	-77.72
COCC1(C(=O)[O-])CCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003060562	1	47	0.0	-83.51	362.36	9.00	-74.51
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300003060563	0	50	0.0	-96.49	379.06	10.57	-85.92
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC1(COC)C(=O)[O-]	REAL300003060568	1	43	0.0	-65.65	332.42	6.54	-59.11
COCC1(C(=O)[O-])CCCN1C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003060579	0	60	0.0	-68.38	441.18	12.39	-55.99
COCC1(C(=O)[O-])CCCN1C(=O)C(C)[NH+]1CCSCC1	REAL300003060607	1	45	0.0	-64.84	340.88	8.01	-56.83
COCC1(C(=O)[O-])CCCN1C(=O)C[N@H+](C)CC(C)(C)C	REAL300003060612	0	49	0.0	-66.17	353.70	8.57	-57.60
COCC1(C(=O)[O-])CCCN1C(=O)C[N@@H+](C)CC(C)(C)C	REAL300003060612	1	49	0.0	-66.25	353.53	8.51	-57.74
COCC1(C(=O)[O-])CCCN1C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300003060614	0	50	0.0	-69.07	383.06	10.45	-58.62
COCC1(C(=O)[O-])CCCN1C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300003060614	1	50	0.0	-69.27	383.07	10.45	-58.82
COCCOCC[N@H+](C)CCC(=O)N1CCCC1(COC)C(=O)[O-]	REAL300003060615	0	54	0.0	-73.47	411.87	6.70	-66.77
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1(COC)C(=O)[O-]	REAL300003060615	1	54	0.0	-77.04	411.92	6.72	-70.32
COCC1(C(=O)[O-])CCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003060623	0	59	0.0	-81.42	438.20	10.27	-71.15
CCCCCC[N@H+](C)CC(=O)N1CCCC1(COC)C(=O)[O-]	REAL300003060625	0	52	0.0	-68.05	387.66	9.77	-58.28
CCCCCC[N@@H+](C)CC(=O)N1CCCC1(COC)C(=O)[O-]	REAL300003060625	1	52	0.0	-67.99	387.66	9.77	-58.22
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300003060635	1	39	0.0	-84.83	308.99	9.81	-75.02
COCC1(C(=O)[O-])CCCN1C(=O)C[N@H+](C)C1CCSC1	REAL300003060651	0	45	0.0	-68.27	342.97	8.24	-60.03
COCC1(C(=O)[O-])CCCN1C(=O)C[N@@H+](C)C1CCSC1	REAL300003060651	1	45	0.0	-72.83	343.22	8.23	-64.60
COCC1(C(=O)[O-])CCCN1C(=O)CCN1CC[NH+](C(C)C)CC1	REAL300003060663	0	55	0.0	-82.02	394.14	6.92	-75.10
COCC1(C(=O)[O-])CCCN1C(=O)CC[NH+]1CCN(C(C)C)CC1	REAL300003060663	1	55	0.0	-73.77	395.56	7.05	-66.72
COCC1(C(=O)[O-])CCCN1C(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300003060664	0	58	0.0	-77.68	420.51	8.08	-69.60
COCC1(C(=O)[O-])CCCN1C(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300003060664	1	58	0.0	-77.20	417.07	7.89	-69.31
COCC1(C(=O)[O-])CCCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300003060665	0	48	0.0	-62.08	343.79	8.53	-53.55
COCC1(C(=O)[O-])CCCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300003060665	1	48	0.0	-71.16	340.13	8.31	-62.85
COCC1(C(=O)[O-])CCCN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300003060667	0	47	0.0	-85.76	360.95	7.81	-77.95
COCC1(C(=O)[O-])CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300003060670	0	59	0.0	-77.67	437.92	10.09	-67.58
COCC1(C(=O)[O-])CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003060671	0	56	0.0	-77.61	416.51	9.42	-68.19
COCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003060672	0	53	0.0	-65.92	390.13	9.27	-56.65
COCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003060672	1	53	0.0	-69.73	389.34	9.23	-60.50
COCC1(C(=O)[O-])CCCN1C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003060677	1	51	0.0	-70.67	379.70	10.46	-60.21
COCC1(C(=O)[O-])CCCN1C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300003060677	1	51	0.0	-67.63	374.52	10.21	-57.42
COCC1(C(=O)[O-])CCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003060699	0	54	0.0	-80.91	406.74	11.28	-69.63
COCC1(C(=O)[O-])CCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003060699	1	54	0.0	-82.63	409.42	11.33	-71.30
COCC1(C(=O)[O-])CCCN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300003060712	0	47	0.0	-97.28	363.59	8.41	-88.87
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300003060713	0	47	0.0	-64.82	358.27	7.19	-57.63
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC1(COC)C(=O)[O-]	REAL300003060714	1	48	0.0	-70.08	369.66	9.24	-60.84
COCC1(C(=O)[O-])CCCN1C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300003060719	1	48	0.0	-81.25	359.59	7.48	-73.77
COCC1(C(=O)[O-])CCCN1C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300003060719	1	48	0.0	-87.38	364.68	7.95	-79.43
COCC1(C(=O)[O-])CCCN1C(=O)C1C[N@H+](C)CC(C)O1	REAL300003060724	1	45	0.0	-92.80	337.96	6.77	-86.03
COCC1(C(=O)[O-])CCCN1C(=O)C1C[N@@H+](C)CC(C)O1	REAL300003060724	1	45	0.0	-85.28	330.47	6.36	-78.92
COCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003060728	0	54	0.0	-71.63	401.68	11.18	-60.45
COCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003060728	1	54	0.0	-68.56	400.87	11.16	-57.40
COCC1(C(=O)[O-])CCCN1C(=O)C(C)C[NH+]1CCOCC1	REAL300003060733	1	48	0.0	-75.42	350.65	6.50	-68.92
COCC1(C(=O)[O-])CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003060734	0	55	0.0	-77.84	414.25	8.85	-68.99
CC[N@@H+]1CCOC(C(=O)N2CCCC2(COC)C(=O)[O-])C1	REAL300003060753	1	45	0.0	-78.84	335.40	6.67	-72.17
CC[N@H+]1CCOC(C(=O)N2CCCC2(COC)C(=O)[O-])C1	REAL300003060753	1	45	0.0	-81.93	335.11	6.77	-75.16
COCC1(C(=O)[O-])CCCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300003060794	0	48	0.0	-65.18	347.49	8.90	-56.28
COCC1(C(=O)[O-])CCCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300003060794	1	48	0.0	-65.35	349.71	8.87	-56.48
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300003060808	0	56	0.0	-85.61	416.02	9.20	-76.41
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300003060809	0	56	0.0	-83.60	414.46	8.94	-74.66
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300003060809	1	56	0.0	-93.78	414.65	9.02	-84.76
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300003060906	0	47	0.0	-81.90	356.43	9.79	-72.11
COCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003060907	0	54	0.0	-68.97	394.46	11.11	-57.86
COCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003060907	1	54	0.0	-65.81	392.43	11.00	-54.81
C#CC[NH+]1CCC(C(=O)N2CCCC2(COC)C(=O)[O-])CC1	REAL300003060954	0	46	0.0	-83.67	348.79	8.63	-75.04
COCC1(C(=O)[O-])CCCN1C(=O)CCN1C=C[NH+]=C1C(C)C	REAL300003060963	1	48	0.0	-69.13	369.11	9.25	-59.88
COCC1(C(=O)[O-])CCCN1C(=O)C(C)[NH+]1CCCCCC1	REAL300003060990	0	50	0.0	-64.14	348.40	8.63	-55.51
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300003061020	1	52	0.0	-102.57	390.89	10.14	-92.43
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300003061020	1	52	0.0	-89.03	390.68	10.10	-78.93
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2(COC)C(=O)[O-])O1	REAL300003061064	0	50	0.0	-83.43	374.96	9.63	-73.80
COCC1(C(=O)[O-])CCCN1C(=O)CCCC[NH+]1CCCC1	REAL300003061065	0	50	0.0	-79.78	375.04	9.40	-70.38
COCC1(C(=O)[O-])CCCN1C(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300003061067	1	53	0.0	-82.45	398.03	9.17	-73.28
COCC1(C(=O)[O-])CCCN1C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300003061068	1	47	0.0	-70.20	360.36	9.58	-60.62
COCC1(C(=O)[O-])CCCN1C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300003061068	1	47	0.0	-70.23	360.56	9.62	-60.61
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300003061072	0	59	0.0	-93.63	424.59	10.09	-83.54
COCC1(C(=O)[O-])CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003061084	1	42	0.0	-84.89	335.93	7.76	-77.13
COCC1(C(=O)[O-])CCCN1C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300003061106	1	43	0.0	-85.67	337.04	7.88	-77.79
COCC1(C(=O)[O-])CCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300003061111	0	54	0.0	-76.21	406.72	10.99	-65.22
COCC1(C(=O)[O-])CCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300003061111	1	54	0.0	-74.99	398.76	10.95	-64.04
COCC1(C(=O)[O-])CCCN1C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003061134	0	55	0.0	-91.34	423.84	11.11	-80.23
COCC1(C(=O)[O-])CCCN1C(=O)COC1CC[NH+](C)CC1	REAL300003061146	0	48	0.0	-84.23	361.94	8.27	-75.96
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003061152	0	51	0.0	-87.22	385.04	10.41	-76.81
CCC[N@@H+]1CCCC(C(=O)N2CCCC2(COC)C(=O)[O-])C1	REAL300003061283	0	50	0.0	-63.36	357.96	9.17	-54.19
CCC[N@H+]1CCCC(C(=O)N2CCCC2(COC)C(=O)[O-])C1	REAL300003061283	1	50	0.0	-63.44	358.07	9.18	-54.26
COCC1(C(=O)[O-])CCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300003061310	0	48	0.0	-67.87	357.12	5.17	-62.70
COCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](C(C)C)C1	REAL300003061471	0	50	0.0	-65.63	352.24	8.71	-56.92
COCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](C(C)C)C1	REAL300003061471	1	50	0.0	-73.52	358.25	8.58	-64.94
COCC1(C(=O)[O-])CCCN1C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300003061472	0	44	0.0	-66.61	336.94	7.24	-59.37
COCC1(C(=O)[O-])CCCN1C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300003061472	1	44	0.0	-90.01	345.38	7.70	-82.31
COCC1(C(=O)[O-])CCCN1C(=O)CCC1=[NH+]C(C)=C(C)N1	REAL300003061495	1	45	0.0	-69.26	354.14	7.42	-61.84
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300003061871	0	50	0.0	-83.48	378.98	10.57	-72.91
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300003061877	0	51	0.0	-94.17	385.78	9.50	-84.67
COCC1(C(=O)[O-])CCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003061958	0	57	0.0	-79.74	423.45	11.96	-67.78
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300003061960	1	55	0.0	-92.84	403.13	9.87	-82.97
COCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300003061960	1	55	0.0	-92.91	403.12	9.88	-83.03
COCC1(C(=O)[O-])CCCN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300003061985	0	50	0.0	-60.67	349.26	8.30	-52.37
COCC1(C(=O)[O-])CCCN1C(=O)C1=CN2C(=C[NH+]=C2C)C=C1	REAL300003061990	0	42	0.0	-74.29	330.25	9.57	-64.72
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CC(C(=O)N1CC2CCC1C(C(=O)[O-])C2)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003070618	0	60	0.0	-55.32	423.14	13.03	-42.29
CC(C(=O)N1CC2CCC1C(C(=O)[O-])C2)[NH+]1CCSCC1	REAL300003070647	1	45	0.0	-60.49	332.03	8.82	-51.67
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CCC1C(C(=O)[O-])C2	REAL300003070654	0	50	0.0	-77.20	371.56	11.03	-66.17
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CCC1C(C(=O)[O-])C2	REAL300003070654	1	50	0.0	-61.75	374.41	11.37	-50.38
COCCOCC[N@H+](C)CCC(=O)N1CC2CCC1C(C(=O)[O-])C2	REAL300003070655	0	54	0.0	-68.22	403.13	7.54	-60.68
COCCOCC[N@@H+](C)CCC(=O)N1CC2CCC1C(C(=O)[O-])C2	REAL300003070655	1	54	0.0	-79.87	400.60	7.25	-72.62
C[N@@H+]1CCCC(O)(CC(=O)N2CC3CCC2C(C(=O)[O-])C3)C1	REAL300003070658	0	48	0.0	-72.11	333.45	6.77	-65.34
C[N@H+]1CCCC(O)(CC(=O)N2CC3CCC2C(C(=O)[O-])C3)C1	REAL300003070658	1	48	0.0	-69.39	341.98	6.91	-62.48
O=C([O-])C1CC2CCC1N(C(=O)CCC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300003070665	0	59	0.0	-74.43	429.26	11.07	-63.36
CCCCCC[N@H+](C)CC(=O)N1CC2CCC1C(C(=O)[O-])C2	REAL300003070667	0	52	0.0	-75.69	377.16	10.40	-65.29
CCCCCC[N@@H+](C)CC(=O)N1CC2CCC1C(C(=O)[O-])C2	REAL300003070667	1	52	0.0	-75.27	376.15	10.35	-64.92
C[N@H+](CC(=O)N1CC2CCC1C(C(=O)[O-])C2)C1CCSC1	REAL300003070692	0	45	0.0	-61.76	334.42	9.15	-52.61
C[N@@H+](CC(=O)N1CC2CCC1C(C(=O)[O-])C2)C1CCSC1	REAL300003070692	1	45	0.0	-65.50	334.62	9.15	-56.35
CC(C)[NH+]1CCN(CCC(=O)N2CC3CCC2C(C(=O)[O-])C3)CC1	REAL300003070705	0	55	0.0	-78.75	388.79	7.84	-70.91
CC(C)N1CC[NH+](CCC(=O)N2CC3CCC2C(C(=O)[O-])C3)CC1	REAL300003070705	1	55	0.0	-66.62	386.82	7.90	-58.72
CC(C)[NH+]1CCN(CCCC(=O)N2CC3CCC2C(C(=O)[O-])C3)CC1	REAL300003070706	0	58	0.0	-75.07	411.82	8.91	-66.16
CC(C)N1CC[NH+](CCCC(=O)N2CC3CCC2C(C(=O)[O-])C3)CC1	REAL300003070706	1	58	0.0	-70.51	408.32	8.71	-61.80
O=C([O-])C1CC2CCC1N(C(=O)C1CCCC3CCC[N@@H+]31)C2	REAL300003070707	0	48	0.0	-46.57	336.32	9.23	-37.34
O=C([O-])C1CC2CCC1N(C(=O)C1CCCC3CCC[N@H+]31)C2	REAL300003070707	1	48	0.0	-65.72	330.26	9.24	-56.48
C[NH+](C)CCN1C=C(C(=O)N2CC3CCC2C(C(=O)[O-])C3)C=N1	REAL300003070709	0	47	0.0	-94.29	351.25	7.70	-86.59
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC4CCC3C(C(=O)[O-])C4)CC2)=C1	REAL300003070712	0	59	0.0	-70.35	429.17	10.93	-59.42
O=C([O-])C1CC2CCC1N(C(=O)CC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300003070714	0	56	0.0	-70.37	407.76	10.27	-60.10
O=C([O-])C1CC2CCC1N(C(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)C2	REAL300003070716	0	53	0.0	-65.15	386.48	10.64	-54.51
O=C([O-])C1CC2CCC1N(C(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)C2	REAL300003070716	1	53	0.0	-47.76	385.27	9.94	-37.82
CC(C(=O)N1CC2CCC1C(C(=O)[O-])C2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003070721	1	51	0.0	-57.12	370.03	11.11	-46.01
CC(C(=O)N1CC2CCC1C(C(=O)[O-])C2)[N@H+]1CCC2=CC=CC=C2C1	REAL300003070721	1	51	0.0	-51.06	362.23	10.74	-40.32
O=C([O-])C1CC2CCC1N(C(=O)CC1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300003070744	0	54	0.0	-72.87	396.23	12.50	-60.37
O=C([O-])C1CC2CCC1N(C(=O)CC1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300003070744	1	54	0.0	-84.02	398.00	11.82	-72.20
C[NH+](C)CCN1C=CC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)=N1	REAL300003070757	0	47	0.0	-93.63	355.82	8.58	-85.05
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2CCC1C(C(=O)[O-])C2	REAL300003070758	0	47	0.0	-56.22	346.43	8.13	-48.09
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2CCC1C(C(=O)[O-])C2	REAL300003070759	1	48	0.0	-70.86	358.37	9.82	-61.04
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)=NN1	REAL300003070763	1	48	0.0	-83.94	354.58	7.82	-76.12
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)=NN1	REAL300003070763	1	48	0.0	-80.07	349.77	7.35	-72.72
O=C([O-])C1CC2CCC1N(C(=O)C1CCC[N@H+](CC3=CC=CC(F)=C3)C1)C2	REAL300003070772	0	54	0.0	-63.39	399.29	11.71	-51.68
O=C([O-])C1CC2CCC1N(C(=O)C1CCC[N@@H+](CC3=CC=CC(F)=C3)C1)C2	REAL300003070772	1	54	0.0	-81.18	389.06	11.69	-69.49
CC(C[NH+]1CCOCC1)C(=O)N1CC2CCC1C(C(=O)[O-])C2	REAL300003070776	1	48	0.0	-64.20	346.01	7.47	-56.73
O=C([O-])C1CC2CCC1N(C(=O)CC[NH+]1CCN(C3=CC=CC=N3)CC1)C2	REAL300003070777	0	55	0.0	-69.24	405.52	9.68	-59.56
O=C([O-])C1CC2CCC1N(C(=O)C1CC[N@@H+](C3CCCCC3)C1)C2	REAL300003070820	0	54	0.0	-64.89	375.92	10.64	-54.25
O=C([O-])C1CC2CCC1N(C(=O)C1CC[N@H+](C3CCCCC3)C1)C2	REAL300003070820	1	54	0.0	-75.45	373.19	10.32	-65.13
O=C([O-])C1CC2CCC1N(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300003070836	0	48	0.0	-69.21	331.19	8.97	-60.24
O=C([O-])C1CC2CCC1N(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300003070836	1	48	0.0	-68.85	336.85	9.38	-59.47
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC4CCC3C(C(=O)[O-])C4)=C2)CC1	REAL300003070850	0	56	0.0	-79.27	404.99	9.22	-70.05
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC4CCC3C(C(=O)[O-])C4)C=C2)CC1	REAL300003070851	0	56	0.0	-87.04	401.72	8.70	-78.34
CN1CC[NH+](CC2=CC=C(C(=O)N3CC4CCC3C(C(=O)[O-])C4)C=C2)CC1	REAL300003070851	1	56	0.0	-89.62	402.05	8.77	-80.85
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC3CCC2C(C(=O)[O-])C3)C=C1	REAL300003070852	0	57	0.0	-86.47	405.23	10.31	-76.16
CC(C)[NH+]1CCC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)CC1	REAL300003070858	0	50	0.0	-55.14	347.50	9.12	-46.02
O=C([O-])C1CC2CCC1N(C(=O)C1=CC=C(C[NH+]3CCC(CO)CC3)C=C1)C2	REAL300003070945	0	58	0.0	-91.23	417.20	8.63	-82.60
C[NH+](C)CC1=CC=CC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)=C1	REAL300003070949	0	47	0.0	-77.49	346.42	9.79	-67.70
O=C([O-])C1CC2CCC1N(C(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300003070950	0	54	0.0	-55.21	383.23	11.76	-43.45
O=C([O-])C1CC2CCC1N(C(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300003070950	1	54	0.0	-80.13	383.46	11.63	-68.50
C#CC[NH+]1CCC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)CC1	REAL300003070996	0	46	0.0	-58.93	341.52	9.32	-49.61
CC[NH+]1CCN(CCC(=O)N2CC3CCC2C(C(=O)[O-])C3)CC1	REAL300003070999	0	52	0.0	-80.29	371.55	7.29	-73.00
CCN1CC[NH+](CCC(=O)N2CC3CCC2C(C(=O)[O-])C3)CC1	REAL300003070999	1	52	0.0	-66.90	373.58	7.58	-59.32
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2CCC1C(C(=O)[O-])C2	REAL300003071006	1	48	0.0	-63.04	360.38	10.09	-52.95
CC(C(=O)N1CC2CCC1C(C(=O)[O-])C2)[NH+]1CCCCCC1	REAL300003071035	0	50	0.0	-54.28	342.13	9.23	-45.05
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4CCC3C(C(=O)[O-])C4)=CC=C1N2	REAL300003071067	1	52	0.0	-97.24	379.76	10.64	-86.60
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4CCC3C(C(=O)[O-])C4)=CC=C1N2	REAL300003071067	1	52	0.0	-96.04	378.61	10.83	-85.21
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3CCC2C(C(=O)[O-])C3)O1	REAL300003071111	0	50	0.0	-83.75	370.15	9.88	-73.87
O=C([O-])C1CC2CCC1N(C(=O)CCCC[NH+]1CCCC1)C2	REAL300003071112	0	50	0.0	-74.06	366.30	10.25	-63.81
CC1=CC=C(N2CCC(C(=O)N3CC4CCC3C(C(=O)[O-])C4)CC2)[NH+]=C1	REAL300003071114	1	53	0.0	-78.85	384.41	9.49	-69.36
C[N@H+](CC(=O)N1CC2CCC1C(C(=O)[O-])C2)CC1=CC=CC=C1	REAL300003071115	1	47	0.0	-79.01	350.10	10.23	-68.78
C[N@@H+](CC(=O)N1CC2CCC1C(C(=O)[O-])C2)CC1=CC=CC=C1	REAL300003071115	1	47	0.0	-78.42	349.08	10.18	-68.24
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC4CCC3C(C(=O)[O-])C4)C=C2)CC1	REAL300003071119	0	59	0.0	-88.14	413.09	9.88	-78.26
O=C([O-])C1CC2CCC1N(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2	REAL300003071130	1	42	0.0	-83.92	326.15	7.65	-76.27
C[NH+](C)CC1=CC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)=NO1	REAL300003071152	1	43	0.0	-82.03	327.75	7.80	-74.23
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2CCC1C(C(=O)[O-])C2	REAL300003071158	0	54	0.0	-63.09	394.89	11.93	-51.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2CCC1C(C(=O)[O-])C2	REAL300003071158	1	54	0.0	-78.77	391.69	11.60	-67.17
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC3CCC2C(C(=O)[O-])C3)C=C1	REAL300003071181	0	55	0.0	-87.49	416.47	11.35	-76.14
C[NH+]1CCC(OCC(=O)N2CC3CCC2C(C(=O)[O-])C3)CC1	REAL300003071193	0	48	0.0	-85.40	352.37	8.74	-76.66
O=C([O-])C1CC2CCC1N(C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)C2	REAL300003071199	0	51	0.0	-79.71	374.79	10.90	-68.81
CCC[N@@H+]1CCCC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)C1	REAL300003071336	0	50	0.0	-62.66	357.51	9.78	-52.88
CCC[N@H+]1CCCC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)C1	REAL300003071336	1	50	0.0	-49.07	354.58	10.13	-38.94
O=C([O-])C1CC2CCC1N(C(=O)C[NH+]1CCC(CO)CC1)C2	REAL300003071365	0	48	0.0	-63.90	348.67	6.09	-57.81
CC(C)[N@@H+]1CCCC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)C1	REAL300003071535	0	50	0.0	-52.38	338.35	9.20	-43.18
CC(C)[N@H+]1CCCC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)C1	REAL300003071535	1	50	0.0	-68.06	340.98	9.36	-58.70
C[N@@H+]1CC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)C(C(F)(F)F)C1	REAL300003071536	0	44	0.0	-84.96	334.19	8.40	-76.56
C[N@H+]1CC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)C(C(F)(F)F)C1	REAL300003071536	1	44	0.0	-86.38	331.67	8.14	-78.24
CC1=C(C)[NH+]=C(CCC(=O)N2CC3CCC2C(C(=O)[O-])C3)N1	REAL300003071560	1	45	0.0	-62.60	345.21	8.22	-54.38
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)=C1	REAL300003071934	0	50	0.0	-80.83	368.86	10.64	-70.19
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3CCC2C(C(=O)[O-])C3)C=C1	REAL300003071940	0	51	0.0	-88.42	373.76	9.23	-79.19
O=C([O-])C1CC2CCC1N(C(=O)CC1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300003072023	0	57	0.0	-76.17	412.13	12.55	-63.62
CC1C[N@H+](CC2=CC=C(C(=O)N3CC4CCC3C(C(=O)[O-])C4)C=C2)CCO1	REAL300003072025	1	55	0.0	-88.02	390.79	10.61	-77.41
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC4CCC3C(C(=O)[O-])C4)C=C2)CCO1	REAL300003072025	1	55	0.0	-85.74	392.33	10.38	-75.36
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3CCC2C(C(=O)[O-])C3)CC1	REAL300003072051	0	50	0.0	-66.90	341.21	9.26	-57.64
CC1=[NH+]C=C2C=CC(C(=O)N3CC4CCC3C(C(=O)[O-])C4)=CN21	REAL300003072056	0	42	0.0	-74.75	326.97	9.69	-65.06
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)C1	REAL300003072104	0	53	0.0	-53.46	357.20	10.06	-43.40
CC(C)C[N@H+]1CCCC(C(=O)N2CC3CCC2C(C(=O)[O-])C3)C1	REAL300003072104	1	53	0.0	-52.68	361.94	10.16	-42.52
C[NH+](C)CC1=CC=C(C(=O)N2CC3CCC2C(C(=O)[O-])C3)O1	REAL300003072109	1	44	0.0	-80.92	334.26	9.12	-71.80
O=C([O-])C1CC2CCC1N(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2	REAL300003072116	0	46	0.0	-61.67	325.38	9.30	-52.37
O=C([O-])C1CC2CCC1N(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2	REAL300003072116	1	46	0.0	-76.42	322.92	9.58	-66.84
COC1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(C(=O)[O-])C1	REAL300003073202	0	54	0.0	-86.86	397.74	10.72	-76.14
COC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C(C(=O)[O-])C1	REAL300003074527	0	48	0.0	-81.80	350.99	8.88	-72.92
COC1CCN(C(=O)C2CCC3=C[NH+]=C(C)N3C2)C(C(=O)[O-])C1	REAL300003074552	1	46	0.0	-72.09	345.26	8.45	-63.64
COC1CCN(C(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)C(C(=O)[O-])C1	REAL300003074613	1	53	0.0	-87.72	405.60	8.54	-79.18
COC1CCN(C(=O)C(C)N2CC[NH+](C)CC2)C(C(=O)[O-])C1	REAL300003074614	1	49	0.0	-76.57	355.72	5.42	-71.15
COC1CCN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300003074684	0	57	0.0	-90.04	434.08	10.55	-79.49
COC1CCN(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C(C(=O)[O-])C1	REAL300003074689	0	57	0.0	-88.56	430.90	12.59	-75.97
COC1CCN(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C(C(=O)[O-])C1	REAL300003074689	1	57	0.0	-89.27	430.92	12.59	-76.68
COC1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C(C(=O)[O-])C1	REAL300003074741	0	39	0.0	-80.57	302.86	8.94	-71.63
COC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C(C(=O)[O-])C1	REAL300003074766	0	53	0.0	-74.72	351.68	8.97	-65.75
COC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C(C(=O)[O-])C1	REAL300003074769	0	53	0.0	-75.94	378.32	9.39	-66.55
COC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C(C(=O)[O-])C1	REAL300003074769	1	53	0.0	-75.86	378.42	9.38	-66.48
COC1CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(C(=O)[O-])C1	REAL300003074830	0	47	0.0	-96.86	367.04	8.07	-88.79
COC1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C(C(=O)[O-])C1	REAL300003074846	0	55	0.0	-89.31	391.81	7.94	-81.37
COC1CCN(C(=O)CCCN2C=C[NH+]=C2C)C(C(=O)[O-])C1	REAL300003074874	1	45	0.0	-76.84	349.05	8.88	-67.96
COC1CCN(C(=O)CCCC[NH+]2CCOCC2)C(C(=O)[O-])C1	REAL300003074875	1	51	0.0	-85.17	376.34	7.58	-77.59
CC[N@H+](CC1=CC=C(C(=O)N2CCC(OC)CC2C(=O)[O-])C=C1)C(C)C	REAL300003074876	0	56	0.0	-93.60	403.56	10.74	-82.86
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(OC)CC2C(=O)[O-])C=C1)C(C)C	REAL300003074876	1	56	0.0	-92.72	391.45	10.10	-82.62
COC1CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300003074894	0	51	0.0	-74.86	379.92	10.01	-64.85
COC1CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300003074894	1	51	0.0	-76.07	379.47	10.25	-65.82
COC1CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C(C(=O)[O-])C1	REAL300003074895	0	52	0.0	-88.48	380.87	9.43	-79.05
COC1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C(C(=O)[O-])C1	REAL300003074923	0	55	0.0	-76.68	376.71	7.35	-69.33
CCC(C(=O)N1CCC(OC)CC1C(=O)[O-])[NH+](CC)CC	REAL300003074927	0	49	0.0	-58.99	340.38	7.62	-51.37
COC1CCN(C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300003074929	0	50	0.0	-58.59	366.59	9.45	-49.14
COC1CCN(C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300003074929	1	50	0.0	-67.74	370.75	9.68	-58.06
COC1CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300003074937	0	57	0.0	-79.33	422.90	11.71	-67.62
COC1CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300003074937	1	57	0.0	-81.93	421.44	11.93	-70.00
COC1CCN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C(C(=O)[O-])C1	REAL300003074953	0	46	0.0	-90.82	352.99	7.09	-83.73
CCC[NH+](CCC)CCCC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300003074960	0	55	0.0	-77.09	397.28	9.51	-67.58
COC1CCN(C(=O)CN2C=C[NH+]=C2C(C)C)C(C(=O)[O-])C1	REAL300003074968	1	45	0.0	-63.20	343.31	8.34	-54.86
COC1CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(C(=O)[O-])C1	REAL300003074981	0	51	0.0	-98.12	380.40	10.11	-88.01
COC1CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(C(=O)[O-])C1	REAL300003074986	0	54	0.0	-85.70	395.82	10.85	-74.85
CCN1CCC([NH+]2CCC(C(=O)N3CCC(OC)CC3C(=O)[O-])CC2)CC1	REAL300003074992	0	62	0.0	-83.96	430.71	8.36	-75.60
COC1CCN(C(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C(C(=O)[O-])C1	REAL300003074999	1	58	0.0	-100.08	432.11	9.91	-90.17
COC1CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])C1	REAL300003075010	1	55	0.0	-91.41	405.70	10.02	-81.39
COC1CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])C1	REAL300003075010	1	55	0.0	-88.13	412.48	10.13	-78.00
COC1CCN(C(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C(C(=O)[O-])C1	REAL300003075026	1	45	0.0	-91.50	357.94	7.81	-83.69
COC1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(C(=O)[O-])C1	REAL300003075029	0	54	0.0	-98.27	397.05	10.81	-87.46
COC1CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(C(=O)[O-])C1	REAL300003075040	1	47	0.0	-86.22	358.48	8.37	-77.85
COC1CCN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300003075041	0	50	0.0	-101.33	377.98	9.79	-91.54
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300003075046	1	43	0.0	-65.83	331.32	6.17	-59.66
COC1CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])C1	REAL300003075047	1	52	0.0	-87.86	390.05	9.13	-78.73
COC1CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])C1	REAL300003075047	1	52	0.0	-74.80	382.44	8.87	-65.93
COC1CCN(C(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)C(C(=O)[O-])C1	REAL300003075057	0	60	0.0	-68.03	433.99	12.15	-55.88
COC1CCN(C(=O)C(C)[NH+]2CCSCC2)C(C(=O)[O-])C1	REAL300003075086	1	45	0.0	-46.29	336.08	7.01	-39.28
COC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C(C(=O)[O-])C1	REAL300003075092	0	49	0.0	-61.52	344.59	7.99	-53.53
COC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C(C(=O)[O-])C1	REAL300003075092	1	49	0.0	-67.84	350.36	8.53	-59.31
COC1CCN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300003075094	0	50	0.0	-69.77	379.02	10.10	-59.67
COC1CCN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300003075094	1	50	0.0	-69.10	377.22	10.23	-58.87
COCCOCC[N@H+](C)CCC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300003075095	0	54	0.0	-75.00	407.93	6.44	-68.56
COCCOCC[N@@H+](C)CCC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300003075095	1	54	0.0	-77.25	408.19	6.43	-70.82
COC1CCN(C(=O)CC2(O)CCC[N@H+](C)C2)C(C(=O)[O-])C1	REAL300003075098	0	48	0.0	-77.36	337.62	5.50	-71.86
COC1CCN(C(=O)CC2(O)CCC[N@@H+](C)C2)C(C(=O)[O-])C1	REAL300003075098	1	48	0.0	-75.80	347.36	5.64	-70.16
COC1CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(C(=O)[O-])C1	REAL300003075105	0	59	0.0	-82.98	432.36	10.13	-72.85
CCCCCC[N@H+](C)CC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300003075107	0	52	0.0	-68.41	381.80	9.56	-58.85
CCCCCC[N@@H+](C)CC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300003075107	1	52	0.0	-68.14	381.88	9.57	-58.57
COC1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C(C(=O)[O-])C1	REAL300003075117	1	39	0.0	-90.46	303.07	8.90	-81.56
COC1CCN(C(=O)C[N@H+](C)C2CCSC2)C(C(=O)[O-])C1	REAL300003075133	0	45	0.0	-71.31	337.57	7.99	-63.32
COC1CCN(C(=O)C[N@@H+](C)C2CCSC2)C(C(=O)[O-])C1	REAL300003075133	1	45	0.0	-69.77	337.50	8.07	-61.70
COC1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)C(C(=O)[O-])C1	REAL300003075147	0	55	0.0	-81.08	395.34	6.98	-74.10
COC1CCN(C(=O)CC[NH+]2CCN(C(C)C)CC2)C(C(=O)[O-])C1	REAL300003075147	1	55	0.0	-75.28	392.81	7.14	-68.14
COC1CCN(C(=O)CCCN2CC[NH+](C(C)C)CC2)C(C(=O)[O-])C1	REAL300003075148	0	58	0.0	-80.89	415.00	7.90	-72.99
COC1CCN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)C(C(=O)[O-])C1	REAL300003075148	1	58	0.0	-79.22	411.42	7.75	-71.47
COC1CCN(C(=O)C2CCCC3CCC[N@@H+]32)C(C(=O)[O-])C1	REAL300003075149	0	48	0.0	-68.12	333.71	7.92	-60.20
COC1CCN(C(=O)C2CCCC3CCC[N@H+]32)C(C(=O)[O-])C1	REAL300003075149	1	48	0.0	-62.26	341.56	8.33	-53.93
COC1CCN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C(C(=O)[O-])C1	REAL300003075151	0	47	0.0	-89.85	364.71	7.51	-82.34
COC1CCN(C(=O)CC[NH+]2CCN(C3=CC=CC(C)=C3)CC2)C(C(=O)[O-])C1	REAL300003075154	0	59	0.0	-79.12	434.13	9.88	-69.24
COC1CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C(C(=O)[O-])C1	REAL300003075156	0	56	0.0	-78.63	410.87	9.33	-69.30
COC1CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(C(=O)[O-])C1	REAL300003075158	0	53	0.0	-73.31	386.04	9.30	-64.01
COC1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(C(=O)[O-])C1	REAL300003075158	1	53	0.0	-65.70	384.22	8.96	-56.74
COC1CCN(C(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(C(=O)[O-])C1	REAL300003075163	1	51	0.0	-56.27	375.50	9.67	-46.60
COC1CCN(C(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(C(=O)[O-])C1	REAL300003075163	1	51	0.0	-56.54	374.50	9.68	-46.86
COC1CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300003075186	0	54	0.0	-83.24	400.75	11.01	-72.23
COC1CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300003075186	1	54	0.0	-84.05	404.59	11.03	-73.02
COC1CCN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300003075199	0	47	0.0	-103.49	359.69	7.78	-95.71
COC1CCN(C(=O)C2=CC=NN2CC[NH+](C)C)C(C(=O)[O-])C1	REAL300003075200	0	47	0.0	-58.70	357.99	6.56	-52.14
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(OC)CC1C(=O)[O-]	REAL300003075201	1	48	0.0	-71.05	364.11	9.02	-62.03
COC1CCN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C(C(=O)[O-])C1	REAL300003075206	1	48	0.0	-90.16	363.07	7.21	-82.95
COC1CCN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C(C(=O)[O-])C1	REAL300003075206	1	48	0.0	-91.78	360.85	7.27	-84.51
COC1CCN(C(=O)C2C[N@H+](C)CC(C)O2)C(C(=O)[O-])C1	REAL300003075211	1	45	0.0	-89.92	327.81	6.28	-83.64
COC1CCN(C(=O)C2C[N@@H+](C)CC(C)O2)C(C(=O)[O-])C1	REAL300003075211	1	45	0.0	-73.90	325.10	6.15	-67.75
COC1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C(C(=O)[O-])C1	REAL300003075215	0	54	0.0	-73.50	397.51	11.13	-62.37
COC1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C(C(=O)[O-])C1	REAL300003075215	1	54	0.0	-64.27	395.77	10.88	-53.39
COC1CCN(C(=O)C(C)C[NH+]2CCOCC2)C(C(=O)[O-])C1	REAL300003075220	1	48	0.0	-75.00	345.36	6.19	-68.81
COC1CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C(C(=O)[O-])C1	REAL300003075221	0	55	0.0	-77.52	408.62	8.76	-68.76
CC[N@@H+]1CCOC(C(=O)N2CCC(OC)CC2C(=O)[O-])C1	REAL300003075240	1	45	0.0	-90.65	330.95	6.22	-84.43
CC[N@H+]1CCOC(C(=O)N2CCC(OC)CC2C(=O)[O-])C1	REAL300003075240	1	45	0.0	-89.38	328.48	6.30	-83.08
COC1CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C(C(=O)[O-])C1	REAL300003075266	0	54	0.0	-74.49	379.47	9.67	-64.82
COC1CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C(C(=O)[O-])C1	REAL300003075266	1	54	0.0	-75.47	378.18	9.53	-65.94
COC1CCN(C(=O)C2CCC3CCCC[N@@H+]32)C(C(=O)[O-])C1	REAL300003075282	0	48	0.0	-64.31	343.67	8.46	-55.85
COC1CCN(C(=O)C2CCC3CCCC[N@H+]32)C(C(=O)[O-])C1	REAL300003075282	1	48	0.0	-67.49	337.83	8.15	-59.34
COC1CCN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C(C(=O)[O-])C1	REAL300003075296	0	56	0.0	-92.75	412.93	8.42	-84.33
COC1CCN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C(C(=O)[O-])C1	REAL300003075297	0	56	0.0	-94.62	414.20	8.39	-86.23
COC1CCN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C(C(=O)[O-])C1	REAL300003075297	1	56	0.0	-99.17	413.58	8.25	-90.92
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(OC)CC2C(=O)[O-])C=C1	REAL300003075298	0	57	0.0	-97.10	420.43	10.10	-87.00
COC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C(C(=O)[O-])C1	REAL300003075305	0	50	0.0	-80.78	354.60	8.32	-72.46
COC1CCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C(C(=O)[O-])C1	REAL300003075395	0	58	0.0	-100.63	428.83	8.12	-92.51
COC1CCN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C(C(=O)[O-])C1	REAL300003075399	0	47	0.0	-86.19	354.26	9.00	-77.19
COC1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300003075400	0	54	0.0	-66.68	391.03	10.68	-56.00
COC1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])C1	REAL300003075400	1	54	0.0	-66.40	390.89	10.66	-55.74
C#CC[NH+]1CCC(C(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300003075448	0	46	0.0	-85.30	346.72	8.40	-76.90
CC[NH+]1CCN(CCC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300003075451	0	52	0.0	-82.81	378.59	6.47	-76.34
CCN1CC[NH+](CCC(=O)N2CCC(OC)CC2C(=O)[O-])CC1	REAL300003075451	1	52	0.0	-75.22	376.17	6.59	-68.63
COC1CCN(C(=O)CCN2C=C[NH+]=C2C(C)C)C(C(=O)[O-])C1	REAL300003075458	1	48	0.0	-69.52	365.37	8.95	-60.57
COC1CCN(C(=O)C(C)[NH+]2CCCCCC2)C(C(=O)[O-])C1	REAL300003075486	0	50	0.0	-61.59	342.01	8.00	-53.59
COC1CCN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C(C(=O)[O-])C1	REAL300003075517	1	52	0.0	-92.69	390.29	9.54	-83.15
COC1CCN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C(C(=O)[O-])C1	REAL300003075517	1	52	0.0	-82.85	395.34	9.83	-73.02
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(OC)CC2C(=O)[O-])O1	REAL300003075561	0	50	0.0	-91.29	375.16	9.18	-82.11
COC1CCN(C(=O)CCCC[NH+]2CCCC2)C(C(=O)[O-])C1	REAL300003075562	0	50	0.0	-82.94	367.78	9.19	-73.75
COC1CCN(C(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)C(C(=O)[O-])C1	REAL300003075564	1	53	0.0	-84.78	388.53	8.76	-76.02
COC1CCN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300003075565	1	47	0.0	-70.95	354.81	9.41	-61.54
COC1CCN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])C1	REAL300003075565	1	47	0.0	-70.54	356.65	9.23	-61.31
COC1CCN(C(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)C(C(=O)[O-])C1	REAL300003075569	0	59	0.0	-99.36	420.35	9.52	-89.84
COC1CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(C(=O)[O-])C1	REAL300003075581	1	42	0.0	-88.01	339.68	7.44	-80.57
COC1CCN(C(=O)C2=NOC(C[NH+](C)C)=C2)C(C(=O)[O-])C1	REAL300003075603	1	43	0.0	-86.43	335.95	7.14	-79.29
COC1CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C(C(=O)[O-])C1	REAL300003075608	0	54	0.0	-73.68	397.71	10.71	-62.97
COC1CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C(C(=O)[O-])C1	REAL300003075608	1	54	0.0	-84.10	400.86	10.81	-73.29
COC1CCN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300003075631	0	55	0.0	-95.79	418.70	10.17	-85.62
COC1CCN(C(=O)COC2CC[NH+](C)CC2)C(C(=O)[O-])C1	REAL300003075643	0	48	0.0	-90.51	358.02	7.61	-82.90
COC1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(C(=O)[O-])C1	REAL300003075649	0	51	0.0	-92.24	380.10	9.55	-82.69
CCC[N@@H+]1CCCC(C(=O)N2CCC(OC)CC2C(=O)[O-])C1	REAL300003075785	0	50	0.0	-59.86	353.77	8.51	-51.35
CCC[N@H+]1CCCC(C(=O)N2CCC(OC)CC2C(=O)[O-])C1	REAL300003075785	1	50	0.0	-66.70	354.56	8.52	-58.18
COC1CCN(C(=O)C[NH+]2CCC(CO)CC2)C(C(=O)[O-])C1	REAL300003075812	0	48	0.0	-67.26	353.32	4.79	-62.47
COC1CCN(C(=O)C2CCC[N@@H+](C(C)C)C2)C(C(=O)[O-])C1	REAL300003075983	0	50	0.0	-60.81	347.17	8.43	-52.38
COC1CCN(C(=O)C2CCC[N@H+](C(C)C)C2)C(C(=O)[O-])C1	REAL300003075983	1	50	0.0	-60.76	347.76	8.37	-52.39
COC1CCN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C(C(=O)[O-])C1	REAL300003075984	0	44	0.0	-74.06	325.62	7.29	-66.77
COC1CCN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(C(=O)[O-])C1	REAL300003075984	1	44	0.0	-78.47	327.35	6.93	-71.54
COC1CCN(C(=O)CCC2=[NH+]C(C)=C(C)N2)C(C(=O)[O-])C1	REAL300003076008	1	45	0.0	-70.77	348.38	7.25	-63.52
COC1CCN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(C(=O)[O-])C1	REAL300003076392	0	50	0.0	-89.05	376.75	9.84	-79.21
COC1CCN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(C(=O)[O-])C1	REAL300003076399	0	51	0.0	-98.49	385.31	8.74	-89.75
COC1CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C(C(=O)[O-])C1	REAL300003076481	0	57	0.0	-80.54	417.85	11.76	-68.78
COC1CCN(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C(C(=O)[O-])C1	REAL300003076483	1	55	0.0	-96.65	409.08	9.29	-87.36
COC1CCN(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C(C(=O)[O-])C1	REAL300003076483	1	55	0.0	-99.99	402.12	9.28	-90.71
COC1CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(C(=O)[O-])C1	REAL300003076511	0	50	0.0	-67.96	344.94	7.99	-59.97
COC1CCN(C(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C(C(=O)[O-])C1	REAL300003076516	0	42	0.0	-77.55	330.36	8.81	-68.74
COC1CCN(C(=O)C2CCC[N@H+](CC(C)C)C2)C(C(=O)[O-])C1	REAL300003076565	0	53	0.0	-61.46	370.09	9.25	-52.21
COC1CCN(C(=O)C2CCC[N@@H+](CC(C)C)C2)C(C(=O)[O-])C1	REAL300003076565	1	53	0.0	-62.08	365.88	9.26	-52.82
COC1CCN(C(=O)C2=CC=C(C[NH+](C)C)O2)C(C(=O)[O-])C1	REAL300003076571	1	44	0.0	-94.19	338.51	7.67	-86.52
COC1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C(C(=O)[O-])C1	REAL300003076579	0	46	0.0	-72.48	334.51	7.87	-64.61
COC1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C(C(=O)[O-])C1	REAL300003076579	1	46	0.0	-74.62	333.14	7.94	-66.68
O=C([O-])C1=CN(C2CCN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)CC2)N=N1	REAL300003077576	0	56	0.0	-83.96	428.94	10.03	-73.93
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CC2)N=N1	REAL300003078132	0	53	0.0	-77.35	405.98	9.08	-68.27
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CC2)N=N1	REAL300003078132	1	53	0.0	-76.47	413.58	9.60	-66.87
O=C([O-])C1=CN(C2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)N=N1	REAL300003078962	0	50	0.0	-79.72	383.46	7.97	-71.75
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2)N=N1	REAL300003078987	0	47	0.0	-73.82	363.55	7.30	-66.52
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2)N=N1	REAL300003078987	1	47	0.0	-73.75	358.69	7.15	-66.60
CC1=[NH+]C=C2CCC(C(=O)N3CCC(N4C=C(C(=O)[O-])N=N4)CC3)CN21	REAL300003078993	1	48	0.0	-71.83	376.52	7.54	-64.29
O=C([O-])C1=CN(C2CCN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)CC2)N=N1	REAL300003078994	0	56	0.0	-80.13	421.96	9.50	-70.63
C[N@@H+]1CCCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079072	0	46	0.0	-76.63	349.30	6.53	-70.10
C[N@H+]1CCCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079072	1	46	0.0	-75.71	339.02	6.03	-69.68
CC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)N1CC[NH+](C)CC1	REAL300003079073	1	51	0.0	-78.26	377.25	4.55	-73.71
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079113	0	46	0.0	-76.69	349.28	6.52	-70.17
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079113	1	46	0.0	-76.42	339.10	6.09	-70.33
C[NH+]1CCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC1	REAL300003079199	0	46	0.0	-83.58	353.65	6.56	-77.02
O=C([O-])C1=CN(C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)N=N1	REAL300003079229	0	41	0.0	-78.98	338.95	8.15	-70.83
C[NH+](C)CC1(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CCCCC1	REAL300003079263	0	55	0.0	-75.79	381.57	7.75	-68.04
C[N@H+](CCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)C1CCCCC1	REAL300003079268	0	55	0.0	-82.04	408.10	8.62	-73.42
C[N@@H+](CCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)C1CCCCC1	REAL300003079268	1	55	0.0	-81.61	408.12	8.65	-72.96
C[N@@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079284	0	43	0.0	-79.41	328.43	5.50	-73.91
C[N@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079284	1	43	0.0	-76.35	331.45	5.82	-70.53
C[NH+]1CCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC1	REAL300003079339	0	46	0.0	-83.58	353.65	6.56	-77.02
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)CC2)N=N1	REAL300003079343	0	49	0.0	-80.37	399.37	7.32	-73.05
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CC2)N=N1	REAL300003079362	0	56	0.0	-73.46	399.05	8.55	-64.91
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@H+]3C3CCCC3)CC2)N=N1	REAL300003079362	1	56	0.0	-72.92	404.29	8.77	-64.15
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)CC2)N=N1	REAL300003079363	0	57	0.0	-83.94	421.55	7.18	-76.76
CC1=[NH+]C=CN1CCCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079399	1	47	0.0	-76.22	380.68	7.93	-68.29
O=C([O-])C1=CN(C2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)N=N1	REAL300003079400	1	53	0.0	-83.04	407.94	6.63	-76.41
CC[N@H+](CC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C=C1)C(C)C	REAL300003079403	0	58	0.0	-82.59	434.35	9.75	-72.84
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C=C1)C(C)C	REAL300003079403	1	58	0.0	-82.12	427.22	9.37	-72.75
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079406	0	43	0.0	-77.32	328.77	5.51	-71.81
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079406	1	43	0.0	-75.66	331.12	5.78	-69.88
C[NH+](C)C1(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC1	REAL300003079415	0	43	0.0	-77.87	328.53	5.45	-72.42
O=C([O-])C1=CN(C2CCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CC2)N=N1	REAL300003079460	0	53	0.0	-81.57	411.90	9.35	-72.22
O=C([O-])C1=CN(C2CCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CC2)N=N1	REAL300003079460	1	53	0.0	-82.36	409.56	9.26	-73.10
O=C([O-])C1=CN(C2CCN(C(=O)C3CC[NH+](C4CCSC4)CC3)CC2)N=N1	REAL300003079461	0	54	0.0	-88.49	413.37	8.79	-79.70
O=C([O-])C1=CN(C2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CC2)N=N1	REAL300003079484	0	57	0.0	-80.38	406.51	6.90	-73.48
CCC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[NH+](CC)CC	REAL300003079488	0	51	0.0	-77.43	371.06	7.27	-70.16
CC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300003079490	0	52	0.0	-78.74	403.01	8.98	-69.76
CC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300003079490	1	52	0.0	-79.81	402.07	8.91	-70.90
C[NH+](C)CC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C=N1	REAL300003079520	0	48	0.0	-83.03	383.96	6.36	-76.67
CCC[NH+](CCC)CCCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079526	0	57	0.0	-80.52	427.77	8.96	-71.56
CC[N@H+](C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)C1=CC=CC=C1	REAL300003079527	0	52	0.0	-73.31	397.06	8.91	-64.40
CC[N@@H+](C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)C1=CC=CC=C1	REAL300003079527	1	52	0.0	-76.74	398.97	8.90	-67.84
C[N@@H+]1CCOC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003079529	1	44	0.0	-85.28	335.63	5.06	-80.22
C[N@H+]1CCOC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003079529	1	44	0.0	-91.15	342.53	5.23	-85.92
CC[NH+](CC)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)C1=CC=CC=C1	REAL300003079531	0	55	0.0	-74.03	407.13	9.37	-64.66
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079540	1	47	0.0	-74.18	375.50	7.72	-66.46
C[NH+](C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300003079545	1	49	0.0	-82.96	397.65	8.76	-74.20
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)CC2)N=N1	REAL300003079558	0	53	0.0	-85.01	412.55	9.32	-75.69
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)CC2)N=N1	REAL300003079565	0	56	0.0	-78.98	429.29	10.03	-68.95
CCC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[N@@H+]1CCOC(CC)C1	REAL300003079567	1	56	0.0	-76.67	414.67	7.00	-69.67
CCC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[N@H+]1CCOC(CC)C1	REAL300003079567	1	56	0.0	-77.60	404.58	6.82	-70.78
C[NH+](C)CC1(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC1	REAL300003079569	0	46	0.0	-76.27	353.50	6.37	-69.90
C[NH+](C)CCCCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079577	0	48	0.0	-80.93	375.04	7.18	-73.75
CC(C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[NH+](C)C	REAL300003079586	0	48	0.0	-76.37	353.25	6.63	-69.74
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)CC2)N=N1	REAL300003079599	0	56	0.0	-74.21	425.81	10.07	-64.14
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)CC2)N=N1	REAL300003079599	1	56	0.0	-76.25	415.69	9.66	-66.59
CC1=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C=NN1C1=CC=[NH+]C=C1	REAL300003079601	1	47	0.0	-83.83	386.13	6.60	-77.23
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)CC2)N=N1	REAL300003079609	0	56	0.0	-85.50	429.29	10.03	-75.47
O=C([O-])C1=CN(C2CCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)CC2)N=N1	REAL300003079622	1	49	0.0	-82.95	391.10	7.45	-75.50
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C=C1	REAL300003079623	0	52	0.0	-86.68	410.23	9.02	-77.66
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079634	1	45	0.0	-71.37	362.68	5.64	-65.73
O=C([O-])C1=CN(C2CCN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)CC2)N=N1	REAL300003079636	1	54	0.0	-88.14	412.70	8.64	-79.50
O=C([O-])C1=CN(C2CCN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)CC2)N=N1	REAL300003079636	1	54	0.0	-91.52	420.17	8.82	-82.70
CCC[N@H+](C)CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079645	0	45	0.0	-79.80	348.93	6.41	-73.39
CCC[N@@H+](C)CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079645	1	45	0.0	-79.90	348.93	6.41	-73.49
C[N@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)C1CCC1	REAL300003079667	0	46	0.0	-77.09	355.84	6.96	-70.13
C[N@@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)C1CCC1	REAL300003079667	1	46	0.0	-77.88	355.93	6.97	-70.91
CC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[NH+]1CCSCC1	REAL300003079691	1	47	0.0	-78.91	366.63	6.91	-72.00
C[N@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)CC(C)(C)C	REAL300003079695	0	51	0.0	-79.56	377.53	7.38	-72.18
C[N@@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)CC(C)(C)C	REAL300003079695	1	51	0.0	-79.68	379.48	7.53	-72.15
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079697	0	52	0.0	-84.00	408.84	9.42	-74.58
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079697	1	52	0.0	-83.79	408.88	9.42	-74.37
COCCOCC[N@H+](C)CCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079698	0	56	0.0	-81.73	437.83	5.64	-76.09
COCCOCC[N@@H+](C)CCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079698	1	56	0.0	-81.87	437.89	5.66	-76.21
CC[C@@H](C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[NH+](C)C	REAL300003079702	0	45	0.0	-75.49	340.41	6.04	-69.45
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003079704	0	50	0.0	-73.40	370.16	5.18	-68.22
C[N@H+]1CCCC(O)(CC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003079704	1	50	0.0	-78.81	367.39	5.26	-73.55
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)CC2)N=N1	REAL300003079725	1	55	0.0	-79.81	422.00	8.40	-71.41
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)CC2)N=N1	REAL300003079725	1	55	0.0	-80.22	410.63	7.85	-72.37
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CN=C3)CC2)N=N1	REAL300003079726	1	55	0.0	-79.84	421.87	8.38	-71.46
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=CN=C3)CC2)N=N1	REAL300003079726	1	55	0.0	-76.68	420.61	8.21	-68.47
CCCCCC[N@H+](C)CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079728	0	54	0.0	-80.96	413.43	8.75	-72.21
CCCCCC[N@@H+](C)CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079728	1	54	0.0	-81.12	413.43	8.75	-72.37
O=C([O-])C1=CN(C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)N=N1	REAL300003079738	0	47	0.0	-73.99	347.41	6.34	-67.65
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2)N=N1	REAL300003079746	1	41	0.0	-81.81	344.30	8.37	-73.44
C[N@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)C1CCSC1	REAL300003079759	0	47	0.0	-84.18	369.19	7.22	-76.96
C[N@@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)C1CCSC1	REAL300003079759	1	47	0.0	-84.91	370.44	7.20	-77.71
CC(C)[NH+]1CCN(CCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC1	REAL300003079776	0	57	0.0	-79.56	423.85	6.05	-73.51
CC(C)N1CC[NH+](CCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC1	REAL300003079776	1	57	0.0	-82.10	421.54	6.01	-76.09
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC1	REAL300003079777	0	60	0.0	-77.07	446.52	7.02	-70.05
CC(C)N1CC[NH+](CCCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC1	REAL300003079777	1	60	0.0	-81.21	445.94	6.99	-74.22
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC4CCC[N@@H+]43)CC2)N=N1	REAL300003079778	0	50	0.0	-74.05	363.20	7.14	-66.91
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC4CCC[N@H+]43)CC2)N=N1	REAL300003079778	1	50	0.0	-70.97	374.34	7.72	-63.25
C[NH+](C)CCN1C=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C=N1	REAL300003079780	0	49	0.0	-92.05	391.14	6.15	-85.90
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)CC2)N=N1	REAL300003079791	0	55	0.0	-82.43	424.25	8.27	-74.16
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)CC2)N=N1	REAL300003079791	1	55	0.0	-82.73	415.06	8.10	-74.63
CC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003079796	0	53	0.0	-79.45	403.57	9.28	-70.17
CC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003079796	1	53	0.0	-78.93	403.25	9.31	-69.62
CCC(CC)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[NH+]1CCOCC1	REAL300003079814	1	59	0.0	-73.23	414.91	6.91	-66.32
CCCC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[NH+](C)C	REAL300003079815	0	48	0.0	-77.99	359.26	6.68	-71.31
O=C([O-])C1=CN(C2CCN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)CC2)N=N1	REAL300003079816	0	56	0.0	-83.82	434.53	10.25	-73.57
O=C([O-])C1=CN(C2CCN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)CC2)N=N1	REAL300003079816	1	56	0.0	-84.13	434.73	10.29	-73.84
C[NH+](C)CCN1C=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)=N1	REAL300003079831	0	49	0.0	-85.34	391.25	6.77	-78.57
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079832	0	49	0.0	-74.26	387.21	6.18	-68.08
C[C@@H]1[C@H](C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC[N@@H+]1C	REAL300003079835	0	46	0.0	-79.03	343.08	6.26	-72.77
C[C@@H]1[C@H](C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC[N@H+]1C	REAL300003079835	1	46	0.0	-82.20	351.59	6.21	-75.99
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079837	1	50	0.0	-73.36	395.65	8.25	-65.11
CC[C@@H]1[C@@H](C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC[N@@H+]1C	REAL300003079840	0	49	0.0	-79.07	367.30	6.64	-72.43
CC[C@@H]1[C@@H](C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC[N@H+]1C	REAL300003079840	1	49	0.0	-78.39	374.72	7.23	-71.16
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)=NN1	REAL300003079842	1	50	0.0	-82.17	387.67	5.85	-76.32
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)=NN1	REAL300003079842	1	50	0.0	-82.18	385.34	5.81	-76.37
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079843	1	45	0.0	-76.80	354.80	6.74	-70.06
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079843	1	45	0.0	-76.48	358.18	7.11	-69.37
CC1C[N@H+](C)CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)O1	REAL300003079849	1	47	0.0	-89.84	364.39	5.99	-83.85
CC1C[N@@H+](C)CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)O1	REAL300003079849	1	47	0.0	-91.47	357.20	5.58	-85.89
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)CC2)N=N1	REAL300003079856	1	52	0.0	-74.74	407.56	8.02	-66.72
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)CC2)N=N1	REAL300003079856	1	52	0.0	-74.98	401.76	7.28	-67.70
O=C([O-])C1=CN(C2CCN(C(=O)C[NH+]3CCCC3)CC2)N=N1	REAL300003079859	0	43	0.0	-78.88	333.86	6.10	-72.78
CC1=[NH+]C=CN1CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079861	1	41	0.0	-75.39	338.09	6.55	-68.84
CC(C[NH+]1CCOCC1)C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079863	0	50	0.0	-84.27	379.38	5.57	-78.70
CC1CC[NH+](CC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC1	REAL300003079882	0	49	0.0	-80.27	372.60	7.48	-72.79
CC[N@@H+]1CCOC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003079893	1	47	0.0	-84.39	360.29	5.89	-78.50
CC[N@H+]1CCOC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003079893	1	47	0.0	-84.31	360.26	5.88	-78.43
O=C([O-])C1=CN(C2CCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)CC2)N=N1	REAL300003079930	0	56	0.0	-80.32	412.59	8.81	-71.51
O=C([O-])C1=CN(C2CCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)CC2)N=N1	REAL300003079930	1	56	0.0	-77.39	414.35	8.85	-68.54
C[N@@H+]1CCCC1CCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079936	0	49	0.0	-81.05	377.03	7.52	-73.53
C[N@H+]1CCCC1CCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079936	1	49	0.0	-77.94	371.62	7.07	-70.87
O=C([O-])C1=CN(C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)N=N1	REAL300003079948	0	50	0.0	-78.35	357.52	6.65	-71.70
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079950	0	47	0.0	-77.54	350.67	2.39	-75.15
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079950	1	47	0.0	-75.10	348.22	2.18	-72.92
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC4CCCC[N@@H+]43)CC2)N=N1	REAL300003079951	0	50	0.0	-75.81	370.04	7.46	-68.35
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC4CCCC[N@H+]43)CC2)N=N1	REAL300003079951	1	50	0.0	-74.16	369.20	7.49	-66.67
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079958	0	53	0.0	-79.04	380.53	5.56	-73.48
CC[NH+](CC)CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003079974	0	45	0.0	-77.41	345.43	6.33	-71.08
CC(C)[NH+]1CCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC1	REAL300003079976	0	52	0.0	-79.81	384.28	7.51	-72.30
O=C([O-])C1=CN(C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)N=N1	REAL300003080057	0	44	0.0	-80.63	333.77	5.26	-75.37
CCC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[NH+](C)C	REAL300003080060	0	45	0.0	-76.13	339.64	6.00	-70.13
O=C([O-])C1=CN(C2CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2)N=N1	REAL300003080068	0	47	0.0	-78.65	343.27	5.85	-72.80
O=C([O-])C1=CN(C2CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2)N=N1	REAL300003080068	1	47	0.0	-79.55	343.32	5.87	-73.68
CC1CCC(C)[NH+]1CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080113	0	49	0.0	-75.87	366.82	6.99	-68.88
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)=C1	REAL300003080114	0	49	0.0	-79.72	386.50	8.14	-71.58
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)CC2)N=N1	REAL300003080115	0	56	0.0	-75.91	421.27	10.15	-65.76
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)CC2)N=N1	REAL300003080115	1	56	0.0	-82.77	422.44	10.24	-72.53
C[NH+](C)C1(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CCC1	REAL300003080153	0	46	0.0	-77.11	334.02	5.88	-71.23
C#CC[NH+]1CCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC1	REAL300003080181	0	48	0.0	-84.25	377.94	7.72	-76.53
CCC[N@@H+]1CCCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080183	0	52	0.0	-78.24	381.37	7.60	-70.64
CCC[N@H+]1CCCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080183	1	52	0.0	-75.81	388.67	7.92	-67.89
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080184	0	49	0.0	-77.93	384.87	8.19	-69.74
CC[NH+]1CCN(CCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC1	REAL300003080186	0	54	0.0	-80.09	407.77	5.65	-74.44
CCN1CC[NH+](CCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC1	REAL300003080186	1	54	0.0	-82.08	408.30	5.69	-76.39
CC(C)[N@H+](C)CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080187	0	45	0.0	-76.89	344.16	6.18	-70.71
CC(C)[N@@H+](C)CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080187	1	45	0.0	-77.36	344.12	6.19	-71.17
CC(C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[NH+]1CCCCC1	REAL300003080188	0	55	0.0	-75.89	390.94	8.49	-67.40
C[NH+](C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)C1=CC=CC=C1	REAL300003080189	1	49	0.0	-74.21	377.83	8.19	-66.02
O=C([O-])C1=CN(C2CCN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)CC2)N=N1	REAL300003080193	0	54	0.0	-82.17	421.21	6.33	-75.84
O=C([O-])C1=CN(C2CCN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)CC2)N=N1	REAL300003080193	1	54	0.0	-78.25	420.71	6.37	-71.88
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080198	1	50	0.0	-73.37	395.15	8.19	-65.18
C[NH+](C)CC1=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)OC2=CC=CC=C21	REAL300003080200	0	52	0.0	-72.07	412.06	8.77	-63.30
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC2)N=N1	REAL300003080206	0	53	0.0	-74.36	388.94	8.33	-66.03
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@H+]3C3CCCC3)CC2)N=N1	REAL300003080206	1	53	0.0	-74.31	393.93	8.38	-65.93
CC[N@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)C1CC1	REAL300003080208	0	46	0.0	-75.64	358.30	7.02	-68.62
CC[N@@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)C1CC1	REAL300003080208	1	46	0.0	-76.79	352.97	6.73	-70.06
CC(C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[NH+]1CC(C)OC(C)C1	REAL300003080235	1	59	0.0	-77.30	424.06	7.47	-69.83
CC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[NH+]1CCCCCC1	REAL300003080236	0	52	0.0	-73.98	377.41	7.44	-66.54
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080240	0	43	0.0	-75.07	331.49	5.75	-69.32
C[N@H+]1CCC[C@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080240	1	43	0.0	-78.81	328.12	5.52	-73.29
CC(C)(C)[NH2+]CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080323	0	45	0.0	-78.72	348.65	4.71	-74.01
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)O1	REAL300003080325	0	52	0.0	-82.03	406.98	8.19	-73.84
O=C([O-])C1=CN(C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)N=N1	REAL300003080326	0	52	0.0	-79.76	400.29	8.30	-71.46
CC1=CC=C(N2CCC(C(=O)N3CCC(N4C=C(C(=O)[O-])N=N4)CC3)CC2)[NH+]=C1	REAL300003080328	1	55	0.0	-77.54	423.06	7.97	-69.57
C[N@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)CC1=CC=CC=C1	REAL300003080329	1	49	0.0	-84.19	386.36	8.57	-75.62
C[N@@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)CC1=CC=CC=C1	REAL300003080329	1	49	0.0	-84.44	386.35	8.58	-75.86
CC(C)[C@@H](C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1)[NH+](C)C	REAL300003080340	0	48	0.0	-78.92	348.71	6.60	-72.32
O=C([O-])C1=CN(C2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC2)N=N1	REAL300003080358	1	44	0.0	-82.90	367.14	6.14	-76.76
C[NH+](C)CC1=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)=NO1	REAL300003080385	1	45	0.0	-84.90	365.95	6.34	-78.56
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080389	0	56	0.0	-88.89	431.68	9.87	-79.02
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080389	1	56	0.0	-87.67	432.00	9.88	-77.79
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080402	0	49	0.0	-74.97	356.50	7.19	-67.78
CC(C)[N@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080402	1	49	0.0	-74.09	365.09	6.90	-67.19
C[NH+]1CCC(OCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC1	REAL300003080425	0	50	0.0	-84.19	389.61	7.15	-77.04
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)CC2)N=N1	REAL300003080429	0	53	0.0	-80.91	411.72	8.51	-72.40
CCC[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003080612	0	52	0.0	-77.78	391.96	7.86	-69.92
CCC[N@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003080612	1	52	0.0	-81.47	393.25	7.94	-73.53
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080643	0	52	0.0	-77.07	380.67	8.09	-68.98
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300003080643	1	52	0.0	-75.51	390.90	7.98	-67.53
O=C([O-])C1=CN(C2CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)N=N1	REAL300003080644	0	50	0.0	-82.59	383.10	4.16	-78.43
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003080867	0	52	0.0	-70.92	378.86	7.81	-63.11
CC(C)[N@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003080867	1	52	0.0	-72.99	377.29	7.53	-65.46
C[N@@H+]1CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C(C(F)(F)F)C1	REAL300003080868	0	46	0.0	-87.66	360.03	7.00	-80.66
C[N@H+]1CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C(C(F)(F)F)C1	REAL300003080868	1	46	0.0	-86.54	358.20	6.21	-80.33
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)N1	REAL300003080894	1	47	0.0	-74.18	380.87	6.36	-67.82
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)=C1	REAL300003081373	0	52	0.0	-80.66	408.99	8.98	-71.68
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C=C1	REAL300003081380	0	53	0.0	-83.58	417.56	7.96	-75.62
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003081517	0	46	0.0	-77.61	358.75	6.72	-70.89
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)CC1	REAL300003081521	0	52	0.0	-77.42	378.55	7.46	-69.96
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(N4C=C(C(=O)[O-])N=N4)CC3)=CN21	REAL300003081525	0	44	0.0	-75.41	360.33	7.93	-67.48
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003081586	0	55	0.0	-75.18	401.94	8.63	-66.55
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003081586	1	55	0.0	-80.78	410.69	8.62	-72.16
CC[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003081587	0	49	0.0	-74.39	361.37	7.04	-67.35
CC[N@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003081587	1	49	0.0	-76.89	371.30	7.19	-69.70
C[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003081592	0	46	0.0	-78.79	352.82	6.47	-72.32
C[N@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003081592	1	46	0.0	-81.95	354.21	6.53	-75.42
C[NH+](C)CC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)O1	REAL300003081594	1	46	0.0	-83.34	371.16	6.76	-76.58
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003081600	0	55	0.0	-80.11	391.93	7.60	-72.51
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)CC2)C1	REAL300003081600	1	55	0.0	-79.37	390.06	7.57	-71.80
O=C([O-])C1=CN(C2CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC2)N=N1	REAL300003081603	1	48	0.0	-73.95	360.37	7.78	-66.17
C[C@H]1[C@H](C2=CC=CC(Cl)=C2)OCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003081709	0	51	0.0	-49.60	387.85	9.85	-39.75
C[C@H]1[C@H](C2=CC=CC(Cl)=C2)OCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003081709	1	51	0.0	-50.58	394.57	9.87	-40.71
O=C([O-])[C@H](CC1=C(Br)C=CS1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300003082387	0	41	0.0	-52.60	356.97	9.23	-43.37
O=C([O-])[C@H](CC1=C(Br)C=CS1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300003082387	1	41	0.0	-52.79	343.98	8.34	-44.45
C[NH+](C)CC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082417	0	33	0.0	-55.55	298.89	6.68	-48.87
C[N@@H+]1CCCCC1C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082418	0	40	0.0	-53.58	326.99	7.95	-45.63
C[N@H+]1CCCCC1C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082418	1	40	0.0	-58.42	332.27	8.09	-50.33
C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082434	0	40	0.0	-54.91	340.77	8.30	-46.61
C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082434	1	40	0.0	-58.41	332.29	8.09	-50.32
C[NH+]1CCC(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])CC1	REAL300003082451	0	40	0.0	-68.42	343.46	8.35	-60.07
O=C([O-])[C@H](CC1=C(Br)C=CS1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300003082467	0	35	0.0	-68.60	325.83	10.07	-58.53
C[N@@H+]1CCCC1C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082489	0	37	0.0	-52.12	319.74	7.20	-44.92
C[N@H+]1CCCC1C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082489	1	37	0.0	-58.54	319.72	7.20	-51.34
C[NH+]1CCC(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])CC1	REAL300003082514	0	40	0.0	-68.42	343.46	8.35	-60.07
C[C@@H](C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-])[NH+](C)C	REAL300003082538	0	36	0.0	-57.32	317.83	7.05	-50.27
C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082539	0	37	0.0	-52.06	319.67	7.20	-44.86
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082539	1	37	0.0	-54.07	325.70	7.78	-46.29
C[C@H](C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-])[NH+](C)C	REAL300003082543	0	36	0.0	-54.18	317.86	7.06	-47.12
C[NH+](C)C1(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])CC1	REAL300003082551	0	37	0.0	-54.57	321.66	7.94	-46.63
CCC(C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-])[NH+](CC)CC	REAL300003082598	0	45	0.0	-49.50	365.99	8.93	-40.57
C[N@@H+]1CCOC(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])C1	REAL300003082607	1	38	0.0	-67.97	337.01	7.10	-60.87
C[N@H+]1CCOC(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])C1	REAL300003082607	1	38	0.0	-72.77	332.61	7.01	-65.76
C[NH+](C)CC1(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])CC1	REAL300003082617	0	40	0.0	-59.83	346.29	8.24	-51.59
C[NH+](C)CCCCC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082621	0	42	0.0	-71.11	365.08	8.78	-62.33
CC(C)C(C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-])[NH+](C)C	REAL300003082629	0	42	0.0	-56.78	343.11	8.22	-48.56
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082638	1	39	0.0	-55.92	345.29	7.57	-48.35
CCC[N@H+](C)CC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082641	0	39	0.0	-54.75	338.95	8.05	-46.70
CCC[N@@H+](C)CC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082641	1	39	0.0	-54.85	338.95	8.06	-46.79
C[N@H+](CC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-])C1CCC1	REAL300003082650	0	40	0.0	-51.08	344.98	8.67	-42.41
C[N@@H+](CC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-])C1CCC1	REAL300003082650	1	40	0.0	-53.11	345.95	8.64	-44.47
C[N@H+](CC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-])CC(C)(C)C	REAL300003082659	0	45	0.0	-54.05	367.55	9.06	-44.99
C[N@@H+](CC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-])CC(C)(C)C	REAL300003082659	1	45	0.0	-54.40	369.50	9.18	-45.22
CC[C@@H](C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-])[NH+](C)C	REAL300003082661	0	39	0.0	-55.49	330.13	7.65	-47.84
O=C([O-])[C@H](CC1=C(Br)C=CS1)NC(=O)C12CCC[NH+]1CCC2	REAL300003082684	0	41	0.0	-56.21	342.20	8.38	-47.83
O=C([O-])[C@H](CC1=C(Br)C=CS1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300003082689	1	35	0.0	-75.28	326.72	10.10	-65.18
CCCC(C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-])[NH+](C)C	REAL300003082712	0	42	0.0	-59.87	354.83	8.58	-51.29
C[C@@H]1[C@H](C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])CC[N@@H+]1C	REAL300003082719	0	40	0.0	-68.81	335.51	7.66	-61.15
C[C@@H]1[C@H](C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])CC[N@H+]1C	REAL300003082719	1	40	0.0	-68.48	342.50	7.90	-60.58
CC[C@@H]1[C@@H](C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])CC[N@@H+]1C	REAL300003082721	0	43	0.0	-67.80	354.93	8.32	-59.48
CC[C@@H]1[C@@H](C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])CC[N@H+]1C	REAL300003082721	1	43	0.0	-64.89	358.58	8.77	-56.12
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082723	1	39	0.0	-54.21	346.37	8.43	-45.78
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082723	1	39	0.0	-54.52	350.20	8.97	-45.55
CC1C[N@H+](C)CC(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])O1	REAL300003082726	1	41	0.0	-72.72	346.87	7.72	-65.00
CC1C[N@@H+](C)CC(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])O1	REAL300003082726	1	41	0.0	-74.04	347.15	7.35	-66.69
O=C([O-])[C@H](CC1=C(Br)C=CS1)NC(=O)C[NH+]1CCCC1	REAL300003082729	0	37	0.0	-53.67	322.85	7.70	-45.97
CC1=[NH+]C=CN1CC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082731	1	35	0.0	-53.94	329.14	8.25	-45.69
CC1CC[NH+](CC(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])CC1	REAL300003082747	0	43	0.0	-53.46	361.45	9.17	-44.29
CC[N@@H+]1CCOC(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])C1	REAL300003082750	1	41	0.0	-63.88	344.01	7.44	-56.44
CC[N@H+]1CCOC(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])C1	REAL300003082750	1	41	0.0	-49.27	347.79	7.56	-41.71
C[N@@H+]1CCCC1CCC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082762	0	43	0.0	-68.32	367.10	9.14	-59.18
C[N@H+]1CCCC1CCC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082762	1	43	0.0	-65.40	360.76	8.72	-56.68
C[N@@H+]1CC(O)CC1(C)C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082765	1	41	0.0	-64.00	336.23	4.62	-59.38
C[N@H+]1CC(O)CC1(C)C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082765	1	41	0.0	-53.67	344.53	4.52	-49.15
CC[NH+](CC)CC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082771	0	39	0.0	-53.09	330.47	7.77	-45.32
O=C([O-])[C@H](CC1=C(Br)C=CS1)NC(=O)C12CC[NH+](CC1)C2	REAL300003082800	0	38	0.0	-67.56	329.45	7.18	-60.38
CCC(C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-])[NH+](C)C	REAL300003082803	0	39	0.0	-54.92	329.96	7.66	-47.26
O=C([O-])[C@H](CC1=C(Br)C=CS1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300003082805	0	41	0.0	-67.43	336.82	7.72	-59.71
O=C([O-])[C@H](CC1=C(Br)C=CS1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300003082805	1	41	0.0	-68.84	340.98	7.91	-60.93
CC1CCC(C)[NH+]1CC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082824	0	43	0.0	-51.35	356.83	8.74	-42.61
C[NH+](C)C1(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])CCC1	REAL300003082837	0	40	0.0	-56.99	330.76	8.07	-48.92
C#CC[NH+]1CCC(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])CC1	REAL300003082844	0	42	0.0	-69.46	368.63	9.54	-59.92
CC(C)[N@H+](C)CC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082845	0	39	0.0	-52.44	334.14	7.85	-44.59
CC(C)[N@@H+](C)CC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082845	1	39	0.0	-53.12	334.14	7.83	-45.29
CC[N@H+](CC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-])C1CC1	REAL300003082853	0	40	0.0	-50.64	348.66	8.74	-41.90
CC[N@@H+](CC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-])C1CC1	REAL300003082853	1	40	0.0	-53.08	346.08	8.67	-44.41
C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082860	0	37	0.0	-53.93	324.49	7.65	-46.28
C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082860	1	37	0.0	-58.52	319.67	7.19	-51.33
CC(C)(C)[NH2+]CC(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082889	0	39	0.0	-53.20	338.67	6.35	-46.85
CC(C)[C@@H](C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-])[NH+](C)C	REAL300003082895	0	42	0.0	-58.60	346.63	8.86	-49.74
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082917	0	43	0.0	-53.82	358.42	8.80	-45.02
CC(C)[N@H+]1CCCC1C(=O)N[C@@H](CC1=C(Br)C=CS1)C(=O)[O-]	REAL300003082917	1	43	0.0	-53.40	356.38	8.60	-44.80
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])C1	REAL300003083264	0	40	0.0	-69.77	349.22	8.38	-61.39
CC[N@@H+]1CCCC(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])C1	REAL300003083284	0	43	0.0	-55.74	350.18	9.01	-46.73
CC[N@H+]1CCCC(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])C1	REAL300003083284	1	43	0.0	-55.74	350.18	9.01	-46.73
C[N@@H+]1CCCC(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])C1	REAL300003083288	0	40	0.0	-56.36	332.54	8.36	-48.00
C[N@H+]1CCCC(C(=O)N[C@@H](CC2=C(Br)C=CS2)C(=O)[O-])C1	REAL300003083288	1	40	0.0	-56.36	332.54	8.36	-48.00
O=C([O-])[C@H](CC1=C(Br)C=CS1)NC(=O)C12CC(C1)CN2C1CC1	REAL300003083292	0	42	0.0	-55.55	352.58	8.85	-46.70
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CC1(C)CCCC1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003083336	0	52	0.0	-47.84	376.46	8.70	-39.14
CC(C)CC1=CC=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003083444	0	52	0.0	-47.73	391.61	10.13	-37.60
COC1=CC=CC(C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)OC)=C1	REAL300003083569	0	51	0.0	-50.32	399.48	6.57	-43.75
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CC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)COC2=CC=CC=C2O1	REAL300003084328	0	49	0.0	-50.06	369.62	7.39	-42.67
CC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)COC2=CC=CC=C2O1	REAL300003084328	1	49	0.0	-48.07	368.66	6.98	-41.09
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O=C([O-])C1CCC[N@@H+](CC(=O)NCCC=CC2=CC=C(Br)C=C2)C1	REAL300003084573	1	47	0.0	-50.42	389.90	10.09	-40.33
CCCC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OCC	REAL300003084664	0	49	0.0	-48.30	366.65	6.83	-41.47
CCCC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OCC	REAL300003084664	1	49	0.0	-44.76	365.23	6.21	-38.55
CN1N=CC(C(F)(F)F)=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003084764	0	43	0.0	-48.33	349.41	5.91	-42.42
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C[NH+](C)CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003085833	1	42	0.0	-70.89	356.53	10.76	-60.13
CC(C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300003085834	1	54	0.0	-73.49	426.90	10.54	-62.95
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003085857	1	49	0.0	-69.94	396.88	12.35	-57.59
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003085857	1	49	0.0	-69.85	388.88	12.17	-57.68
C[NH+]1CCC(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300003085880	0	49	0.0	-73.87	400.90	12.41	-61.46
C[N@@H+]1CCCC1C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003085921	1	46	0.0	-69.81	376.09	11.29	-58.52
C[N@H+]1CCCC1C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003085921	1	46	0.0	-69.61	375.96	11.31	-58.30
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003085970	1	50	0.0	-68.01	426.64	13.65	-54.36
C[C@@H](C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1)[NH+](C)C	REAL300003085973	0	45	0.0	-70.09	373.97	11.18	-58.91
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003085974	1	46	0.0	-68.35	375.15	11.28	-57.07
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003085974	1	46	0.0	-68.91	380.98	11.80	-57.11
C[C@H](C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1)[NH+](C)C	REAL300003085977	0	45	0.0	-70.29	373.73	11.23	-59.06
CCC(C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1)[NH+](CC)CC	REAL300003086024	0	54	0.0	-66.07	421.41	13.07	-53.00
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300003086032	0	51	0.0	-74.14	430.46	12.39	-61.75
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003086040	1	50	0.0	-66.18	421.33	13.47	-52.71
C[NH+](C)CC1(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300003086047	0	49	0.0	-70.29	407.46	12.52	-57.77
C[NH+](C)CCCCC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003086051	0	51	0.0	-72.25	421.90	12.89	-59.36
CCC[N@H+](C)CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003086074	0	48	0.0	-72.27	395.77	12.18	-60.09
CCC[N@@H+](C)CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003086074	1	48	0.0	-70.24	395.74	12.17	-58.07
C[N@H+](CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1)C1CCC1	REAL300003086084	0	49	0.0	-68.40	401.91	12.74	-55.66
C[N@@H+](CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1)C1CCC1	REAL300003086084	1	49	0.0	-68.48	402.65	12.74	-55.74
C[N@H+](CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1)CC(C)(C)C	REAL300003086096	0	54	0.0	-70.38	423.19	13.17	-57.21
C[N@@H+](CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1)CC(C)(C)C	REAL300003086096	1	54	0.0	-70.57	426.72	13.33	-57.24
CC[C@@H](C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1)[NH+](C)C	REAL300003086097	0	48	0.0	-68.37	386.22	11.78	-56.59
CCCCCC[N@H+](C)CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003086109	0	57	0.0	-73.37	460.26	14.53	-58.84
CCCCCC[N@@H+](C)CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003086109	1	57	0.0	-72.48	460.23	14.52	-57.96
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C[C@@H]1[C@H](C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1C	REAL300003086150	0	49	0.0	-71.56	392.35	11.77	-59.79
C[C@@H]1[C@H](C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1C	REAL300003086150	1	49	0.0	-69.21	398.81	12.12	-57.09
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)CC[N@@H+]1C	REAL300003086152	0	52	0.0	-71.78	413.68	12.43	-59.35
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)CC[N@H+]1C	REAL300003086152	1	52	0.0	-72.88	418.48	12.77	-60.11
CC1C[N@H+](C)CC(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)O1	REAL300003086156	1	50	0.0	-71.49	408.66	11.82	-59.67
CC1C[N@@H+](C)CC(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)O1	REAL300003086156	1	50	0.0	-75.01	408.15	11.41	-63.60
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CC(C[NH+]1CCOCC1)C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003086165	1	53	0.0	-71.92	427.27	11.45	-60.47
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CC[N@@H+]1CCOC(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003086188	1	50	0.0	-72.19	410.53	11.74	-60.45
CC[N@H+]1CCOC(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003086188	1	50	0.0	-72.04	404.17	11.57	-60.47
C[N@@H+]1CCCC1CCC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003086206	0	52	0.0	-72.23	423.07	13.24	-58.99
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CC[NH+](CC)CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003086222	0	48	0.0	-70.04	392.15	12.10	-57.94
CCC(C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1)[NH+](C)C	REAL300003086263	0	48	0.0	-68.67	386.22	11.77	-56.90
CC1CCC(C)[NH+]1CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003086288	0	52	0.0	-65.98	412.20	12.62	-53.36
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CC(C)[N@@H+](C)CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003086319	1	48	0.0	-68.72	390.93	11.96	-56.76
CC[N@H+](CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300003086326	0	49	0.0	-68.93	405.13	12.79	-56.14
CC[N@@H+](CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1)C1CC1	REAL300003086326	1	49	0.0	-67.71	401.53	12.77	-54.94
CC(C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1)[NH+]1CCCCCC1	REAL300003086339	0	55	0.0	-65.94	424.74	13.23	-52.71
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003086341	1	46	0.0	-68.86	382.37	11.79	-57.07
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003086341	1	46	0.0	-69.71	375.73	11.29	-58.42
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C[N@H+](CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300003086377	1	52	0.0	-73.59	433.19	14.36	-59.23
C[N@@H+](CC(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300003086377	1	52	0.0	-73.67	433.25	14.36	-59.31
C[NH+](C)CC1=CC(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)=NO1	REAL300003086401	1	48	0.0	-79.34	413.77	11.71	-67.63
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003086408	0	52	0.0	-65.60	414.79	12.84	-52.76
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=CC=C1C#CC1=CC=C(C(=O)[O-])C=C1	REAL300003086408	1	52	0.0	-65.33	408.29	12.78	-52.55
C[NH+]1CCC(OCC(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300003086418	0	53	0.0	-75.00	435.63	12.74	-62.26
CCC[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003086491	0	55	0.0	-67.74	433.82	13.98	-53.76
CCC[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003086491	1	55	0.0	-66.73	432.97	13.94	-52.79
O=C([O-])C1=CC=C(C#CC2=CC=CC=C2NC(=O)C[NH+]2CCC(CO)CC2)C=C1	REAL300003086502	1	53	0.0	-74.33	430.23	9.94	-64.39
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003086583	0	55	0.0	-67.98	428.60	13.73	-54.25
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003086583	1	55	0.0	-69.43	435.65	13.55	-55.88
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)N1	REAL300003086596	1	50	0.0	-65.92	426.77	12.05	-53.87
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003086857	0	49	0.0	-69.36	405.41	12.46	-56.90
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300003086861	0	55	0.0	-71.78	428.24	13.43	-58.35
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=CC=C3C#CC3=CC=C(C(=O)[O-])C=C3)=CN12	REAL300003086863	0	47	0.0	-66.19	408.09	14.04	-52.15
CC[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003086892	0	52	0.0	-66.92	412.75	13.24	-53.68
CC[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003086892	1	52	0.0	-69.69	418.22	13.02	-56.67
C[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003086897	0	49	0.0	-68.27	393.80	12.55	-55.72
C[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003086897	1	49	0.0	-71.61	400.93	12.37	-59.24
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC=C2C#CC2=CC=C(C(=O)[O-])C=C2)O1	REAL300003086899	1	49	0.0	-73.73	421.05	12.57	-61.16
O=C([O-])C1=CC=C(C#CC2=CC=CC=C2NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300003086906	1	51	0.0	-65.19	412.59	13.29	-51.90
O=C([O-])C1=CC=C(C#CC2=CC=CC=C2NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300003086906	1	51	0.0	-68.98	412.66	13.73	-55.25
CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C(=O)[O-])CCC3C(=O)[O-])CC2)CC1	REAL300003089682	1	61	0.0	-150.88	433.33	12.40	-138.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(Cl)C=C3)CCCC2)CC1	REAL300003091366	0	53	0.0	-38.35	386.83	11.66	-26.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(CS(C)(=O)=O)=C2)CC1	REAL300003091367	0	49	0.0	-50.86	382.00	6.08	-44.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3C=CC=N3)C=C2)CC1	REAL300003091368	0	47	0.0	-44.13	355.72	9.07	-35.06
CCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091369	0	47	0.0	-37.42	348.86	8.15	-29.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003091370	0	46	0.0	-55.62	365.93	10.01	-45.61
CC1=CC(Cl)=CC=C1OCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091371	0	47	0.0	-57.48	372.89	10.17	-47.31
CC(OC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091372	0	47	0.0	-44.94	346.03	9.18	-35.76
COC1=CC=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091373	0	47	0.0	-44.54	353.61	8.28	-36.26
COC1=CC=C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091374	0	48	0.0	-46.20	362.50	8.19	-38.01
CC1=CC=CC(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091375	0	47	0.0	-57.38	357.50	9.62	-47.76
COC1=CC=CC=C1OCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091376	0	48	0.0	-60.41	365.35	8.69	-51.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C(C#N)C=C2)CC1	REAL300003091377	0	45	0.0	-49.60	353.82	9.31	-40.29
CCOC1=CC=CC=C1OCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091378	0	51	0.0	-60.36	387.20	9.62	-50.74
CC1=CC(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1Cl	REAL300003091379	0	47	0.0	-57.79	371.55	10.05	-47.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOC2=CC=CC=C2)CC1	REAL300003091380	0	50	0.0	-56.18	378.55	9.42	-46.76
COC1=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1OC(F)F	REAL300003091381	0	52	0.0	-57.13	404.48	8.98	-48.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC=C3O2)CC1	REAL300003091382	1	43	0.0	-36.82	327.67	8.71	-28.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Br)S2)CC1	REAL300003091383	1	37	0.0	-37.32	310.77	7.67	-29.65
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1OC(F)F	REAL300003091384	0	48	0.0	-55.69	368.88	7.39	-48.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)CC1	REAL300003091385	0	54	0.0	-38.78	408.77	11.21	-27.57
CCOC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091386	0	50	0.0	-55.74	378.54	9.25	-46.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC(=O)C2=CC=CC=C2)CC1	REAL300003091387	0	48	0.0	-52.35	368.81	9.65	-42.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC=C2Cl)CC1	REAL300003091388	0	43	0.0	-38.75	338.27	9.42	-29.33
CC1=CC=C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091389	0	47	0.0	-45.12	354.40	9.58	-35.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(F)=CC(F)=C2)CC1	REAL300003091390	0	40	0.0	-38.58	309.69	8.04	-30.54
COC1=CC=CC=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091391	0	47	0.0	-40.16	352.35	8.34	-31.82
COC1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003091392	0	54	0.0	-56.17	407.33	9.03	-47.14
COC1=CC=CC=C1CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091393	0	50	0.0	-41.10	373.79	9.15	-31.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=COC3=CC4=C(C=C23)CCC4)CC1	REAL300003091394	0	53	0.0	-44.78	397.42	11.27	-33.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2OC(F)F)CC1	REAL300003091395	0	44	0.0	-40.67	339.23	7.95	-32.72
CCOC1=C(Cl)C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003091396	0	51	0.0	-56.69	400.80	8.72	-47.97
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(Cl)=C1OC	REAL300003091397	0	48	0.0	-56.74	378.95	7.76	-48.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2S(C)(=O)=O)CC1	REAL300003091398	1	46	0.0	-51.08	352.43	6.90	-44.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C(F)C=C2)CC1	REAL300003091399	0	44	0.0	-46.33	339.41	8.96	-37.37
CC1=CC=CC=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091400	0	46	0.0	-41.05	340.80	9.47	-31.58
CC(C)CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091401	0	52	0.0	-36.02	378.72	10.61	-25.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC=C2F)CC1	REAL300003091402	0	46	0.0	-41.70	350.93	9.82	-31.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC=C3S2)CC1	REAL300003091403	1	43	0.0	-35.82	334.12	9.27	-26.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CC=C3)=CS2)CC1	REAL300003091404	1	47	0.0	-40.47	366.50	10.52	-29.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(F)=C(Cl)C=C2Cl)CC1	REAL300003091405	0	40	0.0	-36.85	336.36	9.01	-27.84
COC1=CC=C(C)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091406	0	47	0.0	-42.02	345.98	8.86	-33.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(F)=CC=C2Br)CC1	REAL300003091407	0	40	0.0	-37.31	325.67	8.63	-28.68
COC1=CC=C(C2=NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CS2)C=C1	REAL300003091408	1	50	0.0	-37.56	393.71	8.88	-28.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Cl)C=C2F)CC1	REAL300003091409	0	40	0.0	-39.84	323.57	8.55	-31.29
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1F	REAL300003091410	0	43	0.0	-39.06	324.24	8.60	-30.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2COC3=CC=CC=C3C2)CC1	REAL300003091411	0	48	0.0	-39.61	351.27	8.52	-31.09
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003091412	0	43	0.0	-53.27	327.47	4.55	-48.72
COC1=CC(C#N)=CC=C1OCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091413	0	49	0.0	-64.16	386.13	9.10	-55.06
CC1=NN(C)C2=C1C=C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)S2	REAL300003091414	1	46	0.0	-40.19	360.85	7.60	-32.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C)C(=O)C3=CC=CC=C32)CC1	REAL300003091415	0	48	0.0	-40.94	361.11	7.86	-33.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCCC3=O)C=C2)CC1	REAL300003091416	0	51	0.0	-44.35	375.59	9.04	-35.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Br)O2)CC1	REAL300003091417	1	37	0.0	-35.47	302.36	7.05	-28.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=C(F)C=CC=C2Cl)CC1	REAL300003091418	0	43	0.0	-38.97	343.49	9.41	-29.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(Cl)=C2Cl)CC1	REAL300003091419	0	40	0.0	-41.51	326.00	8.81	-32.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=CC=C2Cl)CC1	REAL300003091420	0	40	0.0	-37.27	332.00	9.00	-28.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(F)C=CC=C2F)CC1	REAL300003091421	1	40	0.0	-52.00	319.26	8.25	-43.75
COC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1OC	REAL300003091422	0	48	0.0	-42.12	358.56	8.08	-34.04
COC1=CC(OC)=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091423	0	48	0.0	-38.59	356.67	6.51	-32.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2Cl)CC1	REAL300003091424	0	40	0.0	-38.42	315.30	8.47	-29.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2C(F)(F)F)CC1	REAL300003091425	0	43	0.0	-39.95	333.63	8.92	-31.03
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091426	0	44	0.0	-38.79	326.59	7.19	-31.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Cl)C=C2Cl)CC1	REAL300003091427	0	40	0.0	-38.38	332.19	8.97	-29.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(OC(F)F)=C2)CC1	REAL300003091428	0	44	0.0	-40.80	336.21	7.47	-33.33
COC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091429	0	47	0.0	-55.90	356.69	8.32	-47.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC(Br)=C2)CC1	REAL300003091430	0	44	0.0	-59.13	357.39	9.57	-49.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Cl)C=CC=C2Cl)CC1	REAL300003091431	0	40	0.0	-50.23	338.24	9.01	-41.22
COC1=CC=CC(OC)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091432	0	48	0.0	-40.37	361.93	6.81	-33.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C(Cl)C=C2)CC1	REAL300003091433	0	44	0.0	-45.64	349.73	9.42	-36.22
COC1=CC=CC=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091434	0	48	0.0	-43.03	361.30	8.83	-34.20
CC1=CC=CC=C1OCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091435	0	47	0.0	-56.87	356.16	9.66	-47.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC=C2Cl)CC1	REAL300003091436	0	44	0.0	-59.48	352.13	9.48	-50.00
CC1=CC(C)=CC(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091437	0	50	0.0	-57.33	378.91	10.27	-47.06
CC1=CC=C(Cl)C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091438	0	47	0.0	-59.13	373.53	10.15	-48.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C3CCCC3=C2)CC1	REAL300003091439	0	51	0.0	-57.71	381.66	10.85	-46.86
CCCOC1=CC=C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091440	0	54	0.0	-45.72	405.85	9.91	-35.81
CCOC1=CC=C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091441	0	51	0.0	-45.94	384.35	9.11	-36.83
CC1=CC=C(OC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091442	0	50	0.0	-57.27	370.50	9.87	-47.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC=C2Cl)CC1	REAL300003091443	0	46	0.0	-40.66	359.24	10.20	-30.46
CC(OC1=CC=C(F)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091444	0	47	0.0	-58.15	355.50	9.27	-48.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(F)C(Cl)=C2)CC1	REAL300003091445	0	44	0.0	-53.66	358.68	10.05	-43.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(C3CC3)=C2)CC1	REAL300003091446	1	43	0.0	-35.92	329.02	8.24	-27.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3)CCOCC2)CC1	REAL300003091447	0	54	0.0	-35.76	375.63	8.67	-27.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(F)C=C3)CCOCC2)CC1	REAL300003091448	0	54	0.0	-40.90	382.08	8.78	-32.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC(F)=C3)CCOCC2)CC1	REAL300003091449	0	54	0.0	-42.19	382.20	8.76	-33.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC(Cl)=C3)CCOCC2)CC1	REAL300003091450	0	54	0.0	-41.12	392.52	9.20	-31.92
COC1=CC=C(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCOCC2)C=C1	REAL300003091451	0	58	0.0	-40.88	405.16	8.01	-32.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3Cl)CCOCC2)CC1	REAL300003091452	0	54	0.0	-40.26	383.09	8.87	-31.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1	REAL300003091453	0	45	0.0	-35.97	325.29	5.44	-30.53
CC(C)COC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091454	0	49	0.0	-41.34	356.35	8.24	-33.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(F)C=C2)CC1	REAL300003091455	0	46	0.0	-41.60	351.89	9.86	-31.74
CC1=CC(=O)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1=CC=CC=C1	REAL300003091456	0	52	0.0	-41.42	399.68	9.38	-32.04
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091457	0	57	0.0	-37.47	404.14	10.83	-26.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN(C(=O)C(C)(C)C)C2)CC1	REAL300003091458	0	59	0.0	-38.29	409.37	8.58	-29.71
CCOC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091459	0	47	0.0	-39.32	351.34	8.61	-30.71
C=CCC1=CC=C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(OC)=C1	REAL300003091460	0	55	0.0	-60.07	421.04	10.69	-49.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(=O)N(C)C=C2)CC1	REAL300003091461	0	43	0.0	-48.26	322.54	6.69	-41.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC=C(C3=CC=CC=C3)O2)CC1	REAL300003091462	0	52	0.0	-42.64	400.67	8.27	-34.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(C3=CC=CC=C3)C2)CC1	REAL300003091463	0	48	0.0	-37.33	364.37	8.84	-28.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NN=C(C3=CSC=C3)O2)CC1	REAL300003091464	0	48	0.0	-44.74	387.14	4.64	-40.10
CCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003091465	0	46	0.0	-39.86	347.95	5.61	-34.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=C2OCCO3)CC1	REAL300003091466	0	46	0.0	-44.73	339.51	7.98	-36.75
CC(C)OC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003091467	0	49	0.0	-39.54	368.09	6.51	-33.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)N(C3=CC=C4CCCC4=C3)C2)CC1	REAL300003091468	0	58	0.0	-46.17	420.19	10.98	-35.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CN3C=CC=CC3=N2)CC1	REAL300003091469	0	46	0.0	-49.57	350.13	9.60	-39.97
COC1=CC=C2OC(C)=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=C1	REAL300003091470	0	50	0.0	-53.47	385.82	8.61	-44.86
CC1=CC=C(C2=NC(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CS2)O1	REAL300003091471	0	49	0.0	-49.09	392.12	8.82	-40.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C3=CN(C)N=C3)=N2)CC1	REAL300003091472	1	46	0.0	-38.97	368.22	7.39	-31.58
CC1=CC=C(C2=NC(C)=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)S2)O1	REAL300003091473	1	49	0.0	-39.47	388.39	8.44	-31.03
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(C(C)C)=N1	REAL300003091474	1	48	0.0	-39.52	369.64	7.95	-31.57
CCCC1=NC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003091475	1	48	0.0	-39.24	371.10	8.15	-31.09
CCN1N=C(C(C)C)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091476	0	52	0.0	-38.15	379.85	8.44	-29.71
CC1=NC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003091477	0	42	0.0	-43.66	329.47	6.86	-36.80
CC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003091478	0	45	0.0	-44.95	340.54	7.81	-37.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(C3=NC=CC=N3)=N2)CC1	REAL300003091479	0	47	0.0	-51.51	379.39	7.29	-44.22
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(C2=NC=CC=N2)=N1	REAL300003091480	1	47	0.0	-44.84	371.10	6.68	-38.16
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC(C)=C1C(C)=O	REAL300003091481	0	52	0.0	-44.67	398.68	8.29	-36.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC=CS2)CC1	REAL300003091482	0	42	0.0	-52.53	333.37	6.94	-45.59
CC(C)OC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1Cl	REAL300003091483	0	49	0.0	-53.69	387.25	7.07	-46.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC(=O)N2CCC3=C(C=CS3)C2)CC1	REAL300003091484	0	54	0.0	-41.28	412.00	9.59	-31.69
CCC1=NC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003091485	0	45	0.0	-43.50	350.97	7.61	-35.89
CC1=CN(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C1	REAL300003091486	0	46	0.0	-52.73	351.45	7.68	-45.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C(C)(C)C)S2)CC1	REAL300003091487	1	48	0.0	-37.97	365.29	7.57	-30.40
CCOC1=CC=C(Cl)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003091488	1	46	0.0	-36.72	357.44	7.31	-29.41
COCC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003091489	1	43	0.0	-36.67	339.11	5.56	-31.11
CCN(CC)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003091490	0	53	0.0	-38.21	389.62	9.65	-28.56
CC1=NN(C(F)F)C(C)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091491	0	49	0.0	-46.82	378.06	7.91	-38.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCCCCC3)N=C2)CC1	REAL300003091492	0	57	0.0	-37.76	399.23	8.84	-28.92
CC1=NN(C)C(C)=C1C(=O)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091493	1	48	0.0	-41.84	363.83	6.65	-35.19
CSCC1=NC2=CC=CC=C2N1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091494	0	53	0.0	-52.47	415.85	10.80	-41.67
CC1=CC=CC2=C1N=CN(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C2=O	REAL300003091495	0	51	0.0	-47.50	389.80	10.29	-37.21
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091496	0	48	0.0	-40.70	365.30	8.98	-31.72
CC1=NOC2=NC(C3CC3)=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C12	REAL300003091497	0	51	0.0	-43.96	383.67	6.95	-37.01
CC1=NN(C)C(C)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091498	0	49	0.0	-48.13	364.94	7.72	-40.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C(=O)C(C)OC3=CC=CC=C32)CC1	REAL300003091499	0	52	0.0	-46.40	391.12	8.32	-38.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(N3CCCC3=O)C=C2)CC1	REAL300003091500	0	55	0.0	-44.76	410.71	10.59	-34.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CN3C=NC=N3)C=C2)CC1	REAL300003091501	0	49	0.0	-42.69	376.12	11.01	-31.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OCC(F)(F)F)N=C2)CC1	REAL300003091502	0	46	0.0	-55.16	368.90	5.95	-49.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC3=CC=CN=C23)CC1	REAL300003091503	0	49	0.0	-46.99	373.76	10.00	-36.99
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C12	REAL300003091504	0	55	0.0	-45.63	410.04	9.58	-36.05
CC1=NN(C)C2=NC(C)=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C12	REAL300003091505	0	51	0.0	-42.08	382.43	8.17	-33.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C(=O)COC3=CC=C(Cl)C=C32)CC1	REAL300003091506	0	49	0.0	-42.61	387.85	8.17	-34.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3C=CC=N3)N=C2)CC1	REAL300003091507	0	46	0.0	-40.71	353.09	8.41	-32.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC(N3CCCC3)=NC=C2Cl)CC1	REAL300003091508	1	50	0.0	-34.02	380.29	9.19	-24.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C3=CC=CO3)=N2)CC1	REAL300003091509	1	43	0.0	-37.71	346.45	7.57	-30.14
CC1=NC(C(F)(F)F)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091510	0	45	0.0	-40.40	352.77	7.89	-32.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)N(C3=CC=CC=C3)C2)CC1	REAL300003091511	0	51	0.0	-45.77	376.16	9.13	-36.64
CCC(=O)N1CCCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C1	REAL300003091512	0	53	0.0	-38.89	380.15	7.96	-30.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN(C(=O)C3CC3)C2)CC1	REAL300003091513	0	54	0.0	-46.35	390.23	8.70	-37.65
CCS(=O)(=O)N1CCCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C1	REAL300003091514	0	54	0.0	-42.47	399.03	5.62	-36.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN(C)C(=O)C2=CC=CS2)CC1	REAL300003091515	0	47	0.0	-50.45	365.00	7.63	-42.82
CC(C)CN1CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1=O	REAL300003091516	0	53	0.0	-43.39	381.52	8.03	-35.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSCC2=CC=CN=C2)CC1	REAL300003091517	1	46	0.0	-46.85	363.34	8.60	-38.25
CCC(=O)NC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091518	0	50	0.0	-46.33	373.16	7.58	-38.75
COC1=CC=C(N2CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2=O)C=C1	REAL300003091519	0	55	0.0	-53.05	403.43	8.31	-44.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)N(C3=CC=C(Cl)C=C3)C2)CC1	REAL300003091520	0	51	0.0	-51.11	390.65	9.55	-41.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)N(CC3=CC=CC=N3)C2)CC1	REAL300003091521	0	53	0.0	-45.20	399.69	7.88	-37.32
CCOC1=NC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091522	1	46	0.0	-40.93	348.94	6.03	-34.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=C(C(F)(F)F)C=CC2=O)CC1	REAL300003091523	0	46	0.0	-45.00	366.96	8.50	-36.50
CC1=NC2=CC=CC=C2C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091524	0	48	0.0	-40.46	360.78	8.93	-31.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)N(CC3=CC=CC=C3)C2)CC1	REAL300003091525	0	54	0.0	-44.49	404.76	9.72	-34.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=NC3=CC=CC=C3C2=O)CC1	REAL300003091526	0	48	0.0	-53.20	369.77	9.39	-43.81
COC1=CC=CC=C1N1CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1=O	REAL300003091527	0	55	0.0	-47.99	412.21	8.72	-39.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)N(CC3=CC=CO3)C2)CC1	REAL300003091528	0	51	0.0	-45.76	385.48	7.83	-37.93
CC1=CC=CC(N2CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2=O)=C1C	REAL300003091529	0	57	0.0	-46.04	422.40	11.00	-35.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC2=NC3=CC=CC=C3S2)CC1	REAL300003091530	1	46	0.0	-41.91	377.79	9.16	-32.75
CC1=CC=CC(N2N=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCC2=O)=C1	REAL300003091531	0	54	0.0	-55.50	411.57	9.77	-45.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2CCCCCC2=O)CC1	REAL300003091532	0	50	0.0	-57.25	363.87	8.05	-49.20
CCC1=CC=CC=C1N1CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1=O	REAL300003091533	0	57	0.0	-50.70	416.81	10.87	-39.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C(=O)COC3=CC=CC=C32)CC1	REAL300003091534	0	49	0.0	-46.70	370.84	7.64	-39.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2CSCC2=O)CC1	REAL300003091535	0	42	0.0	-47.90	328.57	6.28	-41.62
CC(=O)N1CCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003091536	0	50	0.0	-48.06	356.47	7.04	-41.02
CC1=CC=CC2=NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CN21	REAL300003091537	0	46	0.0	-38.11	347.23	9.78	-28.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)N(C(C)C3=CC=CC=C3)C2)CC1	REAL300003091538	0	57	0.0	-46.95	420.54	10.24	-36.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)N(C3CCCC3)C2)CC1	REAL300003091539	0	54	0.0	-46.32	385.45	8.55	-37.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)N(C3CC3)C2)CC1	REAL300003091540	0	48	0.0	-44.13	348.38	7.28	-36.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CN3CCCC3=O)C=C2)CC1	REAL300003091541	0	54	0.0	-42.86	405.21	9.63	-33.23
CC(=O)NC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(C)C=C1	REAL300003091542	0	56	0.0	-42.44	413.04	9.04	-33.40
CC1=CC2=NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CN2C=C1	REAL300003091543	0	46	0.0	-38.32	348.05	9.91	-28.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(C3=CC=CN=C3)=N2)CC1	REAL300003091544	0	48	0.0	-47.16	382.71	8.17	-38.99
CSC1=NC(C)=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=N1	REAL300003091545	0	54	0.0	-56.52	415.41	9.32	-47.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1	REAL300003091546	0	53	0.0	-59.22	393.68	5.78	-53.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C3=CC=CC=C3OCCC2=O)CC1	REAL300003091547	0	52	0.0	-57.64	390.20	8.35	-49.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(C3=CSC=C3)=N2)CC1	REAL300003091548	0	46	0.0	-44.60	378.75	8.87	-35.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NN=C(C3=CC=CC=C3)O2)CC1	REAL300003091549	0	51	0.0	-44.93	397.02	5.76	-39.17
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC2=C1C(=O)N(C)C=N2	REAL300003091550	1	48	0.0	-45.15	369.04	8.42	-36.73
COC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091551	0	44	0.0	-39.17	328.99	7.53	-31.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CNC3=CC=CC=C23)CC1	REAL300003091552	0	47	0.0	-45.42	355.94	9.03	-36.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3C=CC=CC3=N2)CC1	REAL300003091553	0	43	0.0	-38.45	327.29	9.32	-29.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3SC(C)C(=O)NC3=C2)CC1	REAL300003091554	0	49	0.0	-41.82	378.21	7.52	-34.30
CCN1N=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C2C1=O	REAL300003091555	0	51	0.0	-39.64	382.34	8.83	-30.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C)C(=O)C=C2)CC1	REAL300003091556	0	42	0.0	-40.04	318.93	5.59	-34.45
COCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC2=CC=CC=C21	REAL300003091557	1	50	0.0	-39.61	379.85	8.45	-31.16
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091558	1	49	0.0	-43.85	379.30	6.06	-37.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(F)=CC=C2F)CC1	REAL300003091559	1	40	0.0	-39.01	313.06	8.12	-30.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=NOC3=CC=CC=C32)CC1	REAL300003091560	0	45	0.0	-51.23	347.33	8.33	-42.90
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=C(N=CN(C)C2=O)O1	REAL300003091561	1	48	0.0	-61.15	376.83	6.58	-54.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1	REAL300003091562	0	44	0.0	-40.93	329.11	5.57	-35.36
CC1=NOC2=NC(C)=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C12	REAL300003091563	0	47	0.0	-48.82	356.77	5.51	-43.31
CC(C)N1N=CC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CN=C21	REAL300003091564	0	51	0.0	-41.11	384.61	8.63	-32.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C3OCCC3=C2)CC1	REAL300003091565	0	48	0.0	-45.19	359.99	8.83	-36.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)NC3=CC=CC=C32)CC1	REAL300003091566	0	48	0.0	-61.58	361.41	7.04	-54.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3N=CC=CN3N=C2)CC1	REAL300003091567	0	42	0.0	-44.28	322.74	6.90	-37.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3NC=CC3=C2)CC1	REAL300003091568	0	44	0.0	-55.06	332.03	7.94	-47.12
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(=O)N1	REAL300003091569	0	43	0.0	-42.58	321.69	5.55	-37.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C=CNC3=C2)CC1	REAL300003091570	0	44	0.0	-53.77	331.98	7.94	-45.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C(=C2)N=NN3C)CC1	REAL300003091571	0	45	0.0	-43.07	342.94	6.37	-36.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)C(=O)C=C2)CC1	REAL300003091572	0	43	0.0	-44.56	328.58	6.92	-37.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(=O)N(C)C3=CC=CC=C23)CC1	REAL300003091573	0	49	0.0	-44.18	370.32	8.80	-35.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(CC#N)=C2)CC1	REAL300003091574	0	44	0.0	-45.30	339.22	9.05	-36.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=C2OCO3)CC1	REAL300003091575	0	43	0.0	-42.97	325.92	6.67	-36.30
CC(OC1=CC=CC(C#N)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091576	0	48	0.0	-47.88	367.65	9.61	-38.27
CC1=NSC2=NC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C12	REAL300003091577	0	44	0.0	-42.59	344.78	6.75	-35.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(N)=O)C=N2)CC1	REAL300003091578	0	43	0.0	-41.46	328.34	3.81	-37.65
CC1=NN=C2C=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CN12	REAL300003091579	0	45	0.0	-63.52	342.60	9.01	-54.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(N)=O)S2)CC1	REAL300003091580	1	41	0.0	-42.61	325.28	3.69	-38.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=C2OC(C)C(=O)N3)CC1	REAL300003091581	0	49	0.0	-44.28	365.81	6.86	-37.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3CC3)S2)CC1	REAL300003091582	1	43	0.0	-39.20	336.62	7.42	-31.78
CCN1N=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CC1=O	REAL300003091583	0	45	0.0	-40.85	341.66	6.44	-34.41
CC(C)C1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=CO1	REAL300003091584	1	45	0.0	-35.98	334.48	6.09	-29.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(C3CC3)=N2)CC1	REAL300003091585	0	45	0.0	-36.88	340.85	8.43	-28.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=NNN=C3C=C2)CC1	REAL300003091586	0	42	0.0	-39.32	317.52	5.18	-34.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=CC=C3)N=N2)CC1	REAL300003091587	1	46	0.0	-38.42	354.13	8.25	-30.17
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(OC)=C1	REAL300003091588	0	48	0.0	-40.51	359.05	6.94	-33.57
COC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(OC)=C1	REAL300003091589	0	52	0.0	-44.24	390.02	8.11	-36.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC3=CC=CC=C3S2)CC1	REAL300003091590	0	48	0.0	-54.32	380.24	9.25	-45.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=NC3=CC=CC=C3S2)CC1	REAL300003091591	0	51	0.0	-46.88	398.64	10.00	-36.88
CC(=O)C1=C(C)NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003091592	0	49	0.0	-46.55	369.38	8.03	-38.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=CC=C3)C(=O)CC2)CC1	REAL300003091593	0	51	0.0	-41.26	386.13	9.09	-32.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3SCC(=O)NC3=C2)CC1	REAL300003091594	0	46	0.0	-41.71	357.81	6.90	-34.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNC(=O)C2=CC=C(Cl)C=C2)CC1	REAL300003091595	0	50	0.0	-63.06	400.38	7.99	-55.07
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(OC)=C1C	REAL300003091596	0	51	0.0	-38.81	376.27	7.34	-31.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC2=CC=C3OCCOC3=C2)CC1	REAL300003091597	1	50	0.0	-59.78	390.19	8.67	-51.11
CC(=O)C1=CC=CC(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091598	0	49	0.0	-65.73	377.37	9.35	-56.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=CC(C(F)(F)F)=N2)CC1	REAL300003091599	0	43	0.0	-50.89	345.54	7.28	-43.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C3OCCOC3=C2)CC1	REAL300003091600	0	50	0.0	-56.41	380.59	8.64	-47.77
CCN1N=NC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC=C21	REAL300003091601	0	48	0.0	-42.77	364.75	7.25	-35.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2OC3=CC=CC=C3OC2C)CC1	REAL300003091602	0	49	0.0	-43.06	356.54	8.83	-34.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Cl)C(S(C)(=O)=O)=C2)CC1	REAL300003091603	1	46	0.0	-46.77	368.00	5.82	-40.95
CC1=NN(CC(C)C)C(Cl)=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091604	0	56	0.0	-38.52	436.10	10.66	-27.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NC(=O)C3CC3)C=C2)CC1	REAL300003091605	0	51	0.0	-43.26	385.17	8.40	-34.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(NC(=O)C3CC3)=C2)CC1	REAL300003091606	0	51	0.0	-57.08	388.15	8.39	-48.69
COC1=CC=C(OC)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091607	0	48	0.0	-40.62	354.02	7.49	-33.13
CC1=NOC(C)=C1CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091608	0	48	0.0	-55.45	366.98	8.64	-46.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNC(=O)C2=CC=CS2)CC1	REAL300003091609	0	47	0.0	-61.86	375.80	6.48	-55.38
CC1=NOC(C)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091610	0	45	0.0	-46.82	341.41	7.74	-39.08
CCC1=NOC(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091611	1	45	0.0	-42.11	344.93	7.81	-34.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CN(C)N=C2)CC1	REAL300003091612	0	44	0.0	-54.26	339.36	7.33	-46.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNC(=O)C2=CSC=C2)CC1	REAL300003091613	0	47	0.0	-63.55	375.00	6.38	-57.17
CC(=O)NC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300003091614	0	53	0.0	-40.74	409.59	8.86	-31.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC(C3=CC=CC=C3)=NO2)CC1	REAL300003091615	0	51	0.0	-43.84	396.38	8.43	-35.41
CCS(=O)(=O)N1CCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003091616	0	54	0.0	-50.91	398.42	5.60	-45.31
CC1=CC=C(C(=O)CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003091617	0	54	0.0	-40.23	404.07	10.82	-29.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C(=O)C3=CC=CC=C3C2=O)CC1	REAL300003091618	0	47	0.0	-59.16	372.40	8.15	-51.01
CCC1=CC=C(N2CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2=O)C=C1	REAL300003091619	0	57	0.0	-51.43	416.81	10.47	-40.96
CC1=NC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003091620	1	42	0.0	-39.81	328.11	6.62	-33.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C(=O)N(C)C(=O)C3=C2)CC1	REAL300003091621	0	47	0.0	-43.12	364.96	7.22	-35.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)N(C3=CC=CC=C3Cl)C2)CC1	REAL300003091622	0	51	0.0	-46.02	398.94	10.09	-35.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)N(C3=CC=CC=C3F)C2)CC1	REAL300003091623	0	51	0.0	-47.12	389.20	9.41	-37.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCN2C(=O)COC3=CC=CC=C32)CC1	REAL300003091624	0	52	0.0	-54.84	394.67	8.25	-46.59
CC1=NC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2N=C1C	REAL300003091625	0	50	0.0	-39.89	373.14	7.48	-32.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCN2C(=O)C(C)OC3=CC=CC=C32)CC1	REAL300003091626	0	55	0.0	-55.72	413.96	8.87	-46.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC(C3=CSC=C3)=NO2)CC1	REAL300003091627	0	48	0.0	-43.57	386.58	7.31	-36.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC(C3=CC=CS3)=NO2)CC1	REAL300003091628	0	48	0.0	-43.99	387.28	7.43	-36.56
COC1=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(OC)=C1	REAL300003091629	0	52	0.0	-55.47	395.03	8.09	-47.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)CC1	REAL300003091630	0	52	0.0	-47.66	393.27	6.37	-41.29
CC(=O)C1=CN(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091631	0	46	0.0	-42.16	346.03	7.89	-34.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=COC(C3=CC=CC=C3)=N2)CC1	REAL300003091632	0	49	0.0	-48.02	379.98	7.56	-40.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC(Cl)=C3OCCOC3=C2)CC1	REAL300003091633	0	49	0.0	-47.20	384.79	8.67	-38.53
CCN1C(=O)N(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C21	REAL300003091634	0	53	0.0	-52.23	405.66	10.59	-41.64
COC1=CC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C(C)N=C2C=C1	REAL300003091635	0	52	0.0	-39.56	388.77	8.30	-31.26
CC1=NN(C)C(C)=C1CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091636	0	52	0.0	-43.77	386.53	8.49	-35.28
C=C1C2=CC=CC=C2C(=O)N1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091637	0	49	0.0	-53.27	379.13	9.55	-43.72
CC(=O)NC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CS1	REAL300003091638	0	50	0.0	-59.82	397.06	7.68	-52.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=NC=CC=C23)CC1	REAL300003091639	0	45	0.0	-40.36	338.75	8.31	-32.05
CC1=CC=C(C2=CN=C(CCC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)O2)C=C1	REAL300003091640	0	55	0.0	-42.58	422.06	8.95	-33.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(N3CCCS3(=O)=O)=C2)CC1	REAL300003091641	0	52	0.0	-52.13	394.45	6.47	-45.66
CC1=NN(C)C(Cl)=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091642	0	47	0.0	-39.53	374.48	8.25	-31.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C(=O)N(C)C3=CC=CC=C32)CC1	REAL300003091643	0	50	0.0	-50.91	383.19	9.66	-41.25
CC(=O)NC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091644	0	51	0.0	-48.05	389.01	8.37	-39.68
CC1=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C(C2=CC=CS2)O1	REAL300003091645	0	49	0.0	-48.48	392.85	7.12	-41.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C3NC(=O)CCC3=C2)CC1	REAL300003091646	0	52	0.0	-62.26	395.94	8.12	-54.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNC(=O)C(C)(C)C)CC1	REAL300003091647	0	52	0.0	-48.96	383.57	6.37	-42.59
CC(C)C1=NOC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003091648	0	50	0.0	-42.39	379.36	6.45	-35.94
COC1=CC=CC(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091649	0	48	0.0	-60.22	365.59	8.24	-51.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(CC3=CC=CC=C3)C(=O)CC2)CC1	REAL300003091650	0	54	0.0	-42.08	409.56	9.54	-32.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN(C)S(=O)(=O)C2=CC=CC=C2)CC1	REAL300003091651	0	51	0.0	-61.85	401.87	6.69	-55.16
CC(=O)NC1=CC=C(SC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091652	1	54	0.0	-58.58	423.29	8.96	-49.62
COC1=CC=CC(SCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091653	1	48	0.0	-58.54	375.19	8.83	-49.71
CC1=NC2=CC(F)=CC=C2C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091654	0	48	0.0	-40.77	367.18	8.99	-31.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CN=CO3)C=C2)CC1	REAL300003091655	0	46	0.0	-45.15	351.02	6.27	-38.88
CC(C)S(=O)(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091656	1	52	0.0	-42.81	397.38	6.96	-35.85
CNC(=O)C1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091657	0	51	0.0	-46.30	389.35	7.74	-38.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(C(=O)NC3CC3)C=C2)CC1	REAL300003091658	0	55	0.0	-48.99	420.95	9.45	-39.54
CC1=NN(C2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2)CC1	REAL300003091659	0	52	0.0	-40.05	387.80	9.32	-30.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(C(=O)N(C)C)CC2)CC1	REAL300003091660	0	55	0.0	-51.61	385.09	7.26	-44.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1	REAL300003091661	0	59	0.0	-52.25	414.00	8.52	-43.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN(C(=O)N3CCCC3)C2)CC1	REAL300003091662	0	59	0.0	-42.76	408.76	8.41	-34.35
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1S(C)(=O)=O	REAL300003091663	1	49	0.0	-48.28	369.71	6.05	-42.23
CC1=NN2C(=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)N=C(C)C=C2C	REAL300003091664	0	51	0.0	-42.56	391.34	8.82	-33.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CN(C)N=C2)CC1	REAL300003091665	0	46	0.0	-54.83	351.39	7.61	-47.22
CSC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C2C=CC=CN12	REAL300003091666	0	47	0.0	-39.00	367.65	10.31	-28.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(N3C=CC=C3)=C2)CC1	REAL300003091667	0	48	0.0	-41.10	357.84	10.65	-30.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(C3=CC=CC=C3)=C2)CC1	REAL300003091668	1	46	0.0	-36.22	354.88	9.57	-26.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3NC(=O)CCC3=C2)CC1	REAL300003091669	0	48	0.0	-43.57	357.29	7.08	-36.49
C=CCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003091670	0	52	0.0	-56.88	393.89	8.62	-48.26
CC(=O)N1CCC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC=C21	REAL300003091671	0	51	0.0	-56.56	379.17	8.94	-47.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Br)=CN2C)CC1	REAL300003091672	0	41	0.0	-37.28	322.58	8.00	-29.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC(Cl)=CC=C2Cl)CC1	REAL300003091673	0	44	0.0	-57.33	368.86	10.00	-47.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(S(N)(=O)=O)=C2)CC1	REAL300003091674	1	42	0.0	-42.41	344.58	1.84	-40.57
C=CCC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(OC)=C1OC	REAL300003091675	0	55	0.0	-55.08	414.46	9.15	-45.93
CSC1=CC=C([N+](=O)[O-])C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091676	1	46	0.0	-41.98	364.65	10.48	-31.50
COCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003091677	1	44	0.0	-37.57	336.50	6.15	-31.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300003091678	0	46	0.0	-56.30	365.92	10.02	-46.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCN2C(=O)NC(=O)C3=CC=CC=C32)CC1	REAL300003091679	0	52	0.0	-44.25	396.23	7.34	-36.91
CC(C)=CC1C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C1(C)C	REAL300003091680	0	53	0.0	-37.06	381.49	10.45	-26.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCCN2S(C)(=O)=O)CC1	REAL300003091681	0	51	0.0	-54.40	370.98	5.71	-48.69
CC(=O)NC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CCCC1	REAL300003091682	0	53	0.0	-38.97	374.22	7.10	-31.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC3=CC=CC=C3Cl)N=C2)CC1	REAL300003091683	0	50	0.0	-40.77	395.20	10.00	-30.77
COC1=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1C	REAL300003091684	0	50	0.0	-44.18	373.58	9.02	-35.16
CNS(=O)(=O)C1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091685	0	52	0.0	-48.77	409.49	5.63	-43.14
COC1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1F	REAL300003091686	0	50	0.0	-56.15	384.31	9.21	-46.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC(Cl)=CC=C2Cl)CC1	REAL300003091687	0	44	0.0	-40.82	363.92	10.39	-30.43
CC(C)C1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091688	0	55	0.0	-39.74	405.70	11.72	-28.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300003091689	0	44	0.0	-54.21	369.56	10.52	-43.69
COC1=CC=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091690	0	50	0.0	-52.91	378.08	9.13	-43.78
CC1=CC=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091691	0	49	0.0	-51.63	369.98	10.50	-41.13
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=CC=C1	REAL300003091692	0	50	0.0	-39.32	374.17	9.48	-29.84
COC1=CC=C(SCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091693	0	51	0.0	-53.99	396.85	9.58	-44.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(CSC3=CC=CC=C3)C=CO2)CC1	REAL300003091694	1	51	0.0	-39.64	399.02	11.23	-28.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(Cl)C=C2)CC1	REAL300003091695	0	46	0.0	-40.83	362.21	10.31	-30.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC(Cl)=C2)CC1	REAL300003091696	0	46	0.0	-52.09	365.31	10.34	-41.75
CC1=CC(C)=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=C1	REAL300003091697	0	50	0.0	-37.43	372.63	9.68	-27.75
CC1=CC=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=C1	REAL300003091698	0	47	0.0	-39.05	351.88	9.02	-30.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=COC(C3=CC=CS3)=N2)CC1	REAL300003091699	0	46	0.0	-48.48	370.82	6.54	-41.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCSC2=CC=C(Cl)C=C2)CC1	REAL300003091700	0	50	0.0	-55.69	405.60	11.57	-44.12
CC1=CC=C(C(=O)CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091701	0	51	0.0	-52.24	390.20	10.33	-41.91
CC1=CC=CC(C(=O)NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)C)=C1	REAL300003091702	0	59	0.0	-53.82	426.70	9.13	-44.69
CC(=O)C1=CC=C(OCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091703	0	55	0.0	-62.22	418.94	9.82	-52.40
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1OC(C)C	REAL300003091704	0	54	0.0	-41.63	396.04	8.66	-32.97
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1OCCC(C)C	REAL300003091705	0	60	0.0	-41.09	440.14	10.19	-30.90
CC(C)C(NC(=O)C1=CC=CO1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091706	0	53	0.0	-54.05	387.07	6.65	-47.40
CCCCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003091707	0	57	0.0	-41.23	422.58	9.67	-31.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Cl)S2)CC1	REAL300003091708	1	37	0.0	-37.42	306.14	7.56	-29.86
COC1=CC=C(OCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091709	0	54	0.0	-57.48	408.05	8.70	-48.78
CCOC1=CC=CC=C1OCCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091710	0	57	0.0	-58.98	429.65	10.24	-48.74
CC1=CC=C(OCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091711	0	53	0.0	-56.11	399.96	10.09	-46.02
CC1=CC=CC(OCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091712	0	53	0.0	-56.28	399.96	10.09	-46.19
CC(C)CCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091713	0	56	0.0	-37.08	409.43	10.26	-26.82
CCCCCCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091714	0	59	0.0	-37.20	434.86	11.30	-25.90
CC(C)OC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091715	0	50	0.0	-37.30	369.15	8.85	-28.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(=O)C3=CC=CC=C3)C=C2)CC1	REAL300003091716	0	52	0.0	-43.34	394.74	11.14	-32.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC([N+](=O)[O-])=CC=C3S2)CC1	REAL300003091717	1	45	0.0	-42.25	362.90	9.94	-32.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3CCCCC3=C2)CC1	REAL300003091718	0	50	0.0	-37.54	359.66	10.37	-27.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC3=CC=CC=C3C(=O)N2)CC1	REAL300003091719	0	51	0.0	-58.05	393.15	8.31	-49.74
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003091720	0	49	0.0	-51.30	362.02	10.26	-41.04
CC1=NC(COC2=CC=CC=C2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NO1	REAL300003091721	0	52	0.0	-45.37	402.97	7.17	-38.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC3=CC=CC=C23)CC1	REAL300003091722	0	43	0.0	-37.52	335.10	9.36	-28.16
CC1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1	REAL300003091723	0	52	0.0	-39.76	382.27	10.93	-28.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC2C2=CC=CC=C2C(F)(F)F)CC1	REAL300003091724	0	50	0.0	-39.10	376.78	11.00	-28.10
CC1=CC=C(F)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091725	0	43	0.0	-37.21	324.21	8.65	-28.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCNC3=O)C=C2)CC1	REAL300003091726	0	50	0.0	-44.91	369.45	6.61	-38.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC=C2OC(F)F)CC1	REAL300003091727	0	48	0.0	-44.87	371.06	9.10	-35.77
CC1=CC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(=O)N1	REAL300003091728	0	46	0.0	-43.50	341.34	6.18	-37.32
CC1=NN(C)C(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091729	0	46	0.0	-43.25	348.25	6.98	-36.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C3OCCC3=C2)CC1	REAL300003091730	0	49	0.0	-54.53	371.99	9.34	-45.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC3=CC=CC=C3O2)CC1	REAL300003091731	0	47	0.0	-53.24	366.28	10.06	-43.18
COC1=CC=C(C2=NNC=C2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091732	0	51	0.0	-43.61	381.70	7.16	-36.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=CC=C3)C3=C2CCC3)CC1	REAL300003091733	0	54	0.0	-37.84	404.71	11.54	-26.30
CC(NC(=O)C1=CC=CS1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091734	0	47	0.0	-55.07	370.97	6.36	-48.71
CC(=O)NCCNC(=O)CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091735	0	53	0.0	-45.71	405.92	3.50	-42.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC3=CC=CC=C32)CC1	REAL300003091736	0	50	0.0	-40.68	365.26	10.74	-29.94
CC1=CC=C(Br)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091737	0	43	0.0	-36.64	339.12	9.20	-27.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CCCC3)NC2=O)CC1	REAL300003091738	0	50	0.0	-41.59	371.13	7.45	-34.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)OC2=CC=CC(Cl)=C2)CC1	REAL300003091739	0	50	0.0	-47.15	375.88	9.22	-37.93
CC(OC1=CC=C(F)C=C1Cl)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091740	0	47	0.0	-60.04	371.58	9.81	-50.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)CC1	REAL300003091741	0	62	0.0	-36.48	427.22	12.07	-24.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNC(=O)C(Br)=C2)CC1	REAL300003091742	0	40	0.0	-58.88	325.58	5.43	-53.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)C3CC3)C=C2)CC1	REAL300003091743	0	54	0.0	-59.34	413.24	9.47	-49.87
CC(C)C1=NN(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091744	0	49	0.0	-38.22	358.46	7.58	-30.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3F)CC2)CC1	REAL300003091745	0	47	0.0	-36.69	345.51	9.81	-26.88
CC1=NOC(C2=CC=CC=C2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003091746	0	48	0.0	-42.89	368.50	8.16	-34.73
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=N1	REAL300003091747	1	42	0.0	-35.17	320.66	3.93	-31.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3CCCCC3)N=C2)CC1	REAL300003091748	0	53	0.0	-52.00	386.25	8.90	-43.10
CC1=CC=CC=C1N1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003091749	0	50	0.0	-40.26	378.05	10.06	-30.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(SC3=CC=CC=C3)CCCC2)CC1	REAL300003091751	1	54	0.0	-38.43	388.62	11.02	-27.41
CC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1=CC=CC=C1	REAL300003091752	1	49	0.0	-42.05	372.04	10.31	-31.74
COC1=CC=CC=C1CC(C)(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091753	0	56	0.0	-41.35	390.54	9.60	-31.75
COCCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091754	0	51	0.0	-39.26	382.49	7.43	-31.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2CCCCO2)CC1	REAL300003091755	0	50	0.0	-37.63	359.98	7.93	-29.70
CC(CSC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091756	0	50	0.0	-39.97	380.36	10.63	-29.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300003091757	1	43	0.0	-37.17	334.10	8.77	-28.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(=O)NC3=CC=C([N+](=O)[O-])C=C32)CC1	REAL300003091758	0	48	0.0	-45.42	382.44	7.76	-37.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3=CC(F)=CC=C3O2)CC1	REAL300003091759	0	45	0.0	-58.70	345.40	9.15	-49.55
CCC(OC1CCCC1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091760	0	53	0.0	-53.15	382.57	9.68	-43.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(NC3=CN=CC=N3)=C2)CC1	REAL300003091761	0	50	0.0	-56.90	382.00	7.42	-49.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NNC3=CC=CC=C3C2=O)CC1	REAL300003091762	0	45	0.0	-47.01	343.74	8.31	-38.70
CC(C)N1C=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003091763	0	46	0.0	-38.01	342.62	7.71	-30.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(S(C)(=O)=O)O2)CC1	REAL300003091764	1	43	0.0	-47.61	344.21	3.87	-43.74
CCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003091765	0	50	0.0	-37.37	368.91	8.88	-28.49
CCN(CC)S(=O)(=O)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091766	1	50	0.0	-51.49	380.85	5.06	-46.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2CCCC(C)C2)CC1	REAL300003091767	0	53	0.0	-43.31	379.38	9.68	-33.63
CC1=NOC(COCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003091768	0	45	0.0	-51.41	350.13	4.99	-46.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=C2CCC(C)CC2)CC1	REAL300003091769	0	50	0.0	-37.38	355.19	9.66	-27.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=CN3N=CC=C3C2=O)CC1	REAL300003091770	0	45	0.0	-45.84	352.42	7.10	-38.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)S(C)(=O)=O)CC1	REAL300003091771	1	45	0.0	-67.73	330.87	3.57	-64.16
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(OC)=C1OC	REAL300003091772	0	52	0.0	-40.77	389.34	7.03	-33.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2)CC1	REAL300003091773	0	40	0.0	-37.75	330.33	8.91	-28.84
CCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OCC	REAL300003091774	0	54	0.0	-41.36	401.43	9.01	-32.35
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003091775	0	48	0.0	-41.67	357.72	7.18	-34.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3NC4=C(CC(C)CC4)C3=C2)CC1	REAL300003091776	0	57	0.0	-38.69	413.30	10.98	-27.71
CCCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003091777	0	52	0.0	-41.77	381.36	10.81	-30.96
CC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003091778	0	44	0.0	-50.63	340.20	8.48	-42.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(OC(F)F)C=C2)CC1	REAL300003091779	0	48	0.0	-42.49	372.11	9.05	-33.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NC(N)=O)C=C2)CC1	REAL300003091780	0	46	0.0	-43.31	347.47	4.02	-39.29
CC1=CC(C)=C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1	REAL300003091781	0	53	0.0	-42.83	398.49	11.12	-31.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)CC2=CC=CC=C2)CC1	REAL300003091782	0	50	0.0	-55.60	386.14	7.46	-48.14
CC1=CC=C(S(=O)(=O)NC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091783	0	54	0.0	-46.18	413.43	5.65	-40.53
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091784	0	45	0.0	-42.26	346.81	9.21	-33.05
CC(=O)NCCCCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091785	0	52	0.0	-57.94	392.45	6.72	-51.22
CC1=CC=C(CN2CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2=O)C=C1	REAL300003091786	0	57	0.0	-46.86	425.93	10.38	-36.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OCC3CCCO3)C=C2)CC1	REAL300003091787	0	55	0.0	-39.27	405.80	8.53	-30.74
CC1=CC(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1C(C)C	REAL300003091788	0	56	0.0	-56.97	413.89	11.40	-45.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(NS(C)(=O)=O)=C2)CC1	REAL300003091789	0	48	0.0	-65.06	377.97	4.52	-60.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3)CC2)CC1	REAL300003091790	0	47	0.0	-38.70	348.23	9.83	-28.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(Cl)C=C3)CC2)CC1	REAL300003091791	0	47	0.0	-52.15	368.34	10.37	-41.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL300003091792	0	43	0.0	-44.77	330.51	9.05	-35.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2N2CCCC2)CC1	REAL300003091793	0	54	0.0	-39.93	397.79	9.12	-30.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C3OCCOC3=C2)CC1	REAL300003091794	0	49	0.0	-44.69	368.53	8.13	-36.56
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091795	0	59	0.0	-40.63	427.34	9.12	-31.51
CC1=CC=CC=C1C(=O)NC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C(C)C	REAL300003091796	0	59	0.0	-53.24	420.71	9.37	-43.87
COC1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1Cl	REAL300003091797	0	50	0.0	-54.66	394.12	9.68	-44.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300003091798	0	46	0.0	-53.63	380.50	10.80	-42.83
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=C(F)C=C1F	REAL300003091799	0	50	0.0	-40.62	387.70	9.72	-30.90
CC1=NOC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003091800	0	44	0.0	-42.78	337.06	5.38	-37.40
CC1=CC=CC(COC2=CC=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)=C1	REAL300003091801	0	57	0.0	-41.19	429.63	11.83	-29.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCNC(=O)C(C)(C)C)CC1	REAL300003091802	0	55	0.0	-56.37	408.20	7.21	-49.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOC2=CC=C(F)C=C2)CC1	REAL300003091803	0	50	0.0	-56.78	384.96	9.49	-47.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=C3C=CC=CN3C2=O)CC1	REAL300003091804	0	46	0.0	-48.38	357.68	8.66	-39.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(Br)C=C3)CC2)CC1	REAL300003091805	0	47	0.0	-52.20	372.91	10.48	-41.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(OCC3CCCO3)=C2)CC1	REAL300003091806	0	55	0.0	-57.90	408.73	8.60	-49.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)NC(=O)C(C)(C)C)CC1	REAL300003091807	0	52	0.0	-39.21	378.71	6.22	-32.99
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=NNC(=O)C=C1	REAL300003091808	0	49	0.0	-43.11	375.22	6.26	-36.85
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=CC=C1F	REAL300003091809	0	50	0.0	-41.74	381.26	9.65	-32.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=C(Br)C=C3N2)CC1	REAL300003091810	0	44	0.0	-39.05	351.78	8.97	-30.08
CC1=CC=CC=C1OCCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091811	0	53	0.0	-55.96	398.62	10.17	-45.79
CC1=NOC(C2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2)=N1	REAL300003091812	0	48	0.0	-41.19	369.25	7.27	-33.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC(Cl)=C3)CCC2)CC1	REAL300003091813	0	50	0.0	-38.11	375.16	10.62	-27.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(F)C=C3)CCC2)CC1	REAL300003091814	0	50	0.0	-37.87	364.76	10.20	-27.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC(F)=C3)CCC2)CC1	REAL300003091815	0	50	0.0	-39.04	364.84	10.18	-28.86
CC1=CC=CC(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCC2)=C1	REAL300003091816	0	53	0.0	-36.24	379.84	10.78	-25.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC(F)=CC=C3N2)CC1	REAL300003091817	0	44	0.0	-40.86	336.93	8.43	-32.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC(Cl)=C3)CCCCC2)CC1	REAL300003091818	0	56	0.0	-40.11	400.62	11.56	-28.55
CCCC1=NNC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091819	0	46	0.0	-39.06	343.30	6.88	-32.18
CSC1=CC=C(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091820	0	47	0.0	-37.12	358.03	9.60	-27.52
CC(C)C(=O)N1CCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003091821	0	56	0.0	-49.97	396.87	8.40	-41.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=C(Cl)C=C3)N=C2)CC1	REAL300003091822	0	47	0.0	-39.75	373.89	9.59	-30.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=C([N+](=O)[O-])C=C3)N=C2)CC1	REAL300003091823	0	49	0.0	-43.90	385.36	9.74	-34.16
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091824	0	47	0.0	-61.05	382.58	10.32	-50.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3(C)NC(=O)NC3=O)C=C2)CC1	REAL300003091825	0	52	0.0	-43.51	393.36	4.96	-38.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=C(Cl)C=C3N2)CC1	REAL300003091826	0	44	0.0	-39.07	347.23	8.86	-30.21
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=CC=C1	REAL300003091827	0	53	0.0	-39.71	393.68	10.15	-29.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3N=CC=C(C4=CC=CC=C4)N3N=C2)CC1	REAL300003091828	0	52	0.0	-45.21	403.01	10.36	-34.85
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=C(C)C=C1	REAL300003091829	0	56	0.0	-40.23	418.93	10.92	-29.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=C(C(C)(C)C)C=C3N2)CC1	REAL300003091830	0	56	0.0	-38.64	406.48	10.68	-27.96
COC1=CC=C(COCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091831	0	51	0.0	-58.43	391.17	8.73	-49.70
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1C1=CC=C(F)C=C1	REAL300003091832	1	49	0.0	-36.82	376.45	8.76	-28.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2N(C)C2=CC=CC=C2)CC1	REAL300003091833	0	55	0.0	-40.26	411.02	12.14	-28.12
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=C(F)C=C1	REAL300003091834	0	53	0.0	-39.84	404.01	10.32	-29.52
CC1=CC=C(N2N=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2C(C)C)C=C1	REAL300003091835	0	59	0.0	-38.19	425.65	11.19	-27.00
CC(C)NC(=O)NC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091836	0	55	0.0	-47.09	409.88	7.05	-40.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(N3CCNC3=O)=C2)CC1	REAL300003091837	0	50	0.0	-50.16	369.46	6.58	-43.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C(C)(C)C)=NN2)CC1	REAL300003091838	0	49	0.0	-38.98	360.83	7.23	-31.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NNC3=C2CCCC3)CC1	REAL300003091839	0	47	0.0	-37.60	341.23	7.40	-30.20
CC1=CC=C(N2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=N2)C=C1	REAL300003091840	1	49	0.0	-37.67	375.13	8.94	-28.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC=C(Cl)C=C2)CC1	REAL300003091841	0	49	0.0	-54.69	386.81	11.13	-43.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC(NC(=O)C3CC3)=C2)CC1	REAL300003091842	0	55	0.0	-65.73	422.14	9.40	-56.33
COCC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091843	0	47	0.0	-37.33	346.50	7.78	-29.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC2=CC=CC=C2Cl)CC1	REAL300003091844	0	45	0.0	-55.62	354.46	7.84	-47.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(CC3=CC=CC=C3F)=N2)CC1	REAL300003091845	1	49	0.0	-36.48	392.22	10.30	-26.18
CSC1=CC=C(OC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091846	0	51	0.0	-57.84	389.26	10.21	-47.63
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091847	0	54	0.0	-39.50	406.18	9.27	-30.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(N3CCNC3=O)=CC=C2F)CC1	REAL300003091848	0	50	0.0	-44.71	378.47	6.74	-37.97
COC1=CC=CC(NC2=CC=CC=C2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091849	0	56	0.0	-41.46	422.05	9.70	-31.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)C2=CSC=C2)CC1	REAL300003091850	0	43	0.0	-39.86	328.25	8.29	-31.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)C2=CC=CS2)CC1	REAL300003091851	0	43	0.0	-36.80	331.22	8.52	-28.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=C(F)C=C3)N=C2)CC1	REAL300003091852	1	46	0.0	-37.12	361.91	8.27	-28.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=CC(F)=C2)CC1	REAL300003091853	0	49	0.0	-35.40	349.95	9.61	-25.79
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300003091854	0	52	0.0	-53.87	400.74	11.26	-42.61
CCC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(C)C=C1	REAL300003091855	0	55	0.0	-40.32	400.02	11.55	-28.77
CC(CC1=CC=CC=C1F)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091856	0	49	0.0	-36.89	366.16	10.11	-26.78
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1C(F)(F)F	REAL300003091857	0	52	0.0	-54.73	394.85	11.07	-43.66
CC(C)C(CC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091858	0	55	0.0	-38.89	384.28	10.73	-28.16
CC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091859	0	52	0.0	-52.91	402.19	11.11	-41.80
CC(CC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091860	0	52	0.0	-40.68	399.40	11.10	-29.58
CC(C)C1=CC=C(C(C)CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091861	0	58	0.0	-39.09	419.15	12.16	-26.93
CC1=CSC(C2=CC=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)=N1	REAL300003091862	0	49	0.0	-41.84	383.77	9.35	-32.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=CC(Cl)=C2)CC1	REAL300003091863	0	49	0.0	-34.57	358.41	10.00	-24.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC(Cl)=CS2)CC1	REAL300003091864	0	43	0.0	-40.13	352.59	9.39	-30.74
CC1=CC=CC(C(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091865	0	49	0.0	-42.04	358.44	9.90	-32.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2OC2CCCCC2)CC1	REAL300003091866	0	57	0.0	-38.19	410.37	11.10	-27.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CS3)CCCCC2)CC1	REAL300003091867	0	53	0.0	-35.86	376.82	10.36	-25.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(C3=COC=C3)=N2)CC1	REAL300003091868	0	46	0.0	-45.63	370.80	7.95	-37.68
CCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C(C)C)=N1	REAL300003091869	0	52	0.0	-41.22	388.58	8.53	-32.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CCCCC3)NC2=O)CC1	REAL300003091870	0	53	0.0	-41.41	386.15	7.92	-33.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCN2C(=O)CCC3=CC=CC=C32)CC1	REAL300003091871	0	54	0.0	-54.91	403.37	10.17	-44.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCN2C(=O)CCC3=CC(F)=CC=C32)CC1	REAL300003091872	0	54	0.0	-55.45	409.79	10.24	-45.21
CCC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091873	0	49	0.0	-53.58	370.07	10.46	-43.12
COC1=CC=CC=C1C1=NN(C)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091874	0	54	0.0	-47.92	405.27	8.82	-39.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=NC(C3CC3)=NO2)CC1	REAL300003091875	0	51	0.0	-48.82	389.94	7.68	-41.14
CCCCSCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091876	0	49	0.0	-50.82	376.37	9.74	-41.08
CC1=NOC(C)=C1CC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091877	0	51	0.0	-54.73	372.96	8.63	-46.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C3=CN(C)N=C3)=C2)CC1	REAL300003091878	0	50	0.0	-42.54	377.55	9.18	-33.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC(C3=COC=C3)=NO2)CC1	REAL300003091879	0	48	0.0	-45.10	378.33	6.39	-38.71
CC(C)=CCSC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091880	0	54	0.0	-38.43	412.20	11.82	-26.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(=O)NCC(C)(C)C)C=C2)CC1	REAL300003091881	0	59	0.0	-45.19	432.83	9.22	-35.97
CC(C)NS(=O)(=O)C1=CNC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091882	0	52	0.0	-44.57	403.70	3.88	-40.69
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1NC(=O)CC(C)C	REAL300003091883	0	59	0.0	-40.79	431.04	9.86	-30.93
CC(C)CNC(=O)N1CCCC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C1	REAL300003091884	0	64	0.0	-47.40	455.46	9.33	-38.07
CC(C)=CCOC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091885	0	54	0.0	-55.28	402.90	10.12	-45.16
CC(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091886	0	53	0.0	-41.47	411.59	8.86	-32.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC(C3=CC=CC=C3)CC2)CC1	REAL300003091887	0	59	0.0	-52.19	424.26	12.74	-39.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCCC3=CC=CC=C32)CC1	REAL300003091888	0	53	0.0	-39.38	377.94	11.25	-28.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC3=CC=CC=C3C2)CC1	REAL300003091889	0	53	0.0	-40.79	382.18	11.37	-29.42
CC(C)COC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091890	0	56	0.0	-55.20	420.14	10.74	-44.46
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(C)=C1OC(F)F	REAL300003091891	0	50	0.0	-39.16	375.53	8.95	-30.21
CSC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC=C1	REAL300003091892	1	41	0.0	-36.28	326.50	7.92	-28.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC(Br)=CS2)CC1	REAL300003091893	0	43	0.0	-39.99	357.18	9.50	-30.49
CC(C)COC1=CC=C(C(C)(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091894	0	62	0.0	-50.58	438.40	11.26	-39.32
COC1=CC=CC=C1CC(C)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091895	0	56	0.0	-42.22	408.53	10.36	-31.86
CC(OC1=CC=CC=C1Br)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091896	0	47	0.0	-59.16	369.57	9.85	-49.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=CC3=CC=CC=C32)CC1	REAL300003091897	0	46	0.0	-45.99	352.84	8.50	-37.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC2C2=CC=C(Cl)C=C2Cl)CC1	REAL300003091898	0	47	0.0	-42.10	382.41	11.20	-30.90
COC1=CC=C(C(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091899	0	50	0.0	-55.32	369.42	8.60	-46.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CC=CN3N=C2)CC1	REAL300003091900	0	43	0.0	-41.26	324.08	7.70	-33.56
CCC1=C2NC=C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=CC=C1	REAL300003091901	0	53	0.0	-42.37	398.93	10.42	-31.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CCCN2C(=O)C2=CC=CC=C2)CC1	REAL300003091902	0	57	0.0	-51.48	404.17	10.46	-41.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2N(C)C(=O)C2=CC=CO2)CC1	REAL300003091903	0	54	0.0	-47.44	414.37	10.06	-37.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C2=CC=CC=C2Cl)CC1	REAL300003091904	0	50	0.0	-46.99	392.53	9.92	-37.07
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1S(N)(=O)=O	REAL300003091905	0	48	0.0	-43.92	367.11	3.60	-40.32
COC1=CC=CC(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCCC2)=C1	REAL300003091906	0	57	0.0	-38.37	398.81	10.25	-28.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2OC2CCCC2)CC1	REAL300003091907	0	54	0.0	-38.24	393.78	10.53	-27.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(OC3CCCC3)=C2)CC1	REAL300003091908	0	54	0.0	-39.88	390.97	10.06	-29.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C3=COC=C3)=N2)CC1	REAL300003091909	1	43	0.0	-36.05	346.70	7.64	-28.41
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1F	REAL300003091910	0	53	0.0	-43.34	405.77	10.31	-33.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=CC([N+](=O)[O-])=C3)N=N2)CC1	REAL300003091911	1	48	0.0	-46.08	381.80	8.87	-37.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCCCC2=CC=CS2)CC1	REAL300003091912	0	52	0.0	-53.20	403.30	11.27	-41.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C(=O)CCC3=CC=CC=C32)CC1	REAL300003091913	0	51	0.0	-45.64	379.30	9.55	-36.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)N(C3CCC(C)CC3)C2)CC1	REAL300003091914	0	60	0.0	-48.38	421.87	9.71	-38.67
CSC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003091915	1	41	0.0	-37.74	324.22	7.42	-30.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)CCCC2=CC=CC=C2)CC1	REAL300003091916	0	58	0.0	-52.06	414.12	11.70	-40.36
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1F	REAL300003091917	0	46	0.0	-36.26	344.40	9.39	-26.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2C2=CC=CC=C2)CC1	REAL300003091918	0	50	0.0	-39.29	377.64	11.43	-27.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2CCCCC2)CC1	REAL300003091919	0	55	0.0	-51.24	390.86	10.77	-40.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2CCC2=CC=CC=C2)CC1	REAL300003091920	0	56	0.0	-37.82	419.18	13.07	-24.75
CC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300003091921	0	45	0.0	-44.51	348.35	9.65	-34.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC(F)F)C=C2)CC1	REAL300003091922	0	44	0.0	-39.47	336.34	7.48	-31.99
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CC=CC=C2)=NO1	REAL300003091923	0	49	0.0	-38.16	379.84	9.92	-28.24
CC1=CC(Cl)=CC=C1OC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091924	0	50	0.0	-42.75	382.90	10.43	-32.32
COC1=CC=C(Cl)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091925	0	44	0.0	-39.96	341.31	8.70	-31.26
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C([N+](=O)[O-])C=C1OC	REAL300003091926	1	50	0.0	-43.07	383.05	8.68	-34.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CCCC3)S2)CC1	REAL300003091927	1	47	0.0	-35.10	350.88	9.51	-25.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CCC3)S2)CC1	REAL300003091928	1	44	0.0	-35.10	332.71	8.90	-26.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(COC3=CC=CC=C3)C=C2)CC1	REAL300003091929	0	54	0.0	-41.21	408.80	11.16	-30.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3CC3)C=CS2)CC1	REAL300003091930	1	44	0.0	-38.15	338.53	9.14	-29.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3=CC=CC=C3)C=CS2)CC1	REAL300003091931	1	47	0.0	-38.82	361.04	10.44	-28.38
COC1=CC=C2OC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C(C)C2=C1	REAL300003091932	1	50	0.0	-38.13	375.39	8.68	-29.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1	REAL300003091933	0	48	0.0	-57.33	375.40	5.62	-51.71
CC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091934	0	47	0.0	-40.32	354.35	10.13	-30.19
CC1=C(S(N)(=O)=O)C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003091935	1	45	0.0	-47.95	355.35	1.97	-45.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC2C2=CC=CC(F)=C2F)CC1	REAL300003091936	0	47	0.0	-41.48	355.22	10.28	-31.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC(F)=C3O2)CC1	REAL300003091937	1	43	0.0	-37.76	334.11	8.78	-28.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC2=CC=C(Cl)C=C2)CC1	REAL300003091938	1	44	0.0	-43.98	359.33	10.01	-33.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(C3=CC=CC=C3)=N2)CC1	REAL300003091939	0	49	0.0	-45.29	387.72	9.94	-35.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32)CC1	REAL300003091940	0	49	0.0	-51.25	388.14	4.60	-46.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(COC3=CC=CC=C3)C=CO2)CC1	REAL300003091941	1	51	0.0	-38.87	389.27	9.67	-29.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NC(=O)C3CC3)S2)CC1	REAL300003091942	1	48	0.0	-39.04	373.84	7.44	-31.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=C(Cl)N2)CC1	REAL300003091943	0	38	0.0	-37.85	317.47	7.15	-30.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=C(Cl)C=C3)=NN2)CC1	REAL300003091944	0	47	0.0	-40.07	374.20	8.89	-31.18
CC1=CC=C(C2=NNC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)C=C1	REAL300003091945	0	50	0.0	-40.11	378.86	9.05	-31.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CN3C=CC=N3)C=C2)CC1	REAL300003091946	0	50	0.0	-40.22	381.37	9.58	-30.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)N(C)C3=CC=CC=C32)CC1	REAL300003091947	0	51	0.0	-61.02	378.33	8.81	-52.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3=CC=CC=C3S2)CC1	REAL300003091948	1	45	0.0	-53.94	349.65	9.82	-44.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2CC3=CC=CC=C3NC2=O)CC1	REAL300003091949	0	54	0.0	-48.14	400.62	8.82	-39.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC=C(C3=CC=CC=C3F)O2)CC1	REAL300003091950	0	52	0.0	-43.36	408.20	8.35	-35.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC3=CC=CC=C23)CC1	REAL300003091951	0	50	0.0	-42.54	376.25	11.62	-30.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)NC3=CC(F)=CC=C32)CC1	REAL300003091952	0	48	0.0	-59.75	365.19	7.06	-52.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC2=CC=C(C(C)(C)C)C=C2)CC1	REAL300003091953	1	56	0.0	-43.12	418.76	11.81	-31.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)NCC2=CC=C(F)C=C2)CC1	REAL300003091954	0	52	0.0	-55.48	408.50	6.23	-49.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1	REAL300003091955	0	51	0.0	-45.91	377.49	4.71	-41.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2N(C)S(C)(=O)=O)CC1	REAL300003091956	0	51	0.0	-40.70	394.54	6.49	-34.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(SC(F)F)C=C2)CC1	REAL300003091957	0	44	0.0	-38.61	346.83	9.12	-29.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300003091958	0	50	0.0	-43.66	384.69	8.84	-34.82
CC1=NN2C(=C1)N=CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)=C2C	REAL300003091959	0	48	0.0	-42.42	357.79	7.90	-34.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NS(C)(=O)=O)C=C2)CC1	REAL300003091960	0	48	0.0	-45.44	375.04	4.53	-40.91
COC1=CC=C(F)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091961	0	44	0.0	-40.34	330.99	8.26	-32.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300003091962	0	50	0.0	-48.85	382.93	10.18	-38.67
CC1=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C(C2=CC=CC=C2)O1	REAL300003091963	0	52	0.0	-48.11	401.30	8.15	-39.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC3=CC=CC=C3)N=N2)CC1	REAL300003091964	1	49	0.0	-38.89	378.97	8.74	-30.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCNC(=O)NC2CCCCC2)CC1	REAL300003091965	0	61	0.0	-57.28	448.07	7.37	-49.91
C=CCOC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091966	0	48	0.0	-39.42	364.24	9.18	-30.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(OC(F)F)C=C2)CC1	REAL300003091967	0	50	0.0	-43.57	384.74	9.37	-34.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3NC4=C(CCCC4)C3=CC=C2)CC1	REAL300003091968	0	54	0.0	-38.16	395.49	10.41	-27.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NNC3=CC=C([N+](=O)[O-])C=C32)CC1	REAL300003091969	0	45	0.0	-44.72	353.82	7.89	-36.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3=CC=CC=C3)S2)CC1	REAL300003091970	1	46	0.0	-37.96	361.58	8.79	-29.17
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=CC(Cl)=C1	REAL300003091971	0	50	0.0	-38.71	393.13	10.07	-28.64
CC(=O)NCC(=O)NCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091972	0	47	0.0	-57.62	364.82	2.15	-55.47
CC1=C(C)C2=CC=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2N1	REAL300003091974	0	50	0.0	-38.52	369.34	9.19	-29.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(S(N)(=O)=O)S2)CC1	REAL300003091975	0	45	0.0	-51.53	370.74	3.07	-48.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC(C(F)(F)F)C2)CC1	REAL300003091976	0	49	0.0	-41.42	362.57	9.31	-32.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2CCCCC2)CC1	REAL300003091977	0	50	0.0	-54.67	363.64	9.05	-45.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COCCOC2=CC=CC=C2)CC1	REAL300003091978	0	51	0.0	-59.15	391.58	9.18	-49.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCOCC2CCCO2)CC1	REAL300003091979	0	51	0.0	-41.33	376.67	6.49	-34.84
COC1=CC=CC(COCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091980	0	51	0.0	-46.73	388.06	8.69	-38.04
COC1=CC=CC(COC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091981	0	54	0.0	-57.98	406.85	9.17	-48.81
CCOC1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003091982	0	53	0.0	-41.30	396.83	10.02	-31.28
CC(CC1CCCCC1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091983	0	55	0.0	-39.55	379.52	10.25	-29.30
CCC(CC1CCCCC1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091984	0	58	0.0	-39.04	401.51	10.97	-28.07
CCCC(CC1CCCCC1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091985	0	61	0.0	-39.78	416.89	11.45	-28.33
CC(CC1CCCC1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091986	0	52	0.0	-39.10	364.65	9.73	-29.37
CCC(CC1CCCC1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091987	0	55	0.0	-39.12	379.81	10.29	-28.83
CCCC(CC1CCCC1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091988	0	58	0.0	-39.92	400.79	10.87	-29.05
CC1=NN(C)C=C1CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091989	0	49	0.0	-44.16	368.44	8.10	-36.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC(F)=C3)CC2)CC1	REAL300003091990	0	47	0.0	-42.13	354.64	9.90	-32.23
CC1=CC=CC=C1C(C)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091991	0	52	0.0	-51.45	379.62	10.79	-40.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=COC(C3=CC=C(F)C=C3)=N2)CC1	REAL300003091992	0	49	0.0	-47.15	386.22	7.67	-39.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2CCOCC2)CC1	REAL300003091993	0	50	0.0	-53.83	360.50	7.62	-46.21
COC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(C)=C1	REAL300003091994	1	44	0.0	-38.40	339.02	7.85	-30.55
CC(C)C1=NOC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003091995	1	45	0.0	-37.27	338.14	7.46	-29.81
CC1=CC(OC(F)F)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003091996	1	44	0.0	-39.40	348.85	8.11	-31.29
CC1=C2NC=C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=CC=C1	REAL300003091997	0	50	0.0	-42.71	377.25	9.66	-33.05
CC(C)CCCCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091998	0	54	0.0	-51.24	392.22	10.44	-40.80
CCCCCC(C)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003091999	0	54	0.0	-50.73	388.12	10.38	-40.35
CC1=NC=C(Cl)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003092000	1	41	0.0	-36.01	323.08	7.28	-28.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2SCCC3=CC=CC=C32)CC1	REAL300003092001	1	48	0.0	-39.19	360.34	10.23	-28.96
CCCCC(CC)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092002	0	54	0.0	-50.66	380.61	10.06	-40.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNC(=O)N(C)C2=O)CC1	REAL300003092003	0	43	0.0	-45.58	332.55	4.57	-41.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC(C(F)(F)F)=CC=C3N2C)CC1	REAL300003092004	0	50	0.0	-38.90	385.73	10.46	-28.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3CCCO3)OC=N2)CC1	REAL300003092005	1	47	0.0	-38.15	349.48	4.98	-33.17
CC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=CC(F)=C1	REAL300003092006	0	47	0.0	-37.82	357.65	9.09	-28.73
CC1=CC=C2NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=C1C	REAL300003092007	0	50	0.0	-38.02	367.96	9.57	-28.45
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092008	0	56	0.0	-53.16	416.89	7.32	-45.84
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(C2=CN(C)N=C2)=N1	REAL300003092009	1	49	0.0	-41.87	384.31	7.14	-34.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(OC3=NC=CS3)=C2)CC1	REAL300003092010	0	47	0.0	-53.12	377.28	6.69	-46.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CSC(Br)=C2)CC1	REAL300003092011	0	41	0.0	-39.61	344.57	9.16	-30.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2OC2CCC2)CC1	REAL300003092012	0	51	0.0	-38.07	376.95	10.18	-27.89
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300003092013	0	49	0.0	-53.99	368.42	10.32	-43.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC2C2=C(F)C=CC=C2F)CC1	REAL300003092014	0	47	0.0	-39.80	355.76	10.24	-29.56
CC(CCC1=CC=CC=C1F)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092015	0	52	0.0	-54.56	388.94	10.87	-43.69
CCC1=NC(C)=NC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092016	0	47	0.0	-38.10	349.34	7.17	-30.93
CC(C)C1=CC=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=C1	REAL300003092017	0	53	0.0	-38.03	389.88	10.33	-27.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CN3CCCCC3=O)C=C2)CC1	REAL300003092018	0	57	0.0	-45.87	417.70	10.22	-35.65
CCCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1CC1=CC=CC=C1	REAL300003092019	0	59	0.0	-38.23	438.56	11.37	-26.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC3=CC=CC=C3NC2=O)CC1	REAL300003092020	0	49	0.0	-44.95	374.50	8.01	-36.94
CC(C)S(=O)(=O)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092021	1	45	0.0	-68.45	347.39	4.57	-63.88
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1C1=CC=CC(Cl)=C1	REAL300003092022	1	49	0.0	-37.85	384.96	9.16	-28.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC(F)=C3)CCCCC2)CC1	REAL300003092023	0	56	0.0	-41.24	390.29	11.12	-30.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3=CC=C(F)C=C3)C=CS2)CC1	REAL300003092024	1	47	0.0	-39.31	367.41	10.51	-28.80
COC1=CC(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCCC2)=CC=C1C	REAL300003092025	0	60	0.0	-51.60	422.11	10.98	-40.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CC(C)(C)CC3=O)NC2=O)CC1	REAL300003092026	0	55	0.0	-47.67	404.37	7.44	-40.23
CC1=CC=C(CCC(=O)NCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092027	0	56	0.0	-54.36	428.95	8.94	-45.42
CC(=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300003092028	0	47	0.0	-37.15	367.82	10.68	-26.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3C=CC=N3)C(F)=C2)CC1	REAL300003092029	0	47	0.0	-40.00	359.20	9.08	-30.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2CCCCC2C)CC1	REAL300003092030	0	53	0.0	-41.20	378.15	9.76	-31.44
CC1=NC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003092031	0	43	0.0	-40.81	340.19	7.43	-33.38
CC1=C(Cl)C=CC=C1OCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092032	0	47	0.0	-58.59	370.22	10.09	-48.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NN=CN2C2=CC=CC=C2)CC1	REAL300003092033	0	52	0.0	-42.63	396.91	12.00	-30.63
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC2=CC=C(F)C=C12	REAL300003092034	1	46	0.0	-34.95	355.84	10.00	-24.95
COC1=CC=C2SC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C(C)C2=C1	REAL300003092035	1	50	0.0	-35.80	378.96	9.22	-26.58
COC1=CC=C(Cl)C=C1NCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092036	0	52	0.0	-43.14	404.21	7.83	-35.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(C3=CC=C(F)C=C3)C2=O)CC1	REAL300003092037	0	51	0.0	-51.71	381.15	9.21	-42.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(C3=CC=C(Cl)C=C3)C2=O)CC1	REAL300003092038	0	51	0.0	-51.15	391.46	9.65	-41.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1	REAL300003092039	0	57	0.0	-50.15	425.86	6.59	-43.56
CC1=CC=CC(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2)=C1	REAL300003092040	0	50	0.0	-40.00	369.94	10.52	-29.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2)CC1	REAL300003092041	0	47	0.0	-37.32	364.24	9.79	-27.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=CC3=CC=C(Cl)C=C32)CC1	REAL300003092042	0	47	0.0	-44.20	374.02	10.88	-33.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OCC3CCCCC3)C=C2)CC1	REAL300003092043	0	60	0.0	-37.78	432.25	11.51	-26.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC([N+](=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300003092044	1	48	0.0	-62.13	389.19	6.09	-56.04
CC(C)OC1=CC=C(Cl)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092045	0	50	0.0	-39.82	381.61	10.25	-29.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(F)C=C3)CCCCC2)CC1	REAL300003092046	0	56	0.0	-34.66	389.67	11.08	-23.58
COC1=CC=C(N2C=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=N2)C=C1	REAL300003092047	0	51	0.0	-39.38	387.51	8.99	-30.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C2CC2)C2CC2)CC1	REAL300003092048	0	50	0.0	-37.71	363.44	10.28	-27.43
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC2=C(C)C=CC(C)=C12	REAL300003092049	1	52	0.0	-36.28	382.51	10.54	-25.74
CC1=C2OC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=CC=C1	REAL300003092050	1	46	0.0	-36.73	349.09	9.37	-27.36
CC1=C(C)C=C2C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=COC2=C1	REAL300003092051	0	52	0.0	-44.79	390.89	10.58	-34.21
COC1=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(Cl)=C1OC	REAL300003092052	0	52	0.0	-56.88	414.71	9.34	-47.54
CCC(C)C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003092053	0	55	0.0	-38.43	385.96	10.74	-27.69
CC1=CC=C2C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=COC2=C1C	REAL300003092054	0	52	0.0	-47.02	390.39	10.52	-36.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CCCCCC3)S2)CC1	REAL300003092055	1	53	0.0	-35.46	376.36	10.33	-25.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(S2)C2=CC=CC=C2CC3)CC1	REAL300003092056	1	51	0.0	-36.29	388.96	11.66	-24.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(S2)C2=CC=CC=C2OC3)CC1	REAL300003092057	1	49	0.0	-39.88	382.71	9.89	-29.99
CCCC1=C(CC)C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003092058	1	52	0.0	-34.72	390.08	10.48	-24.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CCC(C(C)(C)C)C3)S2)CC1	REAL300003092059	1	59	0.0	-37.38	420.49	11.55	-25.83
CC1=C(C)C2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC=C2N1	REAL300003092060	0	50	0.0	-38.05	370.46	9.07	-28.98
CCOC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003092061	0	55	0.0	-56.98	416.58	9.62	-47.36
CC1=NOC(C)=C1CSCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092062	1	49	0.0	-49.02	385.78	9.16	-39.86
CSCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC2=CC=CC=C21	REAL300003092063	1	50	0.0	-38.93	390.91	10.60	-28.33
CC1=CC=CC(CSCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092064	1	50	0.0	-44.12	389.91	11.05	-33.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NNC(=O)C3=CC=CC=C32)CC1	REAL300003092065	0	45	0.0	-38.80	339.89	6.35	-32.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300003092066	1	42	0.0	-44.06	324.67	9.48	-34.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(F)C=CC=C3S2)CC1	REAL300003092067	1	43	0.0	-37.12	340.23	9.33	-27.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=C(Cl)C=CC=C2Cl)CC1	REAL300003092068	0	44	0.0	-38.24	363.68	10.39	-27.85
CC(C)SC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092069	0	50	0.0	-38.38	376.65	10.33	-28.05
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C(C)C	REAL300003092070	0	53	0.0	-37.47	376.41	9.71	-27.76
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092071	0	54	0.0	-45.38	415.47	5.61	-39.77
CC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1Cl	REAL300003092072	0	47	0.0	-54.17	371.53	10.59	-43.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(C3=CC=CC=C3)O2)CC1	REAL300003092073	0	53	0.0	-54.03	408.83	11.71	-42.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Br)=CC=C2F)CC1	REAL300003092074	0	40	0.0	-38.41	327.94	8.67	-29.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(C3=CC=CC(F)=C3)=N2)CC1	REAL300003092075	0	49	0.0	-46.77	394.12	10.02	-36.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2SC(F)F)CC1	REAL300003092076	0	44	0.0	-39.38	348.15	9.19	-30.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=CC=C3)N=C2)CC1	REAL300003092077	1	46	0.0	-37.68	355.89	8.19	-29.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)OC2=CC=C(F)C=C2)CC1	REAL300003092078	0	50	0.0	-42.65	357.77	9.18	-33.47
COC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092079	0	44	0.0	-39.99	326.46	7.18	-32.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300003092080	0	53	0.0	-55.72	401.40	12.44	-43.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3OCOC3=C2)CC1	REAL300003092081	0	43	0.0	-39.34	325.09	6.62	-32.72
COC1=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(OC)=C1OC	REAL300003092082	0	55	0.0	-50.42	416.01	8.10	-42.32
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092083	0	55	0.0	-50.54	422.36	12.01	-38.53
CCCCCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092084	0	56	0.0	-37.16	413.36	10.50	-26.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)CC1	REAL300003092085	1	42	0.0	-42.46	343.64	9.13	-33.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300003092086	0	43	0.0	-45.28	355.91	9.95	-35.33
CC1=CC=C(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092087	0	46	0.0	-37.17	339.50	9.28	-27.89
CC1=CC(C)=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092088	0	46	0.0	-37.00	340.51	9.20	-27.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300003092089	0	50	0.0	-37.80	371.70	11.32	-26.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300003092090	0	53	0.0	-39.30	393.04	11.99	-27.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(Cl)C=C2)CC1	REAL300003092091	0	43	0.0	-55.08	343.91	9.54	-45.54
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(OC)=C1OC	REAL300003092092	0	52	0.0	-42.56	387.62	7.93	-34.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(F)C=C2)CC1	REAL300003092093	0	43	0.0	-56.00	333.59	9.09	-46.91
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300003092094	0	45	0.0	-41.24	341.70	9.08	-32.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2OC2=CC=CC=C2)CC1	REAL300003092095	0	51	0.0	-40.44	387.38	11.42	-29.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Br)=CC=C2Cl)CC1	REAL300003092096	0	40	0.0	-37.15	336.57	9.11	-28.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)OC2=CC=C(Cl)C=C2)CC1	REAL300003092097	0	50	0.0	-42.01	368.09	9.63	-32.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(Cl)C=C2Cl)CC1	REAL300003092098	0	43	0.0	-42.23	354.68	9.92	-32.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003092099	0	47	0.0	-55.71	374.80	10.48	-45.23
CC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003092100	0	46	0.0	-36.95	334.89	9.11	-27.84
COC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003092101	0	51	0.0	-47.54	382.75	8.18	-39.36
CSC1=CC=C(Cl)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092102	0	44	0.0	-37.59	355.04	9.44	-28.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=C(Cl)C=CC=C2Cl)CC1	REAL300003092103	0	43	0.0	-39.39	352.19	9.83	-29.56
CCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092104	0	46	0.0	-36.22	340.47	9.36	-26.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC(Cl)=C2)CC1	REAL300003092105	0	44	0.0	-54.28	352.84	10.00	-44.28
COC1=CC=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092106	0	48	0.0	-54.97	365.59	8.77	-46.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300003092107	0	46	0.0	-50.55	356.07	9.92	-40.63
COC1=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(OC)=C1OC	REAL300003092108	0	56	0.0	-46.56	424.74	8.62	-37.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC2=CC3=CC=CC=C3C=C2)CC1	REAL300003092109	1	50	0.0	-57.59	391.79	11.80	-45.79
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1	REAL300003092110	0	46	0.0	-37.22	339.12	9.27	-27.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC=C2F)CC1	REAL300003092111	0	43	0.0	-39.79	329.49	9.03	-30.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3F)CCCC2)CC1	REAL300003092112	0	53	0.0	-36.45	370.13	11.07	-25.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC(F)=C3)CCCC2)CC1	REAL300003092113	0	53	0.0	-37.59	376.49	11.24	-26.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300003092114	0	44	0.0	-37.86	343.08	7.69	-30.17
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CC=CC=C2Cl)=NO1	REAL300003092115	0	49	0.0	-41.97	389.89	10.52	-31.45
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1=CC=CC=C1	REAL300003092116	0	54	0.0	-37.17	405.35	11.96	-25.21
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1=CC=C(F)C=C1	REAL300003092117	0	54	0.0	-38.38	412.41	12.04	-26.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(SC2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300003092118	1	54	0.0	-55.23	415.90	12.62	-42.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC3=CC=CC=C3C=C2)CC1	REAL300003092119	0	50	0.0	-59.66	382.12	11.21	-48.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCSC2=CC=CC=C2)CC1	REAL300003092120	0	47	0.0	-53.00	367.37	10.29	-42.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN2C(=O)C2=CC=CS2)CC1	REAL300003092121	0	51	0.0	-52.37	386.48	8.22	-44.15
CCC1=CC=CC=C1OCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092122	0	50	0.0	-56.48	377.78	10.40	-46.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC=C2CC2=CC=CC=C2)CC1	REAL300003092123	0	57	0.0	-56.74	435.53	13.43	-43.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(COC3=CC=C(F)C=C3)O2)CC1	REAL300003092124	1	51	0.0	-39.83	399.12	9.78	-30.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2COC3=CC=CC=C3O2)CC1	REAL300003092126	0	46	0.0	-57.94	345.49	8.18	-49.76
CC1=CC(C)=NC2=NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=NN21	REAL300003092127	1	47	0.0	-44.06	360.99	10.15	-33.91
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1S(N)(=O)=O	REAL300003092128	0	48	0.0	-47.70	366.27	3.57	-44.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300003092129	0	51	0.0	-55.48	395.28	10.73	-44.75
CCC1=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300003092130	0	53	0.0	-39.97	406.42	11.53	-28.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(SC(F)(F)F)C=C2)CC1	REAL300003092131	0	44	0.0	-37.75	353.41	9.32	-28.43
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1C	REAL300003092132	0	47	0.0	-38.45	346.95	7.93	-30.52
COC1=CC(OC)=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092133	0	54	0.0	-53.76	407.58	8.44	-45.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=CC=C2F)CC1	REAL300003092134	0	40	0.0	-38.61	323.37	8.57	-30.04
CC1=NN(CC(C)C)C(C)=C1CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092135	0	61	0.0	-44.13	442.57	10.50	-33.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2COC3=CC=C(Cl)C=C3C2)CC1	REAL300003092136	0	48	0.0	-39.38	366.51	9.03	-30.35
CC1=NC(C2=CNC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)=CS1	REAL300003092137	0	47	0.0	-43.22	371.02	7.68	-35.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3)CCC2)CC1	REAL300003092138	0	50	0.0	-37.54	358.74	10.09	-27.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(C3=CC=CC=C3F)O2)CC1	REAL300003092139	0	53	0.0	-56.60	417.24	11.82	-44.78
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C(C2=CC=CC=C2)O1	REAL300003092140	1	49	0.0	-36.28	374.62	8.47	-27.81
CC(=O)C1=CC=C(C2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)O2)C=C1	REAL300003092141	1	52	0.0	-42.53	400.38	10.34	-32.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=NC4=CC=CC=C4S3)O2)CC1	REAL300003092142	1	49	0.0	-39.36	394.45	9.56	-29.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3SCCS3)C=C2)CC1	REAL300003092143	0	49	0.0	-54.96	388.93	10.95	-44.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC(C)(C)C)CC1	REAL300003092144	1	46	0.0	-53.90	346.56	8.50	-45.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(S(C)(=O)=O)C=C2)CC1	REAL300003092145	1	46	0.0	-46.61	358.22	5.45	-41.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CS(C)(=O)=O)C=C2)CC1	REAL300003092146	0	49	0.0	-46.04	382.61	6.13	-39.91
CCOC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OCC	REAL300003092147	0	58	0.0	-56.90	438.44	10.54	-46.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSCC2=CC=CC(Cl)=C2)CC1	REAL300003092148	1	47	0.0	-44.46	385.24	10.90	-33.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSCC2=CC=C(Cl)C=C2)CC1	REAL300003092149	1	47	0.0	-56.48	388.34	10.95	-45.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CSC3=CC=CC=C3)C=C2)CC1	REAL300003092150	0	54	0.0	-41.05	419.13	12.78	-28.27
CCOC1=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1OC	REAL300003092151	0	55	0.0	-57.01	416.58	9.62	-47.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NC3CC3)C([N+](=O)[O-])=C2)CC1	REAL300003092152	0	51	0.0	-44.02	387.72	9.27	-34.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CCC(C)C3)S2)CC1	REAL300003092153	1	50	0.0	-37.36	372.19	10.11	-27.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC(Br)=CC=C3O2)CC1	REAL300003092154	1	43	0.0	-36.56	348.88	9.34	-27.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CN3C=CC=N3)O2)CC1	REAL300003092155	1	47	0.0	-41.15	365.54	8.14	-33.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN(C3=NC=CC=N3)C2)CC1	REAL300003092156	0	53	0.0	-42.55	386.60	7.95	-34.60
CC(C)CC(=O)NC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C(C)C	REAL300003092157	0	58	0.0	-37.78	411.37	7.97	-29.81
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1=NC=CS1	REAL300003092158	0	50	0.0	-39.60	380.67	10.41	-29.19
CC(C)C1=CC=CC(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092159	0	53	0.0	-43.49	393.17	10.81	-32.68
CC(C)C1=CC(OC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1	REAL300003092160	0	56	0.0	-44.68	406.51	11.13	-33.55
CC1=CC=C(C(C)C)C(OC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092161	0	59	0.0	-56.59	429.01	11.86	-44.73
CC1=CC(OC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1C(C)C	REAL300003092162	0	59	0.0	-44.43	425.30	11.74	-32.69
CC(OC1=CC=CC(F)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092163	0	47	0.0	-47.51	352.71	9.29	-38.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)NC(=O)C2CCCC2)CC1	REAL300003092164	0	53	0.0	-40.57	385.86	6.95	-33.62
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092165	1	49	0.0	-57.75	395.06	10.76	-46.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CNC(N)=O)C=C2)CC1	REAL300003092166	0	49	0.0	-44.09	372.71	4.14	-39.95
CCCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OCCC	REAL300003092167	0	60	0.0	-40.83	444.43	10.61	-30.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CS2)CC1	REAL300003092168	0	43	0.0	-39.42	335.70	8.88	-30.54
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC2=C1C(=O)CCC2	REAL300003092169	0	50	0.0	-45.73	374.52	8.01	-37.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3CCCCC3)C=C2)CC1	REAL300003092170	0	56	0.0	-37.60	399.35	11.70	-25.90
CSC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092171	0	44	0.0	-38.61	337.23	8.88	-29.73
COC1=CC=C(C(C)=O)C=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092172	0	52	0.0	-45.33	394.84	8.85	-36.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C3CCCCC3=C2)CC1	REAL300003092173	0	53	0.0	-42.30	387.02	11.47	-30.83
CC1=CC=C(SCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003092174	0	53	0.0	-41.13	402.67	11.45	-29.68
COCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092175	0	47	0.0	-37.17	352.65	7.65	-29.52
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092176	0	59	0.0	-56.82	425.26	11.53	-45.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COCC2=CC=CC=C2)CC1	REAL300003092177	0	47	0.0	-56.89	361.65	9.43	-47.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC(F)=CC=C3S2)CC1	REAL300003092178	1	43	0.0	-35.93	340.24	9.34	-26.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(C3=CC=CC=C3F)O2)CC1	REAL300003092179	0	51	0.0	-52.66	406.23	11.54	-41.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=CC=C3F)O2)CC1	REAL300003092180	1	47	0.0	-38.87	369.12	10.20	-28.67
CC1=NC2=NC=NN2C(C)=C1CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092181	0	53	0.0	-51.65	396.45	11.69	-39.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)CC1	REAL300003092182	0	52	0.0	-62.00	409.32	5.74	-56.26
CCS(=O)(=O)NC(CCSC)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092183	0	54	0.0	-47.50	419.88	4.73	-42.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C3CC3)=N2)CC1	REAL300003092184	1	43	0.0	-34.92	335.40	8.04	-26.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(CS(N)(=O)=O)=C2)CC1	REAL300003092185	0	48	0.0	-50.91	375.09	3.54	-47.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=CC=C3)N2)CC1	REAL300003092186	0	48	0.0	-39.26	361.63	9.80	-29.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=CC=C3F)N=C2)CC1	REAL300003092187	0	47	0.0	-43.41	361.58	9.21	-34.20
CC(C)C1=NC=C(Cl)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003092188	1	47	0.0	-34.39	364.50	8.54	-25.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(F)C(NS(C)(=O)=O)=C2)CC1	REAL300003092189	0	48	0.0	-47.86	377.82	4.71	-43.15
CC(=O)C1=CC=CC(OCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092190	0	55	0.0	-63.42	419.04	9.81	-53.61
CC(=O)CCC1=CC=C(OC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092191	0	58	0.0	-61.18	436.68	11.33	-49.85
CC(=O)C1=CC=CC(OC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092192	0	52	0.0	-53.87	387.51	9.61	-44.26
COCCS(=O)(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092193	1	53	0.0	-45.40	413.37	5.44	-39.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=CC3=CC([N+](=O)[O-])=CC=C32)CC1	REAL300003092194	0	49	0.0	-51.30	385.25	11.08	-40.22
CC1=CC=C(C)N1C1=CC=C(C)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092195	0	57	0.0	-40.73	423.61	12.81	-27.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2COC3=CC=CC=C32)CC1	REAL300003092196	0	45	0.0	-45.30	333.79	7.77	-37.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC3=CC=CC=C23)CC1	REAL300003092197	0	43	0.0	-41.20	329.52	8.46	-32.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=CC=C3Cl)C=C2)CC1	REAL300003092198	0	47	0.0	-37.52	363.85	10.06	-27.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=CC=C3Cl)N=C2)CC1	REAL300003092199	0	47	0.0	-41.81	369.30	9.76	-32.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=CC=C3Cl)N=N2)CC1	REAL300003092200	1	46	0.0	-40.02	370.51	8.93	-31.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCNC(=O)C2=CC=CC=C2)CC1	REAL300003092201	0	53	0.0	-57.73	405.16	8.27	-49.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC(Cl)=C3OCCOC3=C2)CC1	REAL300003092202	0	50	0.0	-55.31	396.53	9.19	-46.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=C3OCCOC3=C2)CC1	REAL300003092203	0	46	0.0	-54.29	360.75	7.61	-46.68
CCC1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092204	0	52	0.0	-39.78	388.36	11.23	-28.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=CC=C3Cl)O2)CC1	REAL300003092205	1	47	0.0	-37.93	377.56	10.63	-27.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)C(C)(C)C)CC1	REAL300003092206	0	49	0.0	-53.42	364.57	5.71	-47.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=C3OCOC3=C2)CC1	REAL300003092207	0	43	0.0	-54.86	343.13	7.09	-47.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2C(=O)C2=CC=CS2)CC1	REAL300003092208	0	49	0.0	-48.04	392.48	10.52	-37.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=C(F)C=C3)S2)CC1	REAL300003092209	1	47	0.0	-37.14	371.20	10.59	-26.55
CCCCC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092210	0	55	0.0	-53.25	413.07	12.02	-41.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3C=NC=N3)C([N+](=O)[O-])=C2)CC1	REAL300003092211	0	48	0.0	-75.61	377.12	11.51	-64.10
CNS(=O)(=O)C1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092212	0	54	0.0	-47.09	422.08	5.96	-41.13
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(S(N)(=O)=O)=C1C	REAL300003092213	0	51	0.0	-62.74	386.88	4.15	-58.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC=C3C(=O)N2)CC1	REAL300003092214	0	46	0.0	-42.01	349.72	7.81	-34.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(S(C)=O)C=C2)CC1	REAL300003092215	0	45	0.0	-51.68	349.72	6.47	-45.21
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300003092216	1	46	0.0	-38.29	352.11	9.37	-28.92
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC2=C(F)C=CC=C12	REAL300003092217	1	46	0.0	-37.73	352.06	9.39	-28.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC1	REAL300003092218	1	48	0.0	-41.80	369.19	8.66	-33.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1	REAL300003092219	0	48	0.0	-57.44	375.95	5.52	-51.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CSC=C2)CC1	REAL300003092220	0	43	0.0	-51.29	338.56	8.76	-42.53
CC1=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1=CC=CC=C1	REAL300003092221	0	58	0.0	-40.51	437.76	13.35	-27.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCCC2=NC3=CC=CC=C3S2)CC1	REAL300003092222	0	54	0.0	-55.63	423.24	10.82	-44.81
COC1=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC2=C1OCCO2	REAL300003092223	0	54	0.0	-58.91	409.73	8.52	-50.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC(Cl)=C3OCOC3=C2)CC1	REAL300003092224	0	47	0.0	-55.84	378.88	8.66	-47.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1	REAL300003092225	0	54	0.0	-38.70	355.81	9.81	-28.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3NC(=O)COC3=C2)CC1	REAL300003092226	0	46	0.0	-42.79	348.23	5.16	-37.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC2=CC=C3CCCC3=C2)CC1	REAL300003092227	1	51	0.0	-56.21	391.27	11.44	-44.77
CC1=CC(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NO1	REAL300003092228	0	43	0.0	-42.22	333.02	5.81	-36.41
CC1=CC=C(SCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092229	0	50	0.0	-52.87	388.78	10.96	-41.91
CC(C)C(NC(=O)C1=CC=C(F)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092230	0	56	0.0	-40.11	406.35	8.72	-31.39
CCCCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092231	0	53	0.0	-37.17	391.86	9.72	-27.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCSC2=CC=CC=C2Cl)CC1	REAL300003092232	0	47	0.0	-41.19	379.28	10.70	-30.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003092233	0	47	0.0	-60.57	374.81	9.94	-50.63
CC1=CC=C(C)C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092234	0	50	0.0	-56.69	377.58	10.32	-46.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC=C2C2=CC=CC=C2)CC1	REAL300003092235	0	54	0.0	-58.50	414.79	12.64	-45.86
CC1=CC=C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003092236	0	50	0.0	-57.33	375.18	10.17	-47.16
CC1=CC=C(C(C)C)C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092237	0	56	0.0	-56.50	416.12	11.58	-44.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCSC2=CC=C(Cl)C=C2)CC1	REAL300003092238	0	47	0.0	-52.77	384.10	10.81	-41.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC=C2F)CC1	REAL300003092239	0	44	0.0	-61.47	342.33	9.00	-52.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C(Br)C=C2)CC1	REAL300003092240	0	44	0.0	-45.58	354.29	9.53	-36.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(S(=O)(=O)N(C)C)C=C2)CC1	REAL300003092241	0	51	0.0	-43.89	393.03	5.92	-37.97
CCC1=CC=C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092242	0	50	0.0	-44.93	375.89	10.35	-34.58
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1NC(=O)C1=CC=CO1	REAL300003092243	0	54	0.0	-46.83	410.60	8.72	-38.11
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092244	0	53	0.0	-43.69	410.60	10.41	-33.28
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1CC1	REAL300003092245	0	51	0.0	-37.10	370.46	10.01	-27.09
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC2=C1OCCO2	REAL300003092246	0	50	0.0	-57.76	373.95	6.93	-50.83
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1CC1=CC=CO1	REAL300003092247	0	54	0.0	-39.23	406.88	10.61	-28.62
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1CC1=CC=CC=C1	REAL300003092248	0	57	0.0	-37.88	419.46	12.25	-25.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C(=C2)CCN3S(C)(=O)=O)CC1	REAL300003092249	0	52	0.0	-43.56	395.78	6.63	-36.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=CC(=O)NC2=O)CC1	REAL300003092250	0	43	0.0	-50.77	332.92	4.79	-45.98
CC(NC(=O)C1=COC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092251	0	47	0.0	-56.21	363.00	5.35	-50.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2N(C)C(=O)C2CC2)CC1	REAL300003092252	0	54	0.0	-47.79	406.69	10.55	-37.24
CC(=O)NC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1C	REAL300003092253	0	50	0.0	-42.99	370.03	7.64	-35.35
CC(NS(=O)(=O)C1=CC=CS1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092254	0	48	0.0	-59.26	386.53	3.99	-55.27
CCCS(=O)(=O)N1CCCCC1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092255	0	57	0.0	-54.32	413.95	7.38	-46.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNS(=O)(=O)C2=CC=CS2)CC1	REAL300003092256	0	45	0.0	-45.80	370.10	3.64	-42.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN(C)S(C)(=O)=O)CC1	REAL300003092257	0	44	0.0	-64.62	344.91	3.44	-61.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNC(=O)C2=CC3=CC=CC=C3C=C2)CC1	REAL300003092259	0	56	0.0	-64.46	429.73	9.73	-54.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCNC(=O)C2CC2)CC1	REAL300003092260	0	50	0.0	-56.56	380.29	6.74	-49.82
COC1=CC=C(SC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092261	1	51	0.0	-54.26	396.35	9.38	-44.88
CC(SC1=CC=CC=C1Cl)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092262	1	47	0.0	-57.59	375.52	10.33	-47.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(C3=CC=CC=C3)N2)CC1	REAL300003092263	0	54	0.0	-41.85	408.29	11.10	-30.75
CC1=NC2=CC(F)=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2N=C1C	REAL300003092264	0	50	0.0	-40.86	379.77	7.80	-33.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(F)C(Br)=C2)CC1	REAL300003092265	0	43	0.0	-46.14	351.00	9.64	-36.50
CCSCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092266	0	50	0.0	-36.78	385.17	10.69	-26.09
COC1=CC=CC2=C1OCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)=C2	REAL300003092267	0	50	0.0	-40.51	379.21	8.47	-32.04
CC(C)NC(=O)NC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092268	0	55	0.0	-42.65	411.52	7.12	-35.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)CC(C)(C)C)CC1	REAL300003092269	0	52	0.0	-52.67	379.33	6.36	-46.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=CC3=CC=CC=C32)CC1	REAL300003092270	0	47	0.0	-45.53	357.14	10.41	-35.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOC2=CC=CC(F)=C2)CC1	REAL300003092271	0	50	0.0	-58.06	384.96	9.48	-48.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=C(C3=CC=CC=C3)C=CC2=O)CC1	REAL300003092272	0	52	0.0	-61.43	403.51	9.35	-52.08
COCCOC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092273	0	51	0.0	-40.08	384.96	7.94	-32.14
COCCOC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092274	0	51	0.0	-57.14	385.29	7.40	-49.74
CC1=CC=C(C)N1C1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C	REAL300003092275	0	54	0.0	-39.95	412.41	10.38	-29.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C3=CC=C(Cl)S3)=N2)CC1	REAL300003092276	1	43	0.0	-36.20	372.41	9.21	-26.99
CCCC(=O)N1CCCC1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092277	0	53	0.0	-41.41	386.71	8.20	-33.21
CCCC(=O)N1CCCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C1	REAL300003092278	0	56	0.0	-38.69	401.65	8.72	-29.97
CCCC(=O)N1CCCCC1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092279	0	56	0.0	-54.27	399.11	9.99	-44.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=C([N+](=O)[O-])C=CC2=O)CC1	REAL300003092280	0	45	0.0	-47.47	356.42	8.19	-39.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=C(C2CC2)C2CC2)CC1	REAL300003092281	0	48	0.0	-37.24	347.42	9.99	-27.25
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1C1=CC(C)=CC=C1	REAL300003092282	1	52	0.0	-36.99	389.64	9.32	-27.67
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300003092283	0	49	0.0	-40.94	365.32	10.28	-30.66
CC(=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300003092284	0	47	0.0	-39.92	359.27	10.32	-29.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC3=CC=CC=C3C=C2)CC1	REAL300003092285	0	52	0.0	-53.03	394.69	12.09	-40.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=CC(Cl)=C3)N=C2)CC1	REAL300003092286	0	47	0.0	-40.80	373.82	9.58	-31.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=CC(Cl)=C3)C=C2)CC1	REAL300003092287	0	47	0.0	-36.84	374.56	10.25	-26.59
CC(C)C1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC=C1	REAL300003092288	1	46	0.0	-36.88	353.81	9.11	-27.77
COC1=CC=CC=C1C1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003092289	1	50	0.0	-37.31	390.11	9.10	-28.21
CC1=CC(C)=NN1CC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092290	0	56	0.0	-55.77	427.25	10.67	-45.10
CC(OCC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092291	0	50	0.0	-44.37	374.55	9.85	-34.52
COC1=CC=C2CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)COC2=C1	REAL300003092292	0	52	0.0	-43.30	383.58	7.98	-35.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COCCC2=CC=CC=C2)CC1	REAL300003092293	0	50	0.0	-55.34	383.15	10.21	-45.13
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300003092294	0	54	0.0	-39.86	405.63	10.96	-28.90
COC1=CC=CC=C1C1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003092295	0	51	0.0	-40.25	374.63	9.52	-30.73
CC1=CC=CC=C1C1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003092296	0	50	0.0	-38.44	361.22	10.30	-28.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)CC1	REAL300003092297	0	57	0.0	-48.04	413.05	9.88	-38.16
CC(OC1=CC=CC(Br)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092298	0	47	0.0	-46.56	367.60	9.83	-36.73
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300003092299	0	60	0.0	-36.91	448.17	13.30	-23.61
CC1=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C(C2=CC=CO2)O1	REAL300003092300	0	49	0.0	-47.10	381.90	6.07	-41.03
COCC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092301	0	47	0.0	-39.95	352.04	7.60	-32.35
CC1=CC=C(C2=NC(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CS2)C=C1	REAL300003092302	0	52	0.0	-45.16	409.10	10.63	-34.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)C3=CC=CC=C23)CC1	REAL300003092303	0	47	0.0	-43.34	352.93	9.60	-33.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(OC(F)F)C=C2)CC1	REAL300003092304	0	47	0.0	-57.65	366.44	8.60	-49.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Cl)C3=C(SC=C3)S2)CC1	REAL300003092305	1	40	0.0	-37.01	342.87	8.95	-28.06
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC2=CC=CC(F)=C12	REAL300003092306	1	46	0.0	-39.12	353.48	9.85	-29.27
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1Br	REAL300003092307	0	44	0.0	-38.92	346.77	7.87	-31.05
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)S1	REAL300003092308	0	43	0.0	-36.80	332.43	8.45	-28.35
CON(C)S(=O)(=O)C1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092309	0	52	0.0	-46.26	404.10	5.85	-40.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=C(Cl)C3=CC=CC=C3S2)CC1	REAL300003092310	0	47	0.0	-40.85	384.81	11.39	-29.46
COCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC2=CC=CC(F)=C21	REAL300003092311	1	50	0.0	-40.50	387.18	8.91	-31.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=C3OCCCOC3=C2)CC1	REAL300003092312	0	49	0.0	-55.08	379.16	8.39	-46.69
CC1=CC(N2C(C)=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2C)=NO1	REAL300003092313	0	53	0.0	-39.64	400.28	10.89	-28.75
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(C2=CC=CC=C2)=N1	REAL300003092314	1	49	0.0	-41.03	385.32	9.62	-31.41
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(C2=CC=CS2)=N1	REAL300003092315	1	46	0.0	-38.71	371.53	8.45	-30.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C3=CC=CC(Cl)=C3)=N2)CC1	REAL300003092316	1	46	0.0	-36.07	380.22	10.12	-25.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C3=CC=CC=C3)=N2)CC1	REAL300003092317	1	46	0.0	-36.49	364.28	9.59	-26.90
COC1=CC=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1OC(F)F	REAL300003092318	0	52	0.0	-47.55	402.35	9.06	-38.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC2=CC=C(F)C(F)=C2)CC1	REAL300003092319	1	44	0.0	-60.24	358.39	9.65	-50.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2OCC(=O)N(C)C)CC1	REAL300003092320	0	54	0.0	-49.11	408.17	9.15	-39.96
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1CCCCC1	REAL300003092321	0	60	0.0	-37.60	419.92	11.63	-25.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(C3=CC=CS3)=N2)CC1	REAL300003092322	0	46	0.0	-45.66	379.32	8.97	-36.69
CCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003092323	1	43	0.0	-37.30	332.88	8.54	-28.76
COC1=CC=C(C)C=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092324	0	50	0.0	-42.97	373.88	8.97	-34.00
CC1=CC=C(C2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)SC=C2)C=C1	REAL300003092325	1	50	0.0	-38.87	382.38	11.11	-27.76
C#CCNS(=O)(=O)C1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092326	0	50	0.0	-46.20	400.36	5.38	-40.82
C#CCNS(=O)(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092327	0	50	0.0	-45.27	400.96	5.43	-39.84
CC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092328	0	46	0.0	-53.80	348.59	9.70	-44.10
COC1=CC=C(C)C=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092330	0	51	0.0	-42.68	382.70	9.49	-33.19
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092331	0	59	0.0	-56.30	429.26	11.86	-44.44
CC1=CC=C(Cl)C(OC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092332	0	50	0.0	-59.01	386.41	10.43	-48.58
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092333	0	47	0.0	-43.97	380.38	10.26	-33.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C(F)C(Cl)=C2)CC1	REAL300003092334	0	44	0.0	-60.89	358.68	9.51	-51.38
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092335	0	57	0.0	-58.35	423.95	12.66	-45.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC(Br)=C2)CC1	REAL300003092336	0	44	0.0	-54.25	357.41	10.10	-44.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCNC(=O)C2=CC=C(Cl)C=C2)CC1	REAL300003092337	0	53	0.0	-57.03	421.88	8.79	-48.24
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1=CC(C)=CC=C1	REAL300003092338	0	57	0.0	-37.97	426.97	12.66	-25.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CCCCC3)S2)CC1	REAL300003092339	1	50	0.0	-35.02	367.94	10.12	-24.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CNC3=CC=CC=C23)CC1	REAL300003092340	0	50	0.0	-42.70	377.38	9.85	-32.85
CC1=CC(C)=NC(SCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003092341	1	48	0.0	-44.38	378.30	8.27	-36.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC3=C2CCC(C)C3)CC1	REAL300003092342	0	50	0.0	-36.77	372.91	10.19	-26.58
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092343	0	53	0.0	-43.60	395.58	10.07	-33.53
CC1=CC=C(C(=O)NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)C)C=C1	REAL300003092344	0	59	0.0	-39.56	424.11	9.11	-30.45
CCOC1=CC=C(OCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092345	0	57	0.0	-57.23	429.90	9.63	-47.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2OCC2CC2)CC1	REAL300003092346	0	51	0.0	-38.36	381.93	10.40	-27.96
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC=C1	REAL300003092347	1	43	0.0	-37.42	326.25	8.23	-29.19
COC1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(OC)=C1OC	REAL300003092348	0	58	0.0	-44.68	437.69	8.98	-35.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOC2=CC=CC=C2F)CC1	REAL300003092349	0	50	0.0	-59.56	384.77	9.49	-50.07
CCN1C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC2=CC=CC=C21	REAL300003092350	0	50	0.0	-37.84	368.97	10.34	-27.50
CCOCCOC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092351	0	50	0.0	-44.18	370.23	6.98	-37.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(NC(=O)NC3CC3)=C2)CC1	REAL300003092352	0	53	0.0	-47.01	399.37	7.11	-39.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)NC2CCCCC2)CC1	REAL300003092353	0	55	0.0	-54.38	404.44	5.88	-48.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN2CC2=CC=CS2)CC1	REAL300003092354	0	48	0.0	-36.58	372.58	10.41	-26.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)NCC2=CC=CO2)CC1	REAL300003092355	0	49	0.0	-55.55	382.84	4.29	-51.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=C3C=CC=CC3=NN2)CC1	REAL300003092356	0	46	0.0	-49.91	350.87	7.56	-42.35
CC1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003092357	0	46	0.0	-52.76	351.24	8.77	-43.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(OC(F)(F)F)C=CC=C3N2)CC1	REAL300003092358	0	48	0.0	-39.85	376.33	8.20	-31.65
CCCCSC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092359	1	49	0.0	-40.19	367.46	9.32	-30.87
CC1=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1C1=CC=CC=C1	REAL300003092360	0	52	0.0	-51.95	394.03	9.17	-42.78
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1C1=CC=CC=C1	REAL300003092361	1	49	0.0	-36.94	369.67	8.73	-28.21
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1C1=CC=C(C)C=C1	REAL300003092362	1	52	0.0	-36.73	391.46	9.36	-27.37
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1Br	REAL300003092363	0	49	0.0	-52.70	379.70	10.78	-41.92
CC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003092364	0	43	0.0	-41.78	336.26	8.86	-32.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCCN2C(=O)C2=CC=CO2)CC1	REAL300003092365	0	54	0.0	-56.93	393.58	9.54	-47.39
CC1=CC=C(CN2C(=O)CCC2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092366	0	57	0.0	-52.26	426.84	10.79	-41.47
CC(CCC1=CC=CC(F)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092367	0	52	0.0	-54.24	391.39	10.97	-43.27
CC1=CC2=C(C=C1C)OC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C2	REAL300003092368	0	51	0.0	-58.57	376.03	10.22	-48.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)C2=CC=C(Br)S2)CC1	REAL300003092369	0	43	0.0	-40.74	351.40	9.25	-31.49
CCCOC1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092370	0	56	0.0	-41.04	418.33	10.82	-30.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2CCC(C)O2)CC1	REAL300003092371	0	50	0.0	-37.33	363.25	7.91	-29.42
CC(=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300003092372	0	50	0.0	-51.79	394.42	11.27	-40.52
CCC(CC)(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003092373	0	55	0.0	-40.87	375.63	10.35	-30.52
CCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300003092374	0	48	0.0	-44.91	358.79	9.72	-35.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2CCCC2)CC1	REAL300003092375	0	52	0.0	-51.34	374.76	10.21	-41.13
CC(CCOC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092376	0	53	0.0	-44.23	389.40	9.63	-34.60
CC1=CC(F)=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300003092377	1	45	0.0	-42.32	355.96	9.67	-32.65
CCC(OC1=CC=CC=C1F)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092378	0	50	0.0	-63.76	369.94	9.84	-53.92
CC1=C(C)C=C2OC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=C1	REAL300003092379	1	49	0.0	-36.62	365.94	9.91	-26.71
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(C2CCCC2)=N1	REAL300003092380	1	52	0.0	-39.06	393.32	9.28	-29.78
COC1=CC=C(C2=NC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)S2)C=C1	REAL300003092381	1	50	0.0	-41.45	392.14	8.07	-33.38
CCOC1=C(F)C=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092382	0	47	0.0	-42.20	357.80	9.33	-32.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)N2N=NC(C3=CC=CC=C3)=N2)CC1	REAL300003092383	0	51	0.0	-47.50	390.60	8.36	-39.14
CCCOC1=CC=C(Cl)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092384	0	50	0.0	-38.83	385.95	10.40	-28.43
CCC1=CC=C(C2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)O2)C=C1	REAL300003092385	1	53	0.0	-37.52	403.60	11.51	-26.01
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(=O)N1	REAL300003092386	0	53	0.0	-43.35	407.73	9.14	-34.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=CC=C2OC(F)F)CC1	REAL300003092387	0	44	0.0	-39.86	352.36	8.96	-30.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN(C)C2=CC=CC=C2[N+](=O)[O-])CC1	REAL300003092388	0	50	0.0	-61.45	382.90	9.76	-51.69
CC(C)C1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C	REAL300003092389	0	49	0.0	-37.77	361.35	8.04	-29.73
CC(C)CC(C)OCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092390	0	55	0.0	-50.95	402.44	8.94	-42.01
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300003092391	0	46	0.0	-42.93	368.76	10.26	-32.67
CC1=CC=C(N2N=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C3=C2CCC3)C=C1	REAL300003092392	0	57	0.0	-37.47	426.07	12.22	-25.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(C(C)(C)C)C=C3)CC2)CC1	REAL300003092393	0	59	0.0	-38.24	424.43	12.15	-26.09
CC1=CC(C)=CC(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCC2)=C1	REAL300003092394	0	56	0.0	-35.87	401.26	11.43	-24.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3=CC=CC=C3)OC=N2)CC1	REAL300003092395	0	46	0.0	-40.06	359.31	6.55	-33.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=CC3=CC=CC=C3C2=O)CC1	REAL300003092396	0	48	0.0	-46.45	370.94	7.95	-38.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC(Cl)=C3)CCCC2)CC1	REAL300003092397	0	53	0.0	-37.11	386.81	11.69	-25.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC(Cl)=C3)CC2)CC1	REAL300003092398	0	47	0.0	-40.95	364.97	10.34	-30.61
CCN1C(=O)NC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC=C2C1=O	REAL300003092399	0	52	0.0	-43.77	393.69	7.40	-36.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=C(Br)C=CC2=O)CC1	REAL300003092400	0	43	0.0	-49.78	349.50	8.14	-41.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC(Br)=C3)CC2)CC1	REAL300003092401	0	47	0.0	-40.90	369.53	10.44	-30.46
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C(C2=CC=CS2)O1	REAL300003092402	1	46	0.0	-36.14	365.63	7.38	-28.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)(F)F)N(C(C)(C)C)N=C2)CC1	REAL300003092403	1	52	0.0	-39.87	379.19	8.10	-31.77
CC1=NN(C(C)(C)C)C(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092404	0	55	0.0	-42.23	399.99	8.75	-33.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3CCOCC3)C=C2)CC1	REAL300003092405	0	55	0.0	-39.59	398.77	8.25	-31.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1	REAL300003092406	1	57	0.0	-66.12	419.61	5.64	-60.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1	REAL300003092407	0	63	0.0	-46.89	448.18	9.39	-37.50
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092408	0	59	0.0	-42.01	436.88	9.42	-32.59
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C2NN=CC2=C1	REAL300003092409	0	46	0.0	-39.07	347.64	7.30	-31.77
CC1=CC2=CNN=C2C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092409	1	46	0.0	-48.76	345.12	7.29	-41.47
CC1=NOC(C)=C1C(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092410	0	48	0.0	-42.69	346.38	7.91	-34.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C(C)(C)C)=N2)CC1	REAL300003092411	1	48	0.0	-35.94	366.22	8.33	-27.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(N3C=CC=N3)=C2)CC1	REAL300003092412	0	47	0.0	-46.26	355.92	9.07	-37.19
CCCNC(=O)NC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092413	0	58	0.0	-61.43	441.33	8.17	-53.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)CCC2CCCC2)CC1	REAL300003092414	0	56	0.0	-53.55	411.84	7.86	-45.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CCCC3=CC=CC=C32)CC1	REAL300003092415	0	53	0.0	-40.68	367.43	10.32	-30.36
CC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1=CC=C(F)C=C1	REAL300003092416	1	49	0.0	-41.56	377.79	10.32	-31.24
CCCS(=O)(=O)N1CCCC1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092417	0	54	0.0	-45.94	402.71	5.78	-40.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3=CC=CC=C3)C=CO2)CC1	REAL300003092418	0	47	0.0	-37.99	356.13	9.87	-28.12
COCCN1N=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CC1=O	REAL300003092419	0	49	0.0	-38.74	372.97	5.64	-33.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2SCC(N)=O)CC1	REAL300003092420	0	48	0.0	-46.16	376.02	5.86	-40.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300003092421	1	46	0.0	-35.28	380.31	10.14	-25.14
CC1=NC(CSCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003092422	1	46	0.0	-45.50	375.09	8.07	-37.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=NC3=CC=CC=C3C2=O)CC1	REAL300003092423	0	47	0.0	-49.44	366.04	6.52	-42.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300003092424	0	53	0.0	-56.20	407.41	11.02	-45.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCSC2=CC=CC=C2F)CC1	REAL300003092425	0	47	0.0	-41.92	370.04	10.29	-31.63
CC1=C(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)O1	REAL300003092426	0	46	0.0	-39.95	349.84	8.46	-31.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC(Cl)=CC=C3OC2)CC1	REAL300003092427	0	46	0.0	-39.51	366.68	9.11	-30.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(C3CC3C)O2)CC1	REAL300003092428	0	51	0.0	-53.79	388.41	10.62	-43.17
CC1=C2C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CNC2=CC=C1	REAL300003092429	0	50	0.0	-43.29	369.91	9.41	-33.88
COC(C)(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003092430	0	50	0.0	-49.51	359.23	8.41	-41.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC(=O)N(C)C)CC1	REAL300003092431	0	49	0.0	-50.26	363.57	7.06	-43.20
CCCN(CCC)C(=O)CCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092432	0	61	0.0	-49.07	447.69	10.49	-38.58
CCCN(CCC)C(=O)CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092433	0	58	0.0	-39.23	426.19	9.71	-29.52
CCNC(=O)CCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092434	0	49	0.0	-49.57	366.63	5.94	-43.63
CCCNC(=O)CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092435	0	49	0.0	-39.89	366.63	5.92	-33.97
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(C2=NNC=N2)=N1	REAL300003092436	1	45	0.0	-45.46	360.26	6.61	-38.85
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1C1=CC=CC=C1Cl	REAL300003092437	1	49	0.0	-39.90	385.02	9.34	-30.56
CCCNC(=O)CCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092438	0	52	0.0	-49.48	388.13	6.70	-42.78
CC(C)NC(=O)CCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092439	0	52	0.0	-49.41	387.26	6.74	-42.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=CC=C3)C(C(N)=O)=C2)CC1	REAL300003092440	1	51	0.0	-41.37	390.05	6.66	-34.71
COC1=CC=CC=C1C(C)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092441	0	53	0.0	-53.35	389.92	9.64	-43.71
COC1=CC([N+](=O)[O-])=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1SC	REAL300003092442	1	50	0.0	-42.14	393.20	9.82	-32.32
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092443	0	49	0.0	-37.64	390.21	10.93	-26.71
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092444	1	54	0.0	-38.95	410.29	10.12	-28.83
CC1=CC=C(C(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092445	0	49	0.0	-54.89	361.44	10.00	-44.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C2=CC=CC=C2)C(F)(F)F)CC1	REAL300003092446	0	49	0.0	-52.04	376.93	10.41	-41.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=C(F)C=C2)CC1	REAL300003092447	0	49	0.0	-51.50	351.85	9.60	-41.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2CC3=CC=CC=C3C2=O)CC1	REAL300003092448	0	48	0.0	-53.42	367.90	8.72	-44.70
CC1=CC=C(C(C)(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092449	0	52	0.0	-48.67	366.87	10.20	-38.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C(=O)NC3CC3)CCC2)CC1	REAL300003092450	0	51	0.0	-35.12	374.64	6.66	-28.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2OCCC3=C2SC=C3)CC1	REAL300003092451	0	48	0.0	-39.99	365.71	9.03	-30.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2OCCC3=CC=CC=C32)CC1	REAL300003092452	0	51	0.0	-43.26	372.44	9.88	-33.38
CC(SC1=CC=C(Cl)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092453	1	47	0.0	-53.38	383.60	10.61	-42.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC2=CC=C(F)C=C2)CC1	REAL300003092454	1	44	0.0	-44.64	349.00	9.56	-35.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC3=C2CCCC3)CC1	REAL300003092455	0	47	0.0	-37.31	354.16	9.61	-27.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC=CS2)CC1	REAL300003092456	0	46	0.0	-42.95	357.20	9.66	-33.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(Br)C=C2)CC1	REAL300003092457	0	44	0.0	-40.14	354.20	10.08	-30.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCSC2=CC=C(F)C=C2)CC1	REAL300003092458	0	47	0.0	-53.43	373.77	10.36	-43.07
CCC1=C(C)C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003092459	1	46	0.0	-35.03	348.82	9.01	-26.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC2=CC=CC=C2Cl)CC1	REAL300003092460	1	44	0.0	-57.91	360.72	9.98	-47.93
CC1=CC=C(SCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092461	1	47	0.0	-43.55	364.01	10.17	-33.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300003092462	0	47	0.0	-42.36	371.64	10.46	-31.90
CSCCC(NC(=O)C1=CC=CO1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092463	0	54	0.0	-54.95	423.03	7.26	-47.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNC(=O)CC2=CC=CC=C2)CC1	REAL300003092464	0	53	0.0	-64.05	408.27	8.15	-55.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2SCCC3=C2C=CS3)CC1	REAL300003092465	1	45	0.0	-37.84	352.57	9.40	-28.44
CC(C)OCCS(=O)(=O)NCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092466	0	54	0.0	-62.27	420.93	3.15	-59.12
CCC1=CC=C(C(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092467	0	52	0.0	-53.04	382.83	10.74	-42.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3NC(C(F)F)=NC3=C2)CC1	REAL300003092468	0	46	0.0	-40.69	359.91	7.60	-33.09
CC(C)C1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003092469	1	45	0.0	-35.75	346.55	7.77	-27.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(C(C)(C)C)=N2)CC1	REAL300003092470	0	51	0.0	-42.39	390.78	8.48	-33.91
CC(=O)N(CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300003092471	0	56	0.0	-58.52	423.47	10.33	-48.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C3=CC=CC=C3CCCC2=O)CC1	REAL300003092472	0	54	0.0	-56.98	397.87	10.23	-46.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=CC(Br)=C2)CC1	REAL300003092473	0	49	0.0	-34.24	361.38	10.04	-24.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(C)(C)C3=CC=CC=C32)CC1	REAL300003092474	0	56	0.0	-40.71	393.83	11.28	-29.43
COC1=CC=CC=C1C1CC1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092475	0	51	0.0	-40.23	371.82	9.55	-30.68
CCN(CC)C(=O)CCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092476	0	55	0.0	-49.55	404.70	8.97	-40.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)N2C=C([N+](=O)[O-])C=N2)CC1	REAL300003092477	0	48	0.0	-50.58	359.90	7.81	-42.77
CC1=NN(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300003092478	0	51	0.0	-57.34	402.89	8.82	-48.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=CC=C3)C(C3CC3)=N2)CC1	REAL300003092479	1	53	0.0	-40.45	403.39	11.48	-28.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCCC2C(=O)N2CCCC2)CC1	REAL300003092480	0	60	0.0	-48.96	408.91	10.36	-38.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCOC3=CC=CC=C32)CC1	REAL300003092481	0	48	0.0	-55.74	353.88	8.56	-47.18
CCC(CC)(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300003092482	0	55	0.0	-53.42	396.12	10.82	-42.60
CC1=CC=CC(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCCC2)=C1	REAL300003092483	0	56	0.0	-37.03	391.49	11.84	-25.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC=C2OC(F)(F)F)CC1	REAL300003092484	0	50	0.0	-41.70	390.28	9.64	-32.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300003092485	0	50	0.0	-41.18	391.48	9.59	-31.59
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1F	REAL300003092486	0	49	0.0	-54.28	367.05	10.29	-43.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CN(C)C3=CC=C2)CC1	REAL300003092487	0	47	0.0	-41.23	350.85	9.64	-31.59
COC1=CC=CC=C1C(C)=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092488	0	51	0.0	-38.97	381.75	9.59	-29.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3=CC=CO3)S2)CC1	REAL300003092489	1	43	0.0	-37.79	344.91	6.90	-30.89
CCN(C)C(=O)C1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092490	0	53	0.0	-45.56	390.88	8.73	-36.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CN3C=CC=C3)C=C2)CC1	REAL300003092491	0	51	0.0	-42.67	385.89	11.42	-31.25
CC1=C(C2=CC=CC=C2)OC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003092492	0	55	0.0	-43.01	421.73	8.84	-34.17
CC1=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(=O)N2N=CC=C2N1	REAL300003092493	0	49	0.0	-64.35	372.52	7.20	-57.15
CC(C)OC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092494	0	50	0.0	-39.98	367.72	9.53	-30.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=COC(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300003092495	0	49	0.0	-46.86	396.53	8.12	-38.74
CNC(=O)C1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCC1	REAL300003092496	0	47	0.0	-38.09	341.88	4.92	-33.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(OC(F)F)C=CS2)CC1	REAL300003092497	1	41	0.0	-41.38	327.64	7.25	-34.13
CC(=O)C1=CSC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092498	1	42	0.0	-47.48	332.79	7.44	-40.04
COC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC=C1	REAL300003092499	1	41	0.0	-37.53	316.69	7.00	-30.53
CC1=CC=C(C2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C(F)=C2)C=C1C	REAL300003092500	0	56	0.0	-40.09	418.31	12.60	-27.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=C(F)C=C3)C=C2F)CC1	REAL300003092501	0	50	0.0	-41.49	386.34	11.47	-30.02
CC1=CC=C(C2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C(F)=C2)C=C1	REAL300003092502	0	53	0.0	-39.97	401.33	12.09	-27.88
CC(OC1=CC=C(Br)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092503	0	47	0.0	-57.49	370.38	9.83	-47.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC(Cl)=C2)CC1	REAL300003092504	0	43	0.0	-43.74	340.83	9.49	-34.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=C(Cl)C=C2)CC1	REAL300003092505	0	49	0.0	-50.77	362.17	10.04	-40.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC=CC=C2)CC1	REAL300003092506	0	49	0.0	-53.90	370.07	10.61	-43.29
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1Cl	REAL300003092507	0	43	0.0	-38.24	332.97	8.98	-29.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Br)C=CS2)CC1	REAL300003092508	1	37	0.0	-39.62	305.67	7.44	-32.18
COC1=CC=C(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCCC2)C=C1	REAL300003092509	0	57	0.0	-39.37	399.59	10.44	-28.93
COC1=CC=C(CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092510	0	53	0.0	-55.74	399.58	9.91	-45.83
CC1=CC=C(C)C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092511	0	49	0.0	-41.00	362.16	10.15	-30.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C(C)(C)C)=NN2C)CC1	REAL300003092512	0	52	0.0	-38.15	377.80	8.16	-29.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CC=C3Cl)=NN2)CC1	REAL300003092513	0	47	0.0	-40.87	369.65	9.01	-31.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC([N+](=O)[O-])=C3N2)CC1	REAL300003092514	0	46	0.0	-42.20	356.18	9.16	-33.04
CC(C)C1=NNC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092515	0	46	0.0	-37.64	340.34	6.66	-30.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=C(F)C=C3)=NN2)CC1	REAL300003092516	0	47	0.0	-40.63	363.88	8.44	-32.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CNC3=CC=C2)CC1	REAL300003092517	0	44	0.0	-41.07	328.42	7.91	-33.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300003092518	0	47	0.0	-55.70	373.18	8.82	-46.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300003092519	0	46	0.0	-66.76	364.31	9.61	-57.15
CC(OC1=CC=CC=C1Cl)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092520	0	47	0.0	-59.40	365.19	9.74	-49.66
CC1=CC(Br)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092521	0	43	0.0	-37.50	339.01	9.22	-28.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3CC3)=NN2)CC1	REAL300003092522	0	44	0.0	-38.41	330.14	6.88	-31.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2SC(F)(F)F)CC1	REAL300003092523	0	44	0.0	-38.46	354.33	9.35	-29.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CC(Cl)=C3)=NN2)CC1	REAL300003092524	0	47	0.0	-38.68	374.58	8.86	-29.82
CC1=CC(F)=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092525	0	43	0.0	-50.60	328.14	8.63	-41.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Br)C=C2Cl)CC1	REAL300003092526	0	40	0.0	-38.32	336.75	9.08	-29.24
CCN1N=C(C)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092527	0	46	0.0	-40.20	340.08	7.16	-33.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC3=C2CCCC3)CC1	REAL300003092528	1	46	0.0	-35.77	336.54	8.46	-27.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(F)=CC(Br)=C2)CC1	REAL300003092529	0	40	0.0	-52.01	328.04	8.58	-43.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300003092530	0	47	0.0	-46.65	371.73	9.91	-36.74
CC1=CC=CC=C1CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092531	0	49	0.0	-39.71	360.85	10.27	-29.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(C(=O)C3=CC=CC=C3)CC2)CC1	REAL300003092532	0	57	0.0	-48.04	412.86	9.92	-38.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(F)=C2Cl)CC1	REAL300003092533	0	40	0.0	-42.49	316.69	8.40	-34.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC(OC(F)F)=C2)CC1	REAL300003092534	0	47	0.0	-44.92	363.55	8.54	-36.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CNC3=CC=C(F)C=C23)CC1	REAL300003092535	0	47	0.0	-42.86	362.37	9.12	-33.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2N2C=CC=N2)CC1	REAL300003092536	0	47	0.0	-40.61	354.04	9.57	-31.04
COC1=CC=C(Cl)C=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092537	0	48	0.0	-41.29	378.02	9.35	-31.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC=C2OC(F)F)CC1	REAL300003092538	0	47	0.0	-43.74	362.10	8.63	-35.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC=C2Br)CC1	REAL300003092539	0	46	0.0	-40.49	362.70	10.27	-30.22
CC1=CC=C(F)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092540	0	43	0.0	-39.38	328.06	8.73	-30.65
CC(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092541	0	45	0.0	-43.57	337.82	8.27	-35.30
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CC=C(F)C=C2)=NO1	REAL300003092542	0	49	0.0	-37.45	386.29	10.00	-27.45
CCOC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092543	0	47	0.0	-39.95	348.32	8.11	-31.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC=C2Br)CC1	REAL300003092544	0	43	0.0	-38.56	342.24	9.50	-29.06
CC1=C(Br)C=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092545	0	43	0.0	-37.19	335.24	9.10	-28.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CNC3=CC(F)=CC=C23)CC1	REAL300003092546	0	47	0.0	-59.59	365.56	9.11	-50.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(Cl)C=C2Cl)CC1	REAL300003092547	0	46	0.0	-41.08	375.97	10.71	-30.37
CCCCC1CCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003092548	0	58	0.0	-39.30	396.91	10.92	-28.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC2=CC=CC=C2)CC1	REAL300003092549	1	44	0.0	-55.84	345.70	9.53	-46.31
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092550	0	56	0.0	-54.01	431.74	10.84	-43.17
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300003092551	0	45	0.0	-43.88	342.84	9.12	-34.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNC(=O)C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300003092552	0	52	0.0	-66.72	411.83	8.14	-58.58
COC1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092553	0	50	0.0	-41.83	374.98	9.09	-32.74
CC1=CC=CC(OC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092554	0	50	0.0	-44.84	367.71	9.88	-34.96
CC1=C(C(C)C)C=C2C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=COC2=C1	REAL300003092555	0	58	0.0	-44.47	429.34	11.82	-32.65
CC1=CC=C2C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=COC2=C1	REAL300003092556	0	49	0.0	-46.74	373.45	9.99	-36.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=COC3=C2C2=C(C=CC=C2)C=C3)CC1	REAL300003092557	0	52	0.0	-46.33	393.30	11.46	-34.87
CCCCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OCC	REAL300003092558	0	60	0.0	-41.08	444.43	10.59	-30.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=NC3=CC=CC=C3S2)CC1	REAL300003092559	0	46	0.0	-53.13	371.04	9.18	-43.95
CC1=CC=CC(C)=C1OCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092560	0	50	0.0	-54.78	377.90	10.40	-44.38
COC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1OC(F)F	REAL300003092561	0	48	0.0	-41.14	367.49	8.33	-32.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNC(=O)C2=CC=CO2)CC1	REAL300003092562	0	47	0.0	-61.61	367.89	5.48	-56.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32)CC1	REAL300003092563	0	56	0.0	-57.15	428.82	9.59	-47.56
CC(NS(=O)(=O)C1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092564	0	51	0.0	-46.36	392.02	4.97	-41.39
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092565	0	57	0.0	-43.03	430.36	11.63	-31.40
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092566	0	53	0.0	-40.84	404.06	10.33	-30.51
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092567	1	50	0.0	-38.48	399.43	10.22	-28.26
CCCOC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003092568	0	58	0.0	-56.78	438.08	10.42	-46.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC(Br)=C2)CC1	REAL300003092569	0	46	0.0	-52.06	369.87	10.44	-41.62
COC1=CC=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=C1	REAL300003092570	0	48	0.0	-39.37	359.24	7.70	-31.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300003092571	0	49	0.0	-44.46	398.89	11.54	-32.92
CC1=CC=CC(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCCCC2)=C1	REAL300003092572	0	59	0.0	-34.35	405.38	11.67	-22.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=C(Br)C=C2)CC1	REAL300003092573	0	49	0.0	-50.69	366.76	10.15	-40.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNC=C2C2=CC=CC=C2)CC1	REAL300003092574	0	48	0.0	-46.52	367.41	9.56	-36.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(N3C=CC=N3)C=C2)CC1	REAL300003092575	0	50	0.0	-47.84	382.44	10.19	-37.65
CC1=CC(C)=NN1C1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092576	0	56	0.0	-49.33	423.22	11.18	-38.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=C([N+](=O)[O-])C=C3)C=C2)CC1	REAL300003092577	0	49	0.0	-42.96	385.87	10.37	-32.59
CC1=CC=C(C2=NNC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)O1	REAL300003092578	0	47	0.0	-40.47	362.86	7.31	-33.16
CC1=CC(C)=NN1C(C)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092579	0	52	0.0	-39.21	384.67	8.67	-30.54
CCOC1=CC=CC=C1C1=NNC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092580	0	54	0.0	-40.45	406.85	8.85	-31.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C(C)(C)C)C(C3CC3)=C2)CC1	REAL300003092581	0	56	0.0	-37.28	404.51	10.03	-27.25
CC1=CC(C)=CC(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2)=C1	REAL300003092582	0	53	0.0	-39.44	391.13	11.14	-28.30
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C(C)(C)C	REAL300003092583	0	52	0.0	-37.48	373.42	8.54	-28.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Cl)N=CS2)CC1	REAL300003092584	1	36	0.0	-39.80	296.21	5.48	-34.32
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C(C)(C)C	REAL300003092585	0	55	0.0	-39.09	389.55	8.52	-30.57
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC(Br)=C1	REAL300003092586	1	40	0.0	-35.45	320.93	7.74	-27.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3NC(=O)C4=CC=CC=C4N3N=C2)CC1	REAL300003092587	1	49	0.0	-43.49	380.69	7.80	-35.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC(C3=NC=CC=N3)=NO2)CC1	REAL300003092588	0	49	0.0	-49.64	387.08	5.68	-43.96
COC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(C2=CC=CC=C2)=C1	REAL300003092589	1	51	0.0	-37.95	394.63	10.77	-27.18
CCN1C=C(Br)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092590	0	44	0.0	-36.78	344.38	8.92	-27.86
CC(C)N1C=C(Br)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092591	0	47	0.0	-36.64	363.40	9.48	-27.16
CCC1=NC=NC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092592	1	44	0.0	-39.08	329.21	7.25	-31.83
CC1=NN(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1Cl	REAL300003092593	0	46	0.0	-47.50	363.87	7.86	-39.64
CC(CC(=O)[O-])N1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300003092594	1	58	0.0	-75.47	420.57	10.04	-65.43
CCCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC(C)=C1C(C)=O	REAL300003092595	0	55	0.0	-44.58	420.18	9.07	-35.51
CC1=NN2C=CC=NC2=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092596	0	45	0.0	-46.28	348.12	7.68	-38.60
CCCS(=O)(=O)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092597	1	45	0.0	-55.26	348.53	4.71	-50.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(NC(=O)C3=CC=CO3)=C2)CC1	REAL300003092598	0	51	0.0	-46.24	392.77	7.90	-38.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OCC3CC3)C=C2)CC1	REAL300003092599	0	51	0.0	-37.92	380.69	9.69	-28.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300003092600	0	47	0.0	-63.93	362.66	8.13	-55.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCOCC2=CC=CC=C2)CC1	REAL300003092601	0	50	0.0	-52.47	382.60	9.12	-43.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C(Cl)C=C2Cl)CC1	REAL300003092602	0	44	0.0	-59.98	368.86	9.98	-50.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300003092603	0	42	0.0	-45.55	325.17	8.55	-37.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2Br)CC1	REAL300003092604	0	40	0.0	-38.05	319.28	8.56	-29.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC3=CC=CC=C32)CC1	REAL300003092605	0	49	0.0	-42.77	366.80	11.09	-31.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)C2=CC=CC=C2)CC1	REAL300003092606	0	47	0.0	-55.01	361.53	6.78	-48.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Br)C=C2)CC1	REAL300003092607	0	40	0.0	-38.56	318.82	8.49	-30.07
CC1=CC=C(C)C(SCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092608	1	50	0.0	-55.32	385.60	10.77	-44.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Cl)C=C2)CC1	REAL300003092609	0	40	0.0	-38.56	314.25	8.39	-30.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300003092610	0	52	0.0	-37.88	373.64	10.19	-27.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2NC2=CC=CC=C2)CC1	REAL300003092611	0	52	0.0	-40.06	393.58	10.43	-29.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300003092612	0	42	0.0	-43.17	325.70	8.54	-34.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)CC1	REAL300003092613	0	51	0.0	-39.69	386.42	10.75	-28.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300003092614	0	43	0.0	-39.62	336.22	8.87	-30.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(Cl)=C2)CC1	REAL300003092615	0	40	0.0	-39.15	313.71	8.39	-30.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003092616	0	43	0.0	-40.55	335.69	8.87	-31.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Cl)C=C2[N+](=O)[O-])CC1	REAL300003092617	1	42	0.0	-42.35	341.83	10.01	-32.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300003092618	0	46	0.0	-47.11	361.12	10.13	-36.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC=C3C=C2)CC1	REAL300003092619	0	46	0.0	-38.66	345.31	10.22	-28.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC4CC(CC(Cl)(C4)C2)C3)CC1	REAL300003092620	0	54	0.0	-36.63	371.09	10.11	-26.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3NC4=C(CCCC4)C3=C2)CC1	REAL300003092621	0	54	0.0	-37.20	392.34	10.38	-26.82
CC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092622	0	52	0.0	-61.36	406.52	8.00	-53.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=NC3=CC=CC=C3C(=O)N2)CC1	REAL300003092623	0	54	0.0	-52.50	411.55	9.05	-43.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C3CCCC3=C2)CC1	REAL300003092624	0	50	0.0	-42.69	369.64	10.89	-31.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3=CC=CC=C3O2)CC1	REAL300003092625	0	45	0.0	-58.01	337.99	9.06	-48.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(C3CC3C)O2)CC1	REAL300003092626	0	53	0.0	-52.35	401.41	11.03	-41.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C(F)(F)F)CC1	REAL300003092627	1	43	0.0	-42.64	339.44	6.73	-35.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC(Cl)=CC=C3N2)CC1	REAL300003092628	0	44	0.0	-40.04	347.23	8.88	-31.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NC(=O)C3=CC=CC=C3)C=C2)CC1	REAL300003092629	0	54	0.0	-43.31	408.68	9.90	-33.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3NN=CC3=CC=C2)CC1	REAL300003092630	0	43	0.0	-41.69	327.25	6.64	-35.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=CNN=C32)CC1	REAL300003092630	1	43	0.0	-44.93	327.96	6.75	-38.18
CC1=CC=C2NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=C1	REAL300003092631	0	47	0.0	-39.37	351.88	9.03	-30.34
CC1=NNC(=O)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003092632	0	45	0.0	-41.19	339.85	4.70	-36.49
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=C(F)C=C1	REAL300003092633	0	50	0.0	-40.33	384.86	9.60	-30.73
CC1=CC(C)=NC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=NN21	REAL300003092634	0	48	0.0	-44.63	367.62	8.14	-36.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=C(OC(F)(F)F)C=C3N2)CC1	REAL300003092635	0	48	0.0	-38.87	375.72	8.20	-30.67
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C(C2=CC=CO2)S1	REAL300003092636	1	46	0.0	-36.84	363.44	8.43	-28.41
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1NS(C)(=O)=O	REAL300003092637	0	51	0.0	-48.58	387.49	5.36	-43.22
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC(C)=CC=C1	REAL300003092638	0	53	0.0	-39.13	397.77	10.21	-28.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(F)(F)C2=CC=CC=C2)CC1	REAL300003092639	1	43	0.0	-36.65	331.31	8.92	-27.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN2CC2=CC=CC=C2)CC1	REAL300003092640	0	51	0.0	-37.72	380.57	11.28	-26.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC(C3=CC=CO3)=NO2)CC1	REAL300003092641	0	48	0.0	-45.94	377.86	6.45	-39.49
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=C(C)C=C1	REAL300003092642	0	53	0.0	-40.20	399.85	10.21	-29.99
CCCS(=O)(=O)NC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092643	0	54	0.0	-64.65	420.94	6.20	-58.45
CCS(=O)(=O)NC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092644	0	51	0.0	-64.82	399.44	5.41	-59.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300003092645	0	45	0.0	-47.85	352.32	9.65	-38.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC=C3N2C)CC1	REAL300003092646	0	47	0.0	-38.02	346.78	9.46	-28.56
COC1=CC(Cl)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092647	0	44	0.0	-39.49	346.38	8.19	-31.30
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300003092648	0	46	0.0	-44.81	352.88	8.63	-36.18
COC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003092649	0	47	0.0	-41.61	350.84	8.74	-32.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC(F)=CC=C2F)CC1	REAL300003092650	0	43	0.0	-42.03	335.81	9.09	-32.94
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1Br	REAL300003092651	0	43	0.0	-38.26	337.00	9.07	-29.19
COC1=C2OC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=CC=C1	REAL300003092652	1	47	0.0	-38.64	357.71	7.96	-30.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CC1	REAL300003092653	1	45	0.0	-43.25	363.79	10.49	-32.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(C3=CC=CC=C3Cl)=C2)CC1	REAL300003092654	1	46	0.0	-36.51	371.40	10.08	-26.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(C3=CC=CC=C3F)=C2)CC1	REAL300003092655	1	46	0.0	-37.16	362.91	9.70	-27.46
COC1=CC=C([N+](=O)[O-])C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092656	1	46	0.0	-42.67	353.95	8.76	-33.91
CC(CC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092657	0	49	0.0	-39.00	360.42	10.09	-28.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CN(C)C3=CC=CC=C23)CC1	REAL300003092658	0	50	0.0	-58.40	381.59	10.77	-47.63
COC1=CC=C2NC=C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=C1	REAL300003092659	0	51	0.0	-43.27	385.57	8.30	-34.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOCC2=CC=CC=C2)CC1	REAL300003092660	0	53	0.0	-55.95	404.10	9.89	-46.06
CC1=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C2N1	REAL300003092661	0	50	0.0	-42.42	376.27	9.56	-32.86
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1F	REAL300003092662	0	43	0.0	-37.36	324.26	8.60	-28.76
CC1=CC=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092663	0	46	0.0	-40.97	345.45	9.64	-31.33
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1	REAL300003092664	0	47	0.0	-38.42	347.15	7.92	-30.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=CC=C3F)S2)CC1	REAL300003092665	1	47	0.0	-40.81	374.84	10.65	-30.16
CCCCN1N=C(C)C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1Cl	REAL300003092666	0	56	0.0	-38.74	439.29	10.66	-28.08
C=CCNS(=O)(=O)C1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092667	0	52	0.0	-44.88	407.40	5.44	-39.44
CNS(=O)(=O)C1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1OC	REAL300003092668	0	52	0.0	-47.48	395.67	4.00	-43.48
CCNS(=O)(=O)C1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092669	0	51	0.0	-44.94	394.59	4.90	-40.04
CC(C)NS(=O)(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092670	0	54	0.0	-42.23	412.43	5.51	-36.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=CC=C2)CC1	REAL300003092671	0	49	0.0	-48.94	345.43	9.53	-39.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCN2C=CC3=CC=CC=C32)CC1	REAL300003092672	0	50	0.0	-42.23	378.29	10.98	-31.25
CCNS(=O)(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092673	0	51	0.0	-44.22	395.19	4.95	-39.27
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092674	0	47	0.0	-59.49	381.91	10.25	-49.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300003092675	0	40	0.0	-37.34	329.43	8.86	-28.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(F)C=C3)CCCC2)CC1	REAL300003092676	0	53	0.0	-39.06	376.50	11.21	-27.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1	REAL300003092677	0	54	0.0	-39.87	355.38	9.64	-30.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCCC3)C([N+](=O)[O-])=C2)CC1	REAL300003092678	0	54	0.0	-43.36	402.56	10.21	-33.15
CC(=O)NC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092679	0	47	0.0	-43.23	353.00	6.80	-36.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC=C2)CC1	REAL300003092680	0	46	0.0	-51.43	348.57	9.83	-41.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CNC3=CC=CC=C23)CC1	REAL300003092681	0	53	0.0	-45.16	398.88	10.63	-34.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(Br)=C2)CC1	REAL300003092682	0	40	0.0	-39.12	318.27	8.50	-30.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC=C2)CC1	REAL300003092683	0	44	0.0	-57.24	336.10	8.94	-48.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)CC1	REAL300003092684	0	51	0.0	-56.02	390.79	10.79	-45.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC2=CC(Cl)=CC=C2Cl)CC1	REAL300003092685	1	44	0.0	-55.63	377.44	10.50	-45.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)S(=O)(=O)C2=CC=C(F)C=C2)CC1	REAL300003092686	1	49	0.0	-63.99	386.87	6.64	-57.35
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC(F)F	REAL300003092687	0	48	0.0	-43.72	367.49	7.46	-36.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=CC=C3F)C=C2)CC1	REAL300003092688	0	47	0.0	-39.23	361.21	9.84	-29.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=C(F)C=C3)C=C2)CC1	REAL300003092689	0	47	0.0	-38.43	364.08	9.77	-28.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=CC=C3)C=C2)CC1	REAL300003092690	0	47	0.0	-38.17	358.05	9.70	-28.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(S(=O)(=O)N3CCCC3)O2)CC1	REAL300003092691	1	52	0.0	-43.16	404.96	5.37	-37.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOCCC2=CC=CC=C2)CC1	REAL300003092692	0	56	0.0	-54.76	425.60	10.67	-44.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(S(=O)(=O)N(C)C)O2)CC1	REAL300003092693	1	48	0.0	-44.03	379.67	4.26	-39.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(N3C=NN=N3)C=CS2)CC1	REAL300003092694	1	42	0.0	-50.24	341.18	7.40	-42.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Cl)C3=CC=CC=C3N2)CC1	REAL300003092695	0	44	0.0	-39.84	352.52	8.46	-31.38
CC1=CC=C(C2=NOC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)C=C1	REAL300003092696	1	49	0.0	-38.91	376.77	9.80	-29.11
CNS(=O)(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003092697	1	45	0.0	-44.77	359.95	2.48	-42.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=NC(C(C)(C)C)=NO2)CC1	REAL300003092698	0	56	0.0	-48.25	420.27	7.78	-40.47
CC1=NOC(CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003092699	0	47	0.0	-48.55	358.55	6.17	-42.38
CCC1=NOC(CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003092700	0	50	0.0	-48.40	380.04	6.77	-41.63
CCN(CC)C(=O)N1CCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003092701	0	61	0.0	-50.69	422.02	9.09	-41.60
CC1=CC(NC(=O)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NO1	REAL300003092702	1	43	0.0	-51.39	333.18	5.63	-45.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Cl)C3=CC(Cl)=CC=C3N2)CC1	REAL300003092703	0	44	0.0	-40.83	369.46	8.98	-31.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=CC([N+](=O)[O-])=C3)C=C2)CC1	REAL300003092704	0	49	0.0	-43.67	385.84	10.35	-33.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Cl)C3=CC(F)=CC=C3N2)CC1	REAL300003092705	0	44	0.0	-41.73	358.88	8.49	-33.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC(F)(F)F)CC1	REAL300003092706	1	37	0.0	-54.68	309.96	7.11	-47.57
CC1=CC=C(C2=NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CS2)O1	REAL300003092707	1	46	0.0	-36.92	368.13	8.46	-28.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(Cl)S2)CC1	REAL300003092708	0	43	0.0	-39.86	352.74	9.50	-30.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(CC3=CC=CC=C3)=N2)CC1	REAL300003092709	0	52	0.0	-44.35	410.88	10.63	-33.72
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(CC2=CC=CC=C2)=N1	REAL300003092710	1	52	0.0	-40.47	409.51	10.39	-30.08
CCOC1=CC=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=C1	REAL300003092711	0	51	0.0	-39.22	381.09	8.63	-30.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(CC3=CC=CC=C3)=N2)CC1	REAL300003092712	1	49	0.0	-36.99	386.62	10.27	-26.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(=O)NC3=CC(F)=CC=C32)CC1	REAL300003092713	0	46	0.0	-43.65	360.42	7.14	-36.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Br)C3=CC=CC=C3N2)CC1	REAL300003092714	0	44	0.0	-39.83	356.67	8.53	-31.30
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC2=C1C(=O)CCC2	REAL300003092715	1	49	0.0	-43.90	362.58	8.64	-35.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Cl)C3=CC=CC=C3N2C)CC1	REAL300003092716	0	47	0.0	-37.38	373.82	10.11	-27.27
CCCC1=NOC(CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003092717	0	53	0.0	-48.13	401.54	7.54	-40.59
COC1=CC=C2C(=C1)C=CN2CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092718	0	51	0.0	-48.24	386.70	9.71	-38.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=NC=C(C3=CC=CC=C3)O2)CC1	REAL300003092719	0	55	0.0	-48.08	422.17	9.05	-39.03
CC(C)=CC(=O)NCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092720	0	57	0.0	-42.47	429.54	9.03	-33.44
CCS(=O)(=O)NCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092721	0	54	0.0	-45.69	418.98	5.64	-40.05
CC(C)CNC(=O)N1CCCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C1	REAL300003092722	0	61	0.0	-38.35	436.03	8.46	-29.89
C=CCNS(=O)(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092723	0	52	0.0	-44.31	407.99	5.49	-38.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC3=CC=CC=C3C=C2)CC1	REAL300003092724	0	49	0.0	-44.44	370.36	11.22	-33.22
CCOC1=CC=CC=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092725	0	51	0.0	-42.88	383.16	9.75	-33.13
CC(C)COC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092726	0	53	0.0	-54.52	393.27	9.62	-44.90
CC(OC1=CC=CC(Cl)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092727	0	47	0.0	-46.60	363.03	9.72	-36.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC=C2Br)CC1	REAL300003092728	0	44	0.0	-41.53	351.19	9.96	-31.57
CC1=CC=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092729	0	47	0.0	-52.52	357.51	10.14	-42.38
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300003092730	0	52	0.0	-41.27	397.65	11.23	-30.04
CC(=O)NC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1F	REAL300003092731	0	47	0.0	-43.00	358.88	6.92	-36.08
CCS(=O)(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092732	1	49	0.0	-45.98	379.69	6.36	-39.62
CC(C)CCSCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092733	1	49	0.0	-40.82	369.13	9.44	-31.38
CCCCOC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092734	0	49	0.0	-41.58	357.75	8.33	-33.25
CC(C)CCOC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092735	0	52	0.0	-41.46	375.31	8.86	-32.60
CC(OCC1CCCCO1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092736	0	54	0.0	-44.54	390.34	8.11	-36.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)OCC2CCCO2)CC1	REAL300003092737	0	51	0.0	-44.71	371.44	7.18	-37.53
CC1=CC=C(CCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092738	0	55	0.0	-52.40	412.98	12.07	-40.33
CC1=CC=C(C)C(OCCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092739	0	59	0.0	-53.99	441.53	11.62	-42.37
CC1=CC=CC(OCCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092740	0	56	0.0	-53.94	421.45	10.87	-43.07
CC(C)OC1=CC=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092741	0	53	0.0	-43.27	394.30	9.85	-33.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Br)C(C3CC3)=NN2)CC1	REAL300003092742	0	44	0.0	-38.01	352.32	7.54	-30.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CC1	REAL300003092743	1	48	0.0	-40.61	366.76	9.13	-31.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC2C2=CN(C)N=C2)CC1	REAL300003092744	0	47	0.0	-44.15	348.27	7.91	-36.24
COCCOCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092745	0	47	0.0	-52.86	356.32	5.34	-47.52
CC(CC1=CC=CC(F)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092746	0	49	0.0	-41.35	366.03	10.14	-31.21
CC(CC1=CC=C(F)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092747	0	49	0.0	-52.51	369.85	10.17	-42.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CSC=N2)CC1	REAL300003092748	0	42	0.0	-51.44	332.88	6.85	-44.59
COC1=CC=C(C)C=C1N1C=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003092749	0	54	0.0	-37.52	402.00	9.90	-27.62
CC1=CC=CC=C1N1N=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=C1CCC2	REAL300003092750	0	57	0.0	-41.62	428.12	12.13	-29.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN(CC3=CC=CC=C3)C2=O)CC1	REAL300003092751	0	53	0.0	-46.48	409.15	10.87	-35.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC3=CC(Cl)=CC=C3S2)CC1	REAL300003092752	0	48	0.0	-53.72	397.04	9.76	-43.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)CC2CCCCC2)CC1	REAL300003092753	0	56	0.0	-53.16	405.99	7.73	-45.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)NC(=O)CC2CCCCC2)CC1	REAL300003092754	0	59	0.0	-40.29	421.34	8.34	-31.95
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)NC(=O)C1CCCC1	REAL300003092755	0	56	0.0	-60.86	411.40	8.19	-52.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=C(F)C=C3)N2C)CC1	REAL300003092756	0	51	0.0	-41.72	380.94	10.63	-31.09
CC1=CC=CC(N2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=N2)=C1	REAL300003092757	1	49	0.0	-38.44	375.58	8.92	-29.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN2C(=O)CC(C)(C)C)CC1	REAL300003092758	0	59	0.0	-39.95	418.40	9.34	-30.61
CC1=CC=CC=C1C(C)(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092759	0	52	0.0	-33.97	356.64	9.65	-24.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=C3OCCOC3=C2)CC1	REAL300003092760	0	55	0.0	-38.16	384.39	8.80	-29.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC(F)=C2F)CC1	REAL300003092761	0	46	0.0	-44.63	357.23	9.88	-34.75
CC1=NN(C)C(C)=C1C(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092762	0	52	0.0	-45.73	370.64	7.81	-37.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COCC2CCCO2)CC1	REAL300003092763	0	48	0.0	-57.83	358.71	6.80	-51.03
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(C(C)(C)C)=N1	REAL300003092764	1	51	0.0	-39.62	387.49	8.42	-31.20
CC1=CC=C(C2=NC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)S2)C(C)=C1	REAL300003092765	1	52	0.0	-38.16	400.93	10.74	-27.42
CC1=CN(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C12	REAL300003092766	0	50	0.0	-45.36	379.07	11.09	-34.27
CC1=CC=C2C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CNC2=C1	REAL300003092767	0	50	0.0	-58.13	380.52	9.70	-48.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CNC3=CC(Cl)=CC=C23)CC1	REAL300003092768	0	47	0.0	-58.72	375.86	9.54	-49.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC(Cl)=CC=C2Cl)CC1	REAL300003092769	0	43	0.0	-40.45	354.59	9.93	-30.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCCC(C)C2)CC1	REAL300003092770	0	52	0.0	-39.55	364.77	9.87	-29.68
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CCCCC1	REAL300003092771	0	55	0.0	-50.84	381.86	10.41	-40.43
CC1=NN(C2=CC=CC=C2)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092772	0	50	0.0	-41.97	377.44	9.66	-32.31
COC1=CC=C(C2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=NO2)C(F)=C1	REAL300003092773	1	50	0.0	-37.81	391.60	8.97	-28.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOC2=CC=CC=C2Cl)CC1	REAL300003092774	0	50	0.0	-57.91	394.58	9.98	-47.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CS(C)(=O)=O)O2)CC1	REAL300003092775	1	46	0.0	-50.02	366.04	4.58	-45.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(OC2CCCC2)C2=CC=CC=C2)CC1	REAL300003092776	0	57	0.0	-54.78	419.20	11.73	-43.05
CC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1=CC=CC=C1C(C)C	REAL300003092777	1	58	0.0	-41.43	431.36	12.57	-28.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CSC=N2)CC1	REAL300003092778	0	40	0.0	-50.59	322.08	6.66	-43.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300003092779	0	49	0.0	-38.53	374.93	10.48	-28.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSCC(=O)C2=CC=CC=C2)CC1	REAL300003092780	1	49	0.0	-63.80	391.67	10.28	-53.52
CCN1C=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C21	REAL300003092781	0	53	0.0	-42.61	400.32	11.64	-30.97
CCCNC(=O)C1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092782	0	53	0.0	-45.97	396.89	7.77	-38.20
C#CCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092783	0	46	0.0	-39.57	354.65	8.69	-30.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)NS(C)(=O)=O)CC1	REAL300003092784	0	47	0.0	-60.28	336.04	2.61	-57.67
COCCCOC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092785	0	54	0.0	-41.58	403.49	7.98	-33.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CC3CC(=O)NC3=O)C=C2)CC1	REAL300003092786	0	53	0.0	-43.67	399.32	7.03	-36.64
CC1=C2NC=C(CCC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=CC=C1	REAL300003092787	0	53	0.0	-42.80	398.61	10.49	-32.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC2C2=CC(Cl)=CC(Cl)=C2)CC1	REAL300003092788	0	47	0.0	-39.95	384.67	11.29	-28.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(N3CCNC3=O)=CC=C2Cl)CC1	REAL300003092789	0	50	0.0	-43.57	387.13	7.17	-36.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Cl)C(N3CCNC3=O)=C2)CC1	REAL300003092790	0	50	0.0	-44.18	393.39	7.67	-36.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(CC2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300003092791	0	59	0.0	-54.85	440.23	13.75	-41.10
CCC(=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(C)C=C1	REAL300003092792	0	53	0.0	-38.09	389.22	11.50	-26.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC=CC2=CC=C(F)C=C2)CC1	REAL300003092793	0	47	0.0	-55.30	364.63	10.40	-44.90
CC(C)C1=NN(C)C(Cl)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092794	1	49	0.0	-38.00	386.13	8.12	-29.88
CC1=CC=C(C2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=CO2)C=C1	REAL300003092795	0	49	0.0	-39.40	380.59	7.33	-32.07
CCCC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003092796	1	45	0.0	-37.71	348.15	7.30	-30.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)C2=CC3=CC=CC=C3N2)CC1	REAL300003092797	0	51	0.0	-43.08	392.17	6.69	-36.39
COCCOCC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1F	REAL300003092798	0	54	0.0	-39.91	411.80	8.07	-31.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC2C2CCCCC2)CC1	REAL300003092799	0	53	0.0	-39.39	377.75	10.59	-28.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(C(C)(C)C)=C2)CC1	REAL300003092800	1	48	0.0	-35.45	358.12	8.54	-26.91
CC(C)C1=NN(C)C2=C1C=C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)S2	REAL300003092801	1	52	0.0	-39.84	403.16	8.93	-30.91
CCN1N=C(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1Cl	REAL300003092802	1	46	0.0	-40.14	366.26	7.71	-32.43
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1N1C=NC=N1	REAL300003092803	0	49	0.0	-42.60	372.13	11.44	-31.16
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092804	0	49	0.0	-43.75	371.68	11.08	-32.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=CC=C3)N2C)CC1	REAL300003092805	0	51	0.0	-38.89	373.20	10.56	-28.33
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC(F)=C1	REAL300003092806	0	46	0.0	-44.88	347.43	9.46	-35.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC3=CC=CS3)N=N2)CC1	REAL300003092807	1	46	0.0	-38.58	369.58	7.83	-30.75
CC1=NN(C)C(C)=C1CC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092808	0	55	0.0	-55.40	399.16	8.65	-46.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(C3=CC=CC=C3)CC2)CC1	REAL300003092809	0	56	0.0	-41.22	392.09	11.57	-29.65
CC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092810	0	45	0.0	-41.90	346.82	9.22	-32.68
COC1=CC(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300003092811	0	50	0.0	-66.98	391.59	9.69	-57.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOC2=CC=C(F)C=C2F)CC1	REAL300003092812	0	50	0.0	-59.44	391.18	9.55	-49.89
CCC1=NC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003092813	1	45	0.0	-39.44	349.60	7.37	-32.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(S(C)(=O)=O)CCCC2)CC1	REAL300003092814	1	49	0.0	-61.29	346.49	5.18	-56.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNC3=CC=C([N+](=O)[O-])C=C23)CC1	REAL300003092815	0	46	0.0	-48.17	359.99	8.65	-39.52
CCC(C)C(=O)N1CCCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C1	REAL300003092817	0	59	0.0	-42.57	415.32	9.02	-33.55
COC1=CC(Br)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092818	0	44	0.0	-39.40	350.94	8.29	-31.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=CC=CC=C32)CC1	REAL300003092819	0	46	0.0	-37.74	342.86	10.19	-27.55
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300003092820	0	46	0.0	-47.24	352.95	8.64	-38.60
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003092821	0	46	0.0	-36.65	335.93	9.11	-27.54
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CC=C1[N+](=O)[O-]	REAL300003092822	0	45	0.0	-42.61	340.93	9.08	-33.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300003092823	0	56	0.0	-52.88	416.02	12.91	-39.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2CC2=CC=CC=C2)CC1	REAL300003092824	0	53	0.0	-37.31	393.58	12.12	-25.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CC3CCC2C3)CC1	REAL300003092825	0	50	0.0	-40.10	348.95	9.57	-30.53
COC1=CC(OC)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003092826	0	52	0.0	-40.77	386.97	7.14	-33.63
CCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003092827	0	49	0.0	-41.68	359.84	10.03	-31.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300003092828	0	46	0.0	-61.68	364.30	10.14	-51.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Cl)C3=CC=CC=C3S2)CC1	REAL300003092829	1	43	0.0	-39.16	347.48	9.70	-29.46
CC1=CC=CC(NC2=CC=CC=C2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003092830	0	58	0.0	-37.92	428.88	11.81	-26.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Cl)C3=CC=C(F)C=C3S2)CC1	REAL300003092831	1	43	0.0	-37.13	358.33	10.02	-27.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(Br)C=C2)CC1	REAL300003092832	0	43	0.0	-55.11	348.48	9.65	-45.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2CCCCC2)CC1	REAL300003092833	0	52	0.0	-40.23	366.26	9.96	-30.27
CC1=CC=C(C(=O)NCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003092834	0	47	0.0	-41.58	372.37	6.54	-35.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC2CCS(=O)(=O)C2)CC1	REAL300003092835	1	47	0.0	-52.91	371.89	5.36	-47.55
CNS(=O)(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092836	0	48	0.0	-44.71	374.14	4.10	-40.61
COC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092837	1	46	0.0	-41.59	352.75	8.87	-32.72
CCOC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C([N+](=O)[O-])C=C1OC	REAL300003092838	1	53	0.0	-42.67	404.85	9.60	-33.07
COC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1F	REAL300003092839	0	47	0.0	-48.10	359.73	8.36	-39.74
CC(C)CC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092840	0	55	0.0	-53.19	408.33	11.71	-41.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCNC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300003092841	0	53	0.0	-61.10	411.89	9.42	-51.68
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092842	0	56	0.0	-48.41	421.63	11.09	-37.32
CC1=CC=NN1C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092843	0	50	0.0	-43.17	374.66	9.47	-33.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCS(=O)(=O)C2)CC1	REAL300003092844	0	46	0.0	-53.49	346.82	4.62	-48.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(N3CCCC3=O)=C2)CC1	REAL300003092845	0	51	0.0	-47.30	374.52	8.97	-38.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC=C3OC2)CC1	REAL300003092846	0	46	0.0	-38.82	349.92	8.63	-30.19
CON(C)S(=O)(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092847	0	52	0.0	-43.21	406.41	6.08	-37.13
CCOC1=CC([N+](=O)[O-])=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003092848	1	53	0.0	-42.78	404.90	9.60	-33.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2OCC2=CSC=N2)CC1	REAL300003092849	0	50	0.0	-41.60	389.49	9.24	-32.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(CC2=CC=CC=C2)N2C=NN=N2)CC1	REAL300003092850	0	51	0.0	-55.10	391.82	9.86	-45.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC3=CC=CC=C3)N=C2)CC1	REAL300003092851	0	50	0.0	-39.76	382.65	9.55	-30.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300003092852	0	47	0.0	-40.02	357.17	9.07	-30.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3OCCOC3=C2)CC1	REAL300003092853	0	46	0.0	-41.92	341.44	7.06	-34.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCNC(=O)C2=CSC=C2)CC1	REAL300003092854	0	50	0.0	-57.67	396.50	7.18	-50.49
CC1=NOC(C(C)C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092855	1	48	0.0	-41.10	365.01	8.46	-32.64
CCOC1=CC=CC=C1CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092856	0	53	0.0	-40.86	395.65	10.07	-30.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(C(C)(C)C)C=C2)CC1	REAL300003092857	0	58	0.0	-39.69	421.68	12.12	-27.57
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(F)=C1	REAL300003092858	0	44	0.0	-41.07	336.25	7.32	-33.75
CC(C)C(NC(=O)C1=CC=CS1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092859	0	53	0.0	-53.40	397.43	7.47	-45.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)CC1	REAL300003092860	0	52	0.0	-43.14	406.71	5.71	-37.43
COC1=CC=C(N2C(C)=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2C)C=C1	REAL300003092861	0	58	0.0	-37.70	434.86	11.25	-26.45
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C12	REAL300003092862	0	50	0.0	-38.57	371.61	9.55	-29.02
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)NC(=O)C1=CC=CC=C1	REAL300003092863	0	53	0.0	-62.37	403.02	8.62	-53.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCN2NC(=O)C3=CC=CC=C3C2=O)CC1	REAL300003092864	0	52	0.0	-46.05	400.67	6.89	-39.16
CC(C)C1=CC=C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092865	0	53	0.0	-44.82	393.19	10.83	-33.99
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092866	1	51	0.0	-39.14	388.44	9.17	-29.97
CC(=O)NCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092867	0	50	0.0	-43.51	379.76	6.95	-36.56
CC(=O)NC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092868	0	50	0.0	-61.42	383.47	7.92	-53.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC=C2C(C)(C)C)CC1	REAL300003092869	0	56	0.0	-55.53	407.27	11.47	-44.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3CC3)N(C3=CC=CC=C3)N=N2)CC1	REAL300003092870	1	53	0.0	-44.22	398.32	9.68	-34.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCS(=O)(=O)C2)CC1	REAL300003092871	0	43	0.0	-47.41	326.67	3.81	-43.60
CC1=CC2=CC=CC=C2N1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092872	0	50	0.0	-47.97	377.16	10.87	-37.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(S2)C2=C(C=CC=C2)S3)CC1	REAL300003092873	1	46	0.0	-40.06	372.28	10.71	-29.35
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092874	0	55	0.0	-46.20	405.98	12.04	-34.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOC2=CC=C(Cl)C=C2)CC1	REAL300003092875	0	50	0.0	-56.16	395.28	9.94	-46.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOC2=CC=CC3=CC=CC=C32)CC1	REAL300003092876	0	56	0.0	-57.55	423.59	11.75	-45.80
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=CC=C1C	REAL300003092877	0	53	0.0	-39.57	393.36	10.41	-29.16
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1OC1CCCC1	REAL300003092878	0	58	0.0	-41.41	421.52	10.01	-31.40
COCCSCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092879	1	44	0.0	-41.39	342.24	6.42	-34.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)CC2=CC=CC(F)=C2)CC1	REAL300003092880	0	50	0.0	-56.67	392.56	7.53	-49.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(OC2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300003092881	0	54	0.0	-57.37	407.18	12.16	-45.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2CCCCCCC2=O)CC1	REAL300003092882	0	53	0.0	-40.17	365.65	8.45	-31.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC(Br)=CC=C3N2)CC1	REAL300003092883	0	44	0.0	-39.96	351.78	8.99	-30.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(OCC3=CC=CS3)=C2)CC1	REAL300003092884	0	51	0.0	-40.96	398.46	10.23	-30.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=C(Cl)N2C)CC1	REAL300003092885	0	41	0.0	-37.10	333.37	8.25	-28.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCN2CCCS2(=O)=O)CC1	REAL300003092886	0	48	0.0	-61.59	370.63	4.34	-57.25
CCCOC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092887	0	54	0.0	-41.02	405.71	10.49	-30.53
CC(=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003092888	0	47	0.0	-49.48	355.73	10.26	-39.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3=CC=CC=C32)CC1	REAL300003092889	0	50	0.0	-52.95	362.69	10.42	-42.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=NC(C3=CC=CS3)=NO2)CC1	REAL300003092890	0	51	0.0	-50.13	408.78	8.21	-41.92
CC1=NC(C2=CC=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)=CS1	REAL300003092891	0	49	0.0	-43.58	382.05	9.30	-34.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)S(C)(=O)=O)CC1	REAL300003092892	1	42	0.0	-54.40	320.51	3.99	-50.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CS(=O)(=O)CCCC2=CC=CC=C2)CC1	REAL300003092893	1	55	0.0	-71.62	433.07	8.56	-63.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1	REAL300003092894	1	49	0.0	-57.86	368.99	5.87	-51.99
CCCS(=O)(=O)C1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092895	1	52	0.0	-50.78	395.42	8.59	-42.19
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092896	1	52	0.0	-51.72	392.68	8.22	-43.50
CCCC(=O)N1CSCC1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092897	0	51	0.0	-40.37	384.25	8.01	-32.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CSCN2C(=O)CC(C)(C)C)CC1	REAL300003092898	0	57	0.0	-39.67	414.20	9.93	-29.74
CCCCC(=O)N1CSCC1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092899	0	54	0.0	-40.39	405.76	8.78	-31.61
CC(C)OC1=CC=CC=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092900	0	53	0.0	-39.43	392.28	9.92	-29.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C(N)=O)=C2)CC1	REAL300003092901	0	44	0.0	-46.42	331.97	4.66	-41.76
C=CCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092902	0	48	0.0	-37.61	361.77	8.73	-28.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)NCC2=CC=C(Cl)C=C2)CC1	REAL300003092903	0	52	0.0	-54.90	418.82	6.68	-48.22
CC(C)CCC(=O)NCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092904	0	52	0.0	-53.64	386.70	6.53	-47.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CC(C)CC(C)(C)C2)CC1	REAL300003092905	0	58	0.0	-39.20	395.76	10.67	-28.53
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092906	0	50	0.0	-61.59	386.63	10.25	-51.34
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092907	0	47	0.0	-43.90	379.98	10.23	-33.67
COC1=CC=C(CCCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092908	0	59	0.0	-54.97	442.57	11.47	-43.50
CCSC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C(C)C	REAL300003092909	1	49	0.0	-41.22	349.66	8.80	-32.42
CC1=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C(C2=CSC=C2)O1	REAL300003092910	0	49	0.0	-47.80	392.05	7.04	-40.76
CCN1N=C(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003092911	0	49	0.0	-54.13	372.33	7.86	-46.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2=CC=CC=C2)N2CCCCC2=O)CC1	REAL300003092912	0	57	0.0	-56.43	414.34	11.21	-45.22
CC(C)CC(=O)NC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003092913	0	59	0.0	-53.14	438.48	9.58	-43.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003092914	0	52	0.0	-40.00	379.08	10.65	-29.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC(OC3CCCC3)=C2)CC1	REAL300003092915	0	60	0.0	-52.15	442.99	12.02	-40.13
CC(C)OC1=CC=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092916	0	54	0.0	-54.40	406.47	10.41	-43.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC=C(C(C)(C)C)C=C2)CC1	REAL300003092917	0	61	0.0	-53.44	446.28	12.94	-40.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=CC=CC=C32)CC1	REAL300003092918	0	47	0.0	-53.61	349.48	9.93	-43.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(S(N)(=O)=O)C=C2)CC1	REAL300003092919	0	48	0.0	-63.68	381.36	3.98	-59.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)F)N(C)N=C2)CC1	REAL300003092920	0	43	0.0	-40.90	329.36	6.32	-34.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC([N+](=O)[O-])=C2N)CC1	REAL300003092921	0	44	0.0	-42.34	335.47	6.85	-35.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C3=CC=CC=C3Cl)=N2)CC1	REAL300003092922	1	46	0.0	-36.99	374.13	9.85	-27.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC(C(F)(F)F)=C3)CC2)CC1	REAL300003092923	0	50	0.0	-44.19	387.28	10.84	-33.35
CC(=O)NC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=C(F)C=CC=C1F	REAL300003092924	0	53	0.0	-60.31	414.25	8.92	-51.39
CC1=CC=CC=C1C1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003092925	1	49	0.0	-35.71	376.94	9.79	-25.92
CC(C)C(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003092926	0	55	0.0	-51.87	398.40	11.30	-40.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)C2=CC=C3OCCOC3=C2)CC1	REAL300003092927	0	52	0.0	-44.16	381.46	8.45	-35.71
CCC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003092928	0	52	0.0	-51.11	381.71	10.91	-40.20
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(CC(C)C)=N1	REAL300003092929	1	51	0.0	-37.29	386.08	8.43	-28.86
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1CC1CC1	REAL300003092930	0	54	0.0	-37.04	396.59	11.03	-26.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC(C3=CC=CC=C3)=N2)CC1	REAL300003092931	1	46	0.0	-36.88	357.10	7.66	-29.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)NCCCC2=CC=CC=C2)CC1	REAL300003092932	1	53	0.0	-48.78	405.97	8.10	-40.68
CCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003092933	0	51	0.0	-56.71	380.98	8.03	-48.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N(C)C)C([N+](=O)[O-])=C2)CC1	REAL300003092934	0	50	0.0	-45.48	377.79	9.15	-36.33
CC1=CC=C(NC(=O)CSCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092935	1	54	0.0	-65.13	426.56	9.35	-55.78
CC(C)C1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092936	0	53	0.0	-40.05	393.09	11.37	-28.68
CC1=CC=C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1	REAL300003092937	0	50	0.0	-56.80	377.58	10.32	-46.48
CCCC1=C(C)SC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092938	1	49	0.0	-35.01	370.22	9.75	-25.26
CCCOC1=C(Cl)C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003092939	0	54	0.0	-56.58	422.30	9.52	-47.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2N(C)C)CC1	REAL300003092940	0	50	0.0	-41.45	381.72	8.55	-32.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(Br)S2)CC1	REAL300003092941	0	41	0.0	-37.61	344.96	9.27	-28.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC=C3N2)CC1	REAL300003092942	0	44	0.0	-39.31	330.44	8.38	-30.93
CC1=C(C)SC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092943	1	43	0.0	-34.86	326.82	8.22	-26.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(S(C)(=O)=O)=CC=C2Cl)CC1	REAL300003092944	1	46	0.0	-43.92	375.54	5.97	-37.95
COC1=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1OC(C)C	REAL300003092945	0	58	0.0	-56.85	434.35	10.25	-46.60
CC1=CC(NC(=O)CSCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NO1	REAL300003092946	1	50	0.0	-64.81	401.28	7.88	-56.93
CCC1=C(C)SC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092947	1	46	0.0	-34.74	347.39	8.95	-25.79
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092948	1	49	0.0	-45.33	383.08	2.50	-42.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(COC3=CC=CC=C3)O2)CC1	REAL300003092949	1	51	0.0	-37.76	392.04	9.65	-28.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN2S(C)(=O)=O)CC1	REAL300003092951	0	48	0.0	-46.21	359.76	4.09	-42.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC(Cl)=C2)CC1	REAL300003092952	0	44	0.0	-59.15	352.83	9.46	-49.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3CCCC3)C=C2)CC1	REAL300003092953	0	54	0.0	-37.84	394.37	10.17	-27.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OCC(F)(F)F)C=C2)CC1	REAL300003092954	0	47	0.0	-40.25	368.43	8.62	-31.63
CCCOC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092955	0	50	0.0	-54.74	373.16	8.93	-45.81
CC(SCC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092956	1	50	0.0	-44.09	383.78	10.78	-33.31
CC(C)C1=CC=C(SCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092957	1	53	0.0	-43.25	402.79	11.41	-31.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(SCC3=CC=CC=C3)C=C2)CC1	REAL300003092958	0	54	0.0	-38.02	419.03	12.78	-25.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC=C2C(F)(F)F)CC1	REAL300003092959	0	47	0.0	-61.85	373.57	9.99	-51.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C(F)C=C2F)CC1	REAL300003092960	0	44	0.0	-62.08	348.73	9.07	-53.01
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C(C)C1=CC=CC=C1	REAL300003092961	0	60	0.0	-37.42	422.58	12.09	-25.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCN2C=CC=CC2=O)CC1	REAL300003092962	0	46	0.0	-45.79	349.27	8.06	-37.73
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092963	0	59	0.0	-42.81	423.61	11.58	-31.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC(Br)=C2)CC1	REAL300003092964	1	37	0.0	-51.47	304.13	6.70	-44.77
CC(C)CC1=NNC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003092965	0	49	0.0	-37.51	358.71	7.72	-29.79
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1N1C=NN=N1	REAL300003092966	0	48	0.0	-44.66	367.39	9.08	-35.58
CC1=CC(OC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1Cl	REAL300003092967	0	50	0.0	-45.14	383.91	10.38	-34.76
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1CC1=CC=CC=C1	REAL300003092968	0	53	0.0	-39.47	396.28	9.86	-29.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2=CC=CC=C2)N2C=CC=N2)CC1	REAL300003092969	0	50	0.0	-37.73	378.45	9.60	-28.13
COC1=CC=CC(Cl)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092970	0	44	0.0	-38.08	348.63	7.88	-30.20
CC1=CNC(=O)N1C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092971	0	51	0.0	-43.74	389.03	8.77	-34.97
CC1=CC=C2OC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=C1	REAL300003092972	1	46	0.0	-36.64	348.98	9.39	-27.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC(F)=CC=C2F)CC1	REAL300003092973	0	46	0.0	-40.95	357.34	9.89	-31.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCN2C=C([N+](=O)[O-])C=N2)CC1	REAL300003092974	0	45	0.0	-57.50	359.74	7.72	-49.78
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC2=C(C)C=CC=C12	REAL300003092975	1	49	0.0	-36.64	366.59	9.92	-26.72
COCCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C21	REAL300003092976	0	54	0.0	-41.10	410.54	9.71	-31.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C)(C)C2=CC=CC=C2)CC1	REAL300003092977	0	52	0.0	-51.91	372.57	10.58	-41.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN2C(=O)C(C)(C)C)CC1	REAL300003092978	0	56	0.0	-42.74	393.45	8.13	-34.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CSC3(C)CCC(=O)N23)CC1	REAL300003092979	0	49	0.0	-48.23	361.96	8.44	-39.79
CC(C)C(SCC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092980	1	56	0.0	-43.52	419.03	12.01	-31.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC(=O)NC2CCCC2)CC1	REAL300003092981	0	53	0.0	-52.16	392.28	7.37	-44.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CO3)=NC3=CC=CC=C32)CC1	REAL300003092982	0	52	0.0	-40.77	401.48	10.11	-30.66
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(O)=C1	REAL300003092983	0	44	0.0	-41.54	328.43	6.84	-34.70
CC(C)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003092984	0	49	0.0	-36.79	357.91	9.79	-27.00
CC1=CC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1	REAL300003092985	0	49	0.0	-38.54	363.93	9.85	-28.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2OCCC3=CC=CC=C32)CC1	REAL300003092986	0	48	0.0	-41.19	347.14	9.37	-31.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Cl)O2)CC1	REAL300003092987	1	37	0.0	-35.49	297.72	6.93	-28.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Br)C(F)=C2)CC1	REAL300003092988	0	40	0.0	-37.94	324.53	8.56	-29.38
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(Br)=C1	REAL300003092989	0	44	0.0	-39.10	348.85	7.86	-31.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=CC=C3)N=C2C(C)(C)C)CC1	REAL300003092990	0	59	0.0	-39.10	432.91	11.47	-27.63
COC1=CC=C(C(C)(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003092991	0	57	0.0	-40.64	401.69	8.70	-31.94
COC1=CC=CC=C1C(C)(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003092992	0	53	0.0	-36.89	366.42	9.16	-27.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=CC([N+](=O)[O-])=N2)CC1	REAL300003092993	0	42	0.0	-58.85	334.65	8.05	-50.80
CCOCCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCC1	REAL300003092994	0	56	0.0	-52.47	393.36	8.47	-44.00
CC1=CC(CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)S1	REAL300003092995	0	52	0.0	-43.31	396.70	10.97	-32.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCCCCC2)CC1	REAL300003092996	0	52	0.0	-38.08	356.12	9.65	-28.43
CC1=CC=C2CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)SC2=C1	REAL300003092997	1	48	0.0	-38.85	367.59	10.43	-28.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N)C([N+](=O)[O-])=C2)CC1	REAL300003092998	0	44	0.0	-45.03	335.16	6.64	-38.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(S(=O)(=O)N(C)C)=C2)CC1	REAL300003092999	0	51	0.0	-44.60	392.55	5.87	-38.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1	REAL300003093000	0	57	0.0	-37.57	378.95	10.89	-26.68
COC1=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(OC)=C1OC	REAL300003093001	0	58	0.0	-46.02	437.38	8.91	-37.11
COC1=CC2=CC=CC=C2C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093002	0	50	0.0	-39.47	374.97	9.83	-29.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(C(C)(C)C)CC2)CC1	REAL300003093003	0	58	0.0	-40.58	393.71	10.35	-30.23
CC1=CC(OCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1Cl	REAL300003093004	0	53	0.0	-56.19	413.99	10.52	-45.67
CC(C)C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300003093005	0	52	0.0	-52.65	397.17	11.02	-41.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOC2=CC=C(C(C)(C)C)C=C2)CC1	REAL300003093006	0	62	0.0	-55.55	454.72	11.74	-43.81
CC(C)COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093007	0	53	0.0	-37.07	390.46	9.65	-27.42
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1OCC(C)C	REAL300003093008	0	57	0.0	-56.30	422.58	9.51	-46.79
CCCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093009	0	50	0.0	-37.11	370.36	8.94	-28.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN2C(=O)OC(C)(C)C)CC1	REAL300003093010	0	57	0.0	-49.50	411.29	8.48	-41.02
CCC(OC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093011	0	50	0.0	-45.17	360.94	9.75	-35.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC3=CC=CC=C32)CC1	REAL300003093012	0	50	0.0	-58.74	381.13	11.25	-47.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3)CCCC2)CC1	REAL300003093013	0	53	0.0	-37.20	370.11	11.14	-26.06
CCC1=CC=CC(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093014	0	50	0.0	-43.57	375.86	10.34	-33.23
CCOC1=CC=C2OC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C(C)C2=C1	REAL300003093015	1	53	0.0	-37.62	397.20	9.63	-27.99
CCC1=CC=C2C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=COC2=C1	REAL300003093016	0	52	0.0	-46.43	394.93	10.75	-35.68
CSC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093017	0	44	0.0	-38.21	338.15	8.90	-29.31
CC(C)C1=CC=CC=C1OCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093018	0	53	0.0	-56.59	394.71	10.91	-45.68
CC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003093019	0	49	0.0	-42.45	362.68	10.17	-32.28
CCCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OCC	REAL300003093020	0	57	0.0	-41.08	422.93	9.81	-31.27
CC1=CC=C(SCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1	REAL300003093021	1	50	0.0	-55.32	385.62	10.77	-44.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)CC1	REAL300003093022	0	60	0.0	-38.84	395.86	10.57	-28.27
CSC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300003093023	0	46	0.0	-45.79	361.12	9.41	-36.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(S(=O)(=O)C(F)F)C=C2)CC1	REAL300003093024	1	46	0.0	-42.95	371.41	5.85	-37.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSCC2=CC=C(F)C=C2)CC1	REAL300003093025	1	47	0.0	-57.25	378.02	10.50	-46.75
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=C(Cl)C=C1	REAL300003093026	0	50	0.0	-39.86	395.17	10.05	-29.81
COC1=CC(OC)=C2NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=C1	REAL300003093027	0	52	0.0	-40.71	388.82	6.99	-33.72
CC1=C2C(=CC=C1)SC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)=C2Cl	REAL300003093028	1	46	0.0	-36.83	363.29	10.26	-26.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCCN2C(=O)OC(C)(C)C)CC1	REAL300003093029	0	60	0.0	-53.59	424.19	9.72	-43.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)NC(=O)OC(C)(C)C)CC1	REAL300003093030	0	53	0.0	-40.94	386.91	5.73	-35.21
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093031	0	59	0.0	-38.81	412.74	6.73	-32.08
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093032	0	62	0.0	-40.38	436.03	7.39	-32.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1	REAL300003093033	0	50	0.0	-53.80	371.55	5.10	-48.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC=C2C(F)(F)F)CC1	REAL300003093034	0	46	0.0	-38.36	353.11	9.66	-28.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC(Br)=C2)CC1	REAL300003093035	0	43	0.0	-43.69	345.39	9.60	-34.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3=CC=CC=C32)CC1	REAL300003093036	0	44	0.0	-40.14	326.75	9.38	-30.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC3=CC=CC=C23)CC1	REAL300003093037	0	46	0.0	-57.91	363.62	10.35	-47.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CC1	REAL300003093038	0	56	0.0	-51.67	396.85	7.14	-44.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN(C)C(=O)OC(C)(C)C)CC1	REAL300003093039	0	53	0.0	-57.39	392.30	7.99	-49.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=CC=C2Br)CC1	REAL300003093040	0	40	0.0	-36.97	335.99	9.08	-27.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3NC=CC3=CC=C2)CC1	REAL300003093041	0	44	0.0	-38.72	332.59	8.04	-30.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C3OCOC3=C2)CC1	REAL300003093042	0	46	0.0	-46.84	350.38	7.64	-39.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3OCCC3=C2)CC1	REAL300003093043	0	45	0.0	-38.81	333.35	7.75	-31.06
COC1=C(OC)C=C2NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=C1	REAL300003093044	0	52	0.0	-42.67	389.10	7.60	-35.07
CC1=CC=CC(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093045	0	46	0.0	-50.35	345.70	9.23	-41.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(Br)C=C2)CC1	REAL300003093046	0	46	0.0	-40.83	366.78	10.42	-30.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1	REAL300003093047	0	62	0.0	-38.90	425.30	7.92	-30.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCCC2)CC1	REAL300003093048	0	60	0.0	-38.04	419.69	8.30	-29.74
CC(C)C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003093049	0	52	0.0	-38.70	377.16	10.49	-28.21
COC1=CC=CC(F)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093050	1	44	0.0	-39.02	339.13	7.48	-31.54
CC(OC1=CC=CC=C1F)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093051	0	47	0.0	-61.39	355.38	9.27	-52.12
CCCCS(=O)(=O)N1CCCC1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093052	0	57	0.0	-45.86	424.21	6.56	-39.30
CCCCSCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093053	1	46	0.0	-40.94	351.56	8.93	-32.01
CC(C)SC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093054	0	50	0.0	-37.07	382.43	10.50	-26.57
CCC(OC1CCCCC1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093055	0	56	0.0	-53.04	399.19	10.25	-42.79
CC1=C(C2CC2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC=C1	REAL300003093056	0	47	0.0	-37.51	362.92	10.01	-27.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2(CS(C)(=O)=O)CC2)CC1	REAL300003093057	0	49	0.0	-43.27	373.27	5.66	-37.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(=O)C3=CNC=C3)C=C2)CC1	REAL300003093058	0	50	0.0	-44.11	382.24	9.16	-34.95
CC1=CC=C(F)C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093059	0	47	0.0	-60.94	363.73	9.67	-51.27
CC1=CC=C(SC2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCCC2)C=C1	REAL300003093060	1	57	0.0	-38.48	410.02	11.70	-26.78
CC1=NN(C)C(C)=C1OCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093061	0	50	0.0	-44.92	382.02	7.84	-37.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CSCC2=CC=CO2)CC1	REAL300003093062	0	45	0.0	-52.21	363.48	8.91	-43.30
CSC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(Cl)C=C1Cl	REAL300003093063	0	44	0.0	-37.11	368.89	9.91	-27.20
COC1=CC=C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003093064	0	51	0.0	-58.82	385.66	8.98	-49.84
CCC(CC)N1N=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093065	0	52	0.0	-37.88	376.02	8.81	-29.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(OCC3=CC=CC=C3)CCOCC2)CC1	REAL300003093066	0	58	0.0	-37.51	413.38	8.97	-28.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CCC(CC2Br)C3)CC1	REAL300003093067	0	47	0.0	-40.66	339.80	8.90	-31.76
CC(C)COC1=CC=CC(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093068	0	57	0.0	-59.58	429.05	10.66	-48.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC(S(=O)(=O)N(C)C)=C2)CC1	REAL300003093069	1	48	0.0	-57.62	381.17	3.97	-53.65
CSCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093070	0	47	0.0	-36.92	363.71	9.81	-27.11
CC1=NN(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300003093071	1	45	0.0	-47.35	358.41	7.13	-40.22
CCS(=O)(=O)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093072	1	42	0.0	-55.41	327.03	3.92	-51.49
CC1=NN(C2=CC=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)C=C1	REAL300003093073	0	50	0.0	-46.75	377.86	9.66	-37.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1	REAL300003093074	0	53	0.0	-39.18	387.54	5.76	-33.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1	REAL300003093075	0	60	0.0	-39.43	421.21	9.73	-29.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1	REAL300003093076	0	57	0.0	-59.61	414.24	8.51	-51.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1	REAL300003093077	0	60	0.0	-43.98	421.32	9.73	-34.25
COC1=CC=CC(C(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093078	0	50	0.0	-40.33	370.45	8.69	-31.64
CC1=CC=CC=C1C1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCOCC1	REAL300003093079	0	57	0.0	-38.38	384.42	8.97	-29.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCCN2C(=O)OC(C)(C)C)CC1	REAL300003093080	0	60	0.0	-41.50	430.84	9.16	-32.34
CC(C)CCOCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093081	0	49	0.0	-41.58	359.17	8.44	-33.14
CC1=NC([N+](=O)[O-])=CN1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093082	0	45	0.0	-58.67	356.18	9.43	-49.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCCCC2C)CC1	REAL300003093083	0	52	0.0	-38.14	360.85	9.74	-28.40
CCOC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003093084	0	50	0.0	-41.50	372.69	9.69	-31.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=NN2C2=CC=CC=C2Cl)CC1	REAL300003093085	1	46	0.0	-44.86	363.28	8.17	-36.69
CC(=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300003093086	0	50	0.0	-40.38	391.55	11.25	-29.13
CC1=CC=CC(F)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093087	0	43	0.0	-37.62	329.41	8.71	-28.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCS(C)(=O)=O)CC1	REAL300003093088	0	45	0.0	-66.87	352.30	4.37	-62.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3COCC3=C2)CC1	REAL300003093089	0	45	0.0	-40.56	333.53	7.18	-33.38
CC1=CC=CC=C1C1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCCC1	REAL300003093090	0	59	0.0	-37.04	392.72	11.30	-25.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3C=NN=C3)C=C2)CC1	REAL300003093091	0	46	0.0	-47.78	348.30	10.84	-36.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CN3C=C(Cl)C=N3)O2)CC1	REAL300003093092	1	47	0.0	-41.04	382.61	8.64	-32.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CSCN2C(=O)OC(C)(C)C)CC1	REAL300003093093	0	55	0.0	-43.61	406.00	8.72	-34.89
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=C(Cl)C=CC=C1Cl	REAL300003093094	0	46	0.0	-35.70	355.04	9.88	-25.82
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093095	1	50	0.0	-37.70	393.53	11.28	-26.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)CC1	REAL300003093096	0	62	0.0	-51.55	428.29	7.93	-43.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C2CCCCC2)CC1	REAL300003093097	0	56	0.0	-42.93	402.91	9.45	-33.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC([N+](=O)[O-])=CC3=C2OCCO3)CC1	REAL300003093098	1	48	0.0	-42.18	368.07	8.65	-33.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CN(C)C3=CC=CC=C23)CC1	REAL300003093099	0	53	0.0	-42.75	399.83	11.57	-31.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2CN(C(=O)OC(C)(C)C)C2)CC1	REAL300003093100	0	58	0.0	-66.93	436.10	8.07	-58.86
CCC(OC1=CC=CC=C1Cl)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093101	0	50	0.0	-61.51	379.74	10.30	-51.21
COC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(Cl)=C1	REAL300003093102	0	47	0.0	-42.53	367.44	8.70	-33.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C3CCCCC3=C2)CC1	REAL300003093103	0	54	0.0	-57.26	398.83	11.43	-45.83
CC(CSC1=CC=C(F)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093104	0	50	0.0	-40.26	386.36	10.65	-29.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC3=CC=CC(F)=C3)N=N2)CC1	REAL300003093105	1	49	0.0	-40.05	385.79	8.79	-31.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CNC3=CC=C([N+](=O)[O-])C=C23)CC1	REAL300003093106	0	49	0.0	-45.95	384.12	9.68	-36.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC23CCCC2=CC=CC=C23)CC1	REAL300003093107	0	54	0.0	-39.52	386.64	11.82	-27.70
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003093108	1	50	0.0	-36.78	392.12	11.26	-25.52
CC(C)CN1N=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C(F)F	REAL300003093109	1	52	0.0	-38.46	394.86	8.80	-29.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=NN(C3=CC=CC=C3)C=C2)CC1	REAL300003093110	0	50	0.0	-47.83	382.21	10.12	-37.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CC1	REAL300003093111	1	53	0.0	-56.05	391.43	4.95	-51.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=CC=C3)CC3CCC2C3)CC1	REAL300003093112	0	60	0.0	-42.94	409.20	12.08	-30.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CN(C)C3=CC=CC=C23)CC1	REAL300003093113	0	51	0.0	-45.28	387.75	11.23	-34.05
CCCN1N=C(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003093114	0	52	0.0	-53.98	394.71	8.64	-45.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)CC1	REAL300003093115	0	60	0.0	-40.38	431.98	7.95	-32.43
CC1=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1Br	REAL300003093116	0	49	0.0	-52.41	388.09	11.02	-41.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)C2=CC3=CC=CC=C3O2)CC1	REAL300003093117	0	49	0.0	-47.75	368.18	10.61	-37.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(F)C=C2OC(F)F)CC1	REAL300003093118	0	44	0.0	-41.74	341.02	8.54	-33.20
CC1=CC=C(OCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003093119	0	56	0.0	-56.25	416.95	10.63	-45.62
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093120	0	59	0.0	-36.22	421.21	8.69	-27.53
CCSC1=CC=C(Cl)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093121	0	47	0.0	-38.78	371.49	10.21	-28.57
CC(C)C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)N1CCCS1(=O)=O	REAL300003093122	0	54	0.0	-41.61	385.90	5.31	-36.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(Cl)C(Cl)=C3)CCC2)CC1	REAL300003093123	0	50	0.0	-35.90	390.36	11.07	-24.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)CC1	REAL300003093124	0	59	0.0	-58.32	418.06	6.65	-51.67
CC1=CC=C2NC=C(CCC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=C1	REAL300003093125	0	53	0.0	-42.69	398.76	10.52	-32.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)CC2=CC=CC(Cl)=C2)CC1	REAL300003093126	0	52	0.0	-38.16	382.55	10.54	-27.62
CCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300003093127	0	52	0.0	-40.97	399.42	11.08	-29.89
COC1=CC=C(C(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003093128	0	54	0.0	-43.96	395.58	8.49	-35.47
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC(C)=CC=C1C	REAL300003093129	0	56	0.0	-39.11	416.87	11.14	-27.97
CC(=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1OC(F)F	REAL300003093130	0	51	0.0	-40.80	391.51	9.87	-30.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=CC=C2OC2CCCC2)CC1	REAL300003093131	0	54	0.0	-37.92	410.04	11.40	-26.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CSC3=CC=CC=C23)CC1	REAL300003093132	0	52	0.0	-45.40	403.32	11.92	-33.48
COC1=CC=C(Br)C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093133	0	47	0.0	-41.12	371.15	8.77	-32.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=C(Cl)SC(Cl)=C2)CC1	REAL300003093134	0	46	0.0	-42.74	389.37	10.67	-32.07
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003093135	1	51	0.0	-46.85	392.28	4.91	-41.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCNC(=O)OC(C)(C)C)CC1	REAL300003093136	0	56	0.0	-55.58	415.18	6.58	-49.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC([N+](=O)[O-])=CN2)CC1	REAL300003093137	0	40	0.0	-45.13	313.94	7.01	-38.12
COC1=CC=C(Cl)C=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093138	0	47	0.0	-40.71	369.03	8.86	-31.85
CCCCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093139	0	52	0.0	-38.11	383.41	10.87	-27.24
CC(C)C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300003093140	0	52	0.0	-39.70	394.00	10.97	-28.73
CC1=CC=C(C2=NN(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=N2)C=C1	REAL300003093141	0	51	0.0	-49.58	397.12	8.62	-40.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=NC(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300003093142	0	48	0.0	-48.72	392.44	8.46	-40.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN(C(=O)OC(C)(C)C)C2)CC1	REAL300003093143	0	60	0.0	-37.38	427.26	9.02	-28.36
CC(=O)C1=C(C)OC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093144	0	51	0.0	-56.27	391.22	9.27	-47.00
CCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C21	REAL300003093145	0	50	0.0	-39.74	377.10	10.64	-29.10
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1CC(F)(F)F	REAL300003093146	0	50	0.0	-38.47	380.00	9.70	-28.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2SCC2=CC=CO2)CC1	REAL300003093147	0	51	0.0	-41.70	400.80	10.93	-30.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC([N+](=O)[O-])=CN2C)CC1	REAL300003093148	0	43	0.0	-42.25	331.74	8.11	-34.14
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC2=C1OC(C)C2	REAL300003093149	0	52	0.0	-57.36	386.60	7.78	-49.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=CN2C)CC1	REAL300003093150	0	41	0.0	-37.35	317.95	7.90	-29.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C#CC3=CC=CC=C3)C=C2)CC1	REAL300003093151	0	52	0.0	-40.12	406.12	13.06	-27.06
CC1=CC=C(NC2=CC=CC=C2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093152	0	55	0.0	-40.01	415.19	11.14	-28.87
CC1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1Cl	REAL300003093153	0	49	0.0	-52.11	384.05	10.93	-41.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC2C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300003093154	0	50	0.0	-42.17	382.02	11.22	-30.95
CC(C)C1CCC(C)CC1OCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093155	0	62	0.0	-40.83	432.45	11.28	-29.55
CCC(C)C1=CC=CC=C1OCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093156	0	56	0.0	-56.44	413.16	11.56	-44.88
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC([N+](=O)[O-])=C1	REAL300003093157	0	46	0.0	-57.96	358.00	7.87	-50.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CSC3=CC=CC=C32)CC1	REAL300003093158	0	45	0.0	-45.91	342.33	9.45	-36.46
CCC1=CC=C(C(C)CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093159	0	55	0.0	-39.22	401.81	11.67	-27.55
CCC(OC1=CC=CC=C1C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093160	0	53	0.0	-58.59	383.93	10.48	-48.11
CSCC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1F	REAL300003093161	0	47	0.0	-39.50	368.98	9.81	-29.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC1	REAL300003093162	0	59	0.0	-57.17	418.18	6.91	-50.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC1	REAL300003093163	0	57	0.0	-48.95	418.96	8.25	-40.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=CC(Cl)=C3)CCCC2)CC1	REAL300003093164	0	56	0.0	-57.86	406.41	11.59	-46.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=CC=C3)CCC2)CC1	REAL300003093165	0	53	0.0	-53.66	382.33	10.90	-42.76
CCC1=NOC(CC)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093166	0	51	0.0	-45.90	383.72	9.25	-36.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=CC=C3)CC2)CC1	REAL300003093167	0	50	0.0	-40.54	368.21	10.52	-30.02
COC1=CC=CC(OC)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093168	0	51	0.0	-41.81	380.40	7.72	-34.09
CC(C)CC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCC1	REAL300003093169	0	52	0.0	-38.94	355.39	9.10	-29.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2SC2=CC=CC=C2)CC1	REAL300003093170	0	51	0.0	-40.08	392.63	11.79	-28.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)OC(C)(C)C)O2)CC1	REAL300003093171	1	57	0.0	-40.47	429.33	6.90	-33.57
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300003093172	0	46	0.0	-43.53	357.75	9.90	-33.63
CCC(OC1CCCC(C)C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093173	0	59	0.0	-39.53	417.98	10.86	-28.67
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093174	0	50	0.0	-40.36	397.49	10.22	-30.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=NN(C3=CC=C(F)C=C3)C=C2)CC1	REAL300003093175	0	50	0.0	-47.38	388.63	10.18	-37.20
COC1=CC=C(C(C)CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093176	0	53	0.0	-41.12	388.40	9.51	-31.61
COC1=CC=C(CC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093177	0	53	0.0	-52.77	392.94	9.40	-43.37
COC1=CC=C(C(C)(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093178	0	53	0.0	-50.94	374.94	8.83	-42.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC(C)(C)C)C=C2)CC1	REAL300003093179	0	53	0.0	-37.75	379.05	9.08	-28.67
CCCC(O)(CCC)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093180	0	55	0.0	-53.61	388.25	7.93	-45.68
COC1=CC=CC(C(C)CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093181	0	53	0.0	-53.38	391.51	9.54	-43.84
COCCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCC1	REAL300003093182	0	53	0.0	-52.79	371.50	7.50	-45.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(N3C=CN=N3)=C2)CC1	REAL300003093183	0	46	0.0	-48.34	349.99	7.78	-40.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC23CCOCC3)CC1	REAL300003093184	0	48	0.0	-39.95	344.94	7.21	-32.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCSCC2)CC1	REAL300003093185	0	47	0.0	-41.71	343.78	8.93	-32.78
CC1=CC=C(CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003093186	0	49	0.0	-43.06	379.09	10.46	-32.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(O)C2=CC=CC(F)=C2)CC1	REAL300003093187	0	47	0.0	-56.56	361.70	7.62	-48.94
CCC(OC1=CC=CC(C)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093188	0	53	0.0	-45.24	382.36	10.42	-34.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3C=CN=N3)C=C2)CC1	REAL300003093189	0	46	0.0	-48.11	350.79	7.71	-40.40
COCCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCC1	REAL300003093190	0	50	0.0	-38.18	355.88	7.02	-31.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C(S(C)(=O)=O)C=C2)CC1	REAL300003093191	0	50	0.0	-53.60	393.69	6.43	-47.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(S(=O)(=O)N(C)C)=CN2)CC1	REAL300003093192	0	49	0.0	-44.80	381.47	4.18	-40.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=CC=C2N2C=NN=N2)CC1	REAL300003093193	0	45	0.0	-43.49	360.04	8.83	-34.66
CC(OC1=CC=C2CCCC2=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093194	0	54	0.0	-44.77	391.54	11.09	-33.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3NC4=C(CCCCC4)C3=C2)CC1	REAL300003093195	0	57	0.0	-38.27	407.99	10.86	-27.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(Cl)C(Cl)=CC=C3N2)CC1	REAL300003093196	0	44	0.0	-40.32	362.07	9.35	-30.97
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C(C)(C)C	REAL300003093197	0	52	0.0	-38.89	369.12	7.89	-31.00
CC(SC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093198	1	47	0.0	-41.16	364.23	10.08	-31.08
CNC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300003093199	0	47	0.0	-62.78	358.13	7.60	-55.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2CCCS2(=O)=O)CC1	REAL300003093200	0	45	0.0	-47.79	346.71	3.74	-44.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC(Br)=CS2)CC1	REAL300003093201	0	41	0.0	-39.89	344.62	9.17	-30.72
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C(S(=O)(=O)N(C)C)O1	REAL300003093202	1	51	0.0	-41.97	397.68	4.85	-37.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CC2)CC1	REAL300003093203	0	54	0.0	-39.77	398.27	6.90	-32.87
CC1=NN(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1Br	REAL300003093204	0	43	0.0	-42.88	348.23	7.00	-35.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1	REAL300003093205	0	63	0.0	-43.63	446.65	9.95	-33.68
CC1=NC(C2=CC=CC=C2)=NC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093206	0	51	0.0	-40.21	387.73	9.83	-30.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=C([N+](=O)[O-])C=N2)CC1	REAL300003093207	0	42	0.0	-53.18	334.51	7.04	-46.14
CC1=NN(C2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2)C=C1	REAL300003093208	0	50	0.0	-42.13	377.81	9.71	-32.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3CC3)N(C3=CC=CC=C3)N=C2)CC1	REAL300003093209	0	54	0.0	-38.97	403.02	10.81	-28.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=NN2C)CC1	REAL300003093210	0	44	0.0	-43.88	335.49	7.09	-36.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=C(Cl)C=C3)N=N2)CC1	REAL300003093211	1	46	0.0	-37.74	370.43	8.78	-28.96
COC1=CC=C2OCC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=C1	REAL300003093212	0	50	0.0	-40.49	379.41	7.88	-32.61
COC1=CC=C(N2N=NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2C)C=C1	REAL300003093213	1	53	0.0	-38.08	398.43	7.96	-30.12
CC1=CC=C2NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C(Cl)C2=C1	REAL300003093214	0	47	0.0	-39.95	374.12	9.14	-30.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Br)=CS2)CC1	REAL300003093215	1	37	0.0	-38.75	309.24	7.50	-31.25
CC(C)C1=NN(C)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093216	0	49	0.0	-42.44	362.27	7.57	-34.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3C=CN=C3)C([N+](=O)[O-])=C2)CC1	REAL300003093217	0	49	0.0	-49.13	381.94	10.71	-38.42
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)NC(=O)OC(C)(C)C	REAL300003093218	0	56	0.0	-46.95	409.90	7.04	-39.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)C2)CC1	REAL300003093219	0	57	0.0	-53.99	413.68	8.13	-45.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=C(Br)N2)CC1	REAL300003093220	0	38	0.0	-37.71	321.96	7.23	-30.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=NN(C3=CC=CC=C3)N=C2)CC1	REAL300003093221	0	49	0.0	-49.51	377.80	8.78	-40.73
CC(C)C1=NC=NC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093222	1	47	0.0	-38.68	349.58	7.88	-30.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN(CC2CC2)C(=O)OC(C)(C)C)CC1	REAL300003093223	0	60	0.0	-46.29	442.95	10.54	-35.75
CC(C)N(CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C(=O)OC(C)(C)C	REAL300003093224	0	62	0.0	-53.87	448.63	10.01	-43.86
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093225	0	47	0.0	-42.66	359.71	7.64	-35.02
CC1=NN(CC(C)C)C(Cl)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093226	1	52	0.0	-37.16	405.91	9.29	-27.87
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093227	0	54	0.0	-45.16	414.13	6.54	-38.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=C(Cl)C=C3)S2)CC1	REAL300003093228	1	47	0.0	-36.58	381.52	11.04	-25.54
CC1=CC=CC=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093229	0	47	0.0	-40.24	350.47	9.98	-30.26
COC1=CC(OC)=C(OC)C=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093230	0	56	0.0	-45.62	419.19	8.05	-37.57
CC1=NN(C2=CC=CC=C2)N=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093231	1	49	0.0	-38.08	373.72	8.73	-29.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3CCCC3=C2)CC1	REAL300003093232	0	47	0.0	-37.39	343.30	9.78	-27.61
CC(C)OCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093233	0	53	0.0	-36.85	394.78	9.37	-27.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3CC3)=NN2C2=CC=CC=C2)CC1	REAL300003093234	0	54	0.0	-41.23	405.78	11.02	-30.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSCC2=CC=CS2)CC1	REAL300003093235	1	44	0.0	-44.23	358.73	9.48	-34.75
COC1=CC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2C=C1	REAL300003093236	0	50	0.0	-38.89	373.16	9.47	-29.42
CCOC1=CC=C(SCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093237	1	51	0.0	-44.31	393.93	9.71	-34.60
COC1=CC=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1OC	REAL300003093238	0	54	0.0	-42.69	404.53	9.05	-33.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(C)(C)C)C([N+](=O)[O-])=C2)CC1	REAL300003093239	0	54	0.0	-43.88	386.89	10.28	-33.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3OCCCOC3=C2)CC1	REAL300003093240	0	49	0.0	-41.25	361.88	7.90	-33.35
CCSC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093241	0	47	0.0	-38.36	360.01	9.79	-28.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)CC1	REAL300003093242	1	45	0.0	-41.09	350.72	8.16	-32.93
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1F	REAL300003093243	0	44	0.0	-39.34	333.16	7.28	-32.06
COC1=CC=C(SCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093244	1	48	0.0	-44.52	372.07	8.78	-35.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3SCCCS3)C=C2)CC1	REAL300003093245	0	52	0.0	-55.53	406.71	11.52	-44.01
CC1=CC=C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(Br)=C1	REAL300003093246	0	47	0.0	-59.14	377.93	10.26	-48.88
CCC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093247	0	50	0.0	-40.19	375.83	10.90	-29.29
CCOC1=CC=C(OC(C)(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093248	0	57	0.0	-44.21	402.09	9.28	-34.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1	REAL300003093249	0	60	0.0	-46.98	425.47	8.98	-38.00
CCN1C(C)=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003093250	0	50	0.0	-37.54	365.76	9.46	-28.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(NC(=O)OC(C)(C)C)=C2)CC1	REAL300003093251	0	57	0.0	-43.90	418.62	8.11	-35.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C(Cl)C3=CC=CC=C23)CC1	REAL300003093252	0	50	0.0	-45.13	392.36	11.61	-33.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NC(=O)OC(C)(C)C)C=C2)CC1	REAL300003093253	0	57	0.0	-40.30	420.25	8.16	-32.14
COC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300003093254	0	49	0.0	-54.76	379.82	9.72	-45.04
CCCCCS(=O)(=O)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093255	1	51	0.0	-55.50	391.52	6.28	-49.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CCN(C(=O)OC(C)(C)C)CC2)CC1	REAL300003093256	0	63	0.0	-46.13	431.25	8.90	-37.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CCOC3)S2)CC1	REAL300003093257	1	45	0.0	-38.41	343.82	7.15	-31.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=CC=C2Cl)CC1	REAL300003093258	0	49	0.0	-38.75	348.05	9.93	-28.82
COC1=CC=CC=C1CC(C)=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093259	0	54	0.0	-41.55	400.48	10.45	-31.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC2C2=CC=CC3=CC=CC=C32)CC1	REAL300003093260	0	53	0.0	-42.08	386.05	12.32	-29.76
CC1=C2NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=CC=C1	REAL300003093261	0	47	0.0	-37.33	351.67	9.02	-28.31
CC1=CC(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(C)=C1Cl	REAL300003093262	0	50	0.0	-45.67	387.16	10.58	-35.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300003093263	0	48	0.0	-57.62	376.79	10.50	-47.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3=CC=CC=C3)O2)CC1	REAL300003093264	1	48	0.0	-36.55	373.49	10.13	-26.42
COC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1F	REAL300003093265	0	44	0.0	-45.39	330.66	7.25	-38.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2COCCN2C(=O)OC(C)(C)C)CC1	REAL300003093266	0	58	0.0	-39.46	413.27	7.27	-32.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CCCN2C(=O)OC(C)(C)C)CC1	REAL300003093267	0	60	0.0	-44.29	418.63	9.36	-34.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3SC=CC3=C2)CC1	REAL300003093268	0	43	0.0	-53.35	337.21	9.26	-44.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2CN2C=NC=N2)CC1	REAL300003093269	0	49	0.0	-38.04	372.89	11.07	-26.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)CC2=CC=CC=C2)CC1	REAL300003093270	0	52	0.0	-52.55	369.52	10.07	-42.48
CC1=CC=C(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCOCC2)C=C1	REAL300003093271	0	57	0.0	-38.73	397.08	9.39	-29.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2CCOCC2)CC1	REAL300003093272	0	48	0.0	-52.90	354.24	7.48	-45.42
CCC(SC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093273	1	50	0.0	-43.24	378.94	10.52	-32.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CC=C3)=CC=C2Cl)CC1	REAL300003093274	0	50	0.0	-38.57	389.62	11.87	-26.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCS(=O)(=O)CC2)CC1	REAL300003093275	0	46	0.0	-51.95	341.16	4.30	-47.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)OC2CCCC2)CC1	REAL300003093276	0	50	0.0	-54.47	359.37	8.76	-45.71
CC1=CC(F)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1F	REAL300003093277	0	43	0.0	-39.45	329.24	8.66	-30.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2C(C)(C)C)CC1	REAL300003093278	0	52	0.0	-35.59	361.25	10.68	-24.91
COC1=CSC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093279	1	41	0.0	-40.43	317.93	6.14	-34.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)OC2CCCCCC2)CC1	REAL300003093280	0	56	0.0	-54.30	386.28	9.76	-44.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2CCCCC2)CC1	REAL300003093281	0	50	0.0	-38.84	360.13	9.84	-29.00
CC(C)N1C=NN=C1SCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093282	1	49	0.0	-43.14	382.77	10.05	-33.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNN=C2C2=CC=C(F)C=C2)CC1	REAL300003093283	0	47	0.0	-42.91	358.63	7.93	-34.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCCN2C(=O)C2=CC=CC=C2)CC1	REAL300003093284	0	57	0.0	-44.85	405.84	11.16	-33.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CN=C3C=C2)CC1	REAL300003093285	0	45	0.0	-41.60	340.32	8.32	-33.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(C3=CN=CC=N3)CC2)CC1	REAL300003093286	0	53	0.0	-43.55	385.74	6.83	-36.72
CC(C)C(=O)NC1=NC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003093287	0	52	0.0	-46.40	403.71	7.59	-38.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(OCC3=CC=CN=C3)=C2)CC1	REAL300003093288	0	53	0.0	-58.26	406.41	9.39	-48.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCOCC3)C=C2)CC1	REAL300003093289	0	53	0.0	-38.43	381.61	6.73	-31.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2N2CCOCC2)CC1	REAL300003093290	0	53	0.0	-38.75	383.03	7.69	-31.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC3=NC=CN23)CC1	REAL300003093291	0	43	0.0	-65.24	344.16	8.60	-56.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3NC=NC3=CC(F)=C2)CC1	REAL300003093292	0	43	0.0	-41.32	332.45	7.68	-33.64
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300003093293	0	55	0.0	-66.61	402.99	9.44	-57.17
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300003093293	1	55	0.0	-61.99	396.81	9.24	-52.75
COC(=O)NC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093294	0	48	0.0	-45.23	363.74	6.09	-39.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CC#N)C=C2)CC1	REAL300003093295	0	44	0.0	-42.14	339.84	9.09	-33.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CCC3)C(S(N)(=O)=O)=C2)CC1	REAL300003093296	0	52	0.0	-44.74	396.04	4.71	-40.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)C2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300003093297	1	49	0.0	-39.95	378.52	9.14	-30.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3CCCC3)C=C2)CC1	REAL300003093298	0	50	0.0	-36.20	364.74	9.00	-27.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2CN2C=CC=N2)CC1	REAL300003093299	0	50	0.0	-36.36	377.51	9.61	-26.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(C)(C)C)N=CS2)CC1	REAL300003093300	1	48	0.0	-39.23	357.14	8.40	-30.83
CC1=NC(C2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2)=NN1	REAL300003093301	0	49	0.0	-42.32	374.60	8.62	-33.70
COCCCS(=O)(=O)NCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093302	0	51	0.0	-65.86	400.30	2.23	-63.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC(C3CCCC3)=NO2)CC1	REAL300003093303	0	54	0.0	-42.33	402.39	7.66	-34.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NNC3=CC=CC=C32)CC1	REAL300003093304	0	43	0.0	-39.46	325.34	7.17	-32.29
CNS(=O)(=O)C1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093305	0	48	0.0	-45.26	373.55	4.04	-41.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Cl)N=C3C=CC=CN32)CC1	REAL300003093306	0	43	0.0	-40.48	347.45	8.86	-31.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=NC=CN=C3C=C2)CC1	REAL300003093307	0	44	0.0	-42.31	333.58	6.32	-35.99
COC1=CC=C(O)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093308	0	45	0.0	-40.30	335.56	5.45	-34.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(NC(N)=O)=C2)CC1	REAL300003093309	0	46	0.0	-47.59	345.84	3.95	-43.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CN2C2=CC=CC=C2)CC1	REAL300003093310	0	47	0.0	-39.57	352.75	10.36	-29.21
CCS(=O)C1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093311	0	48	0.0	-44.76	368.12	7.41	-37.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3OCC(=O)NC3=C2)CC1	REAL300003093312	0	46	0.0	-42.34	348.46	5.10	-37.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(O)C=C2)CC1	REAL300003093313	0	44	0.0	-56.53	338.20	6.17	-50.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(CS(C)=O)=C2)CC1	REAL300003093314	0	48	0.0	-46.71	372.62	7.12	-39.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(N3C=CC=C3)C=CS2)CC1	REAL300003093315	0	45	0.0	-37.12	345.75	9.83	-27.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(N3C=CC=C3)N(C)N=C2)CC1	REAL300003093316	0	48	0.0	-41.69	365.47	9.32	-32.37
COC1=NC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093317	1	43	0.0	-40.22	326.01	5.33	-34.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CNN=C3C=C2)CC1	REAL300003093318	0	43	0.0	-61.19	326.55	6.60	-54.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC3=C2CCCCC3)CC1	REAL300003093319	1	49	0.0	-35.50	349.28	8.95	-26.55
CCCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003093320	0	46	0.0	-38.83	344.26	7.30	-31.53
COC1=NC(C)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093321	0	46	0.0	-42.44	344.69	6.25	-36.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CNC(=O)C(C)(C)C)C=C2)CC1	REAL300003093322	0	59	0.0	-42.84	438.51	8.98	-33.86
CC(C)C(=O)N(C)CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093323	0	59	0.0	-43.06	433.89	10.33	-32.73
CC(C)CC(=O)NC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1F	REAL300003093324	0	56	0.0	-40.54	416.64	9.08	-31.46
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1N1CCNC1=O	REAL300003093325	0	54	0.0	-46.32	408.11	6.35	-39.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3CCCO3)S2)CC1	REAL300003093326	1	47	0.0	-42.13	362.71	6.01	-36.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSCC(F)(F)F)CC1	REAL300003093327	1	40	0.0	-58.25	330.61	7.83	-50.42
COCC1=NC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003093328	1	46	0.0	-40.43	361.77	5.66	-34.77
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1CC(C)C	REAL300003093329	0	52	0.0	-38.64	381.05	8.57	-30.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CNS(C)(=O)=O)O2)CC1	REAL300003093330	1	48	0.0	-46.64	381.36	3.27	-43.37
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C2C=NN(C)C2=N1	REAL300003093331	0	48	0.0	-42.58	361.73	7.57	-35.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC3=CC=CC=C3C=C2)CC1	REAL300003093332	0	55	0.0	-44.51	413.09	12.83	-31.68
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)CC1=CC=C(Cl)C=C1	REAL300003093333	0	52	0.0	-54.17	399.46	11.53	-42.64
CC(C)NC(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093334	0	53	0.0	-42.11	396.13	7.85	-34.26
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)C=C1Br	REAL300003093335	0	46	0.0	-37.38	357.16	9.79	-27.59
CC1=CSC2=NC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C(=O)N12	REAL300003093336	0	45	0.0	-41.79	351.09	7.65	-34.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(Br)C(F)=C2)CC1	REAL300003093337	0	43	0.0	-46.29	351.01	9.65	-36.64
COC1=CC2=C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=CC=C2C=C1	REAL300003093338	0	53	0.0	-57.37	399.25	10.42	-46.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2OC2=CC=CN=C2)CC1	REAL300003093339	0	50	0.0	-41.44	383.58	9.49	-31.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNC(=O)C2CCCCC2)CC1	REAL300003093340	0	56	0.0	-48.79	406.32	7.69	-41.10
CC(C)CN1N=CC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CN=C21	REAL300003093341	0	54	0.0	-40.56	401.62	8.99	-31.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(OC3=CC=CC=C3)=C2)CC1	REAL300003093342	0	50	0.0	-41.64	385.21	8.31	-33.33
CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093343	0	49	0.0	-39.15	379.92	9.37	-29.78
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093344	0	49	0.0	-40.00	374.89	8.54	-31.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)C2=CC3=C(CCC3)S2)CC1	REAL300003093345	0	51	0.0	-41.81	396.44	7.76	-34.05
CNC(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003093346	0	46	0.0	-41.55	351.36	4.46	-37.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(=O)N(C)C)C=C2)CC1	REAL300003093347	0	50	0.0	-44.22	366.55	7.50	-36.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C(=O)N(C)C)=C2)CC1	REAL300003093348	0	50	0.0	-43.05	373.47	7.83	-35.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C3=CN=CC=N3)=N2)CC1	REAL300003093349	1	44	0.0	-39.04	354.24	5.81	-33.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN(C)C2=O)CC1	REAL300003093350	0	43	0.0	-45.13	328.92	6.91	-38.22
CC1=CC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C(C3CC3)N=C2C(C)=C1	REAL300003093351	0	58	0.0	-39.51	430.06	11.85	-27.66
CNS(=O)(=O)C1=CSC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093352	1	45	0.0	-48.19	365.35	2.93	-45.26
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093353	1	52	0.0	-39.75	399.91	10.94	-28.81
COC1=CC=C(C2=CN=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)C=C1	REAL300003093354	0	53	0.0	-39.96	396.63	8.75	-31.21
CC1=CC=CC(C2=CN=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)=C1	REAL300003093355	0	52	0.0	-38.68	388.31	10.11	-28.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3=C2C=CS3)CC1	REAL300003093356	0	47	0.0	-42.72	352.85	9.58	-33.14
CC1=CC=C(C2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)S2)O1	REAL300003093357	1	47	0.0	-38.78	373.78	9.66	-29.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(=O)N(C)C2C2=CC=C(F)C=C2)CC1	REAL300003093358	0	54	0.0	-48.10	406.00	9.62	-38.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC(OCC3=CC=CN=C3)=C2)CC1	REAL300003093359	0	56	0.0	-44.54	430.40	10.45	-34.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)C2=CC=C(Cl)S2)CC1	REAL300003093360	0	43	0.0	-40.73	346.77	9.15	-31.58
CC1=CC=C(CC2=NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CS2)C=C1	REAL300003093361	1	52	0.0	-36.75	408.26	10.96	-25.79
CCC(C)OC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=N1	REAL300003093362	0	52	0.0	-39.29	387.59	7.30	-31.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(CC3=CC=CC(F)=C3)=N2)CC1	REAL300003093363	1	49	0.0	-40.10	393.03	10.34	-29.76
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1CCCC1	REAL300003093364	0	53	0.0	-39.68	387.72	9.18	-30.50
CCC(C)N1N=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C1CC1	REAL300003093365	0	56	0.0	-38.45	405.35	9.76	-28.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCOC2CCOCC2)CC1	REAL300003093366	0	51	0.0	-39.50	372.66	6.31	-33.19
CCOC1=CC(Cl)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093367	0	47	0.0	-40.07	364.09	9.63	-30.44
C=CCOC1=CC(OC)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093368	0	52	0.0	-41.45	389.66	9.01	-32.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC=CC=C2OCC(F)(F)F)CC1	REAL300003093369	1	46	0.0	-40.10	362.26	9.05	-31.05
C=CCOC1=CC=CN=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093370	1	47	0.0	-37.22	355.59	9.17	-28.05
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1=CC=C(C)C=C1	REAL300003093371	0	53	0.0	-36.66	397.74	10.79	-25.87
COC1=CC=C(N2N=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2C)C=C1	REAL300003093372	0	54	0.0	-38.21	407.73	9.47	-28.74
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C(C)C	REAL300003093373	0	49	0.0	-38.45	362.16	7.77	-30.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC=C2Br)CC1	REAL300003093374	0	39	0.0	-40.50	309.17	6.75	-33.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC3=CC=CC=C3C=C2)CC1	REAL300003093375	0	45	0.0	-36.92	339.83	9.14	-27.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C3=CC=CC=C3OC3=CC=CC=C32)CC1	REAL300003093376	0	52	0.0	-45.98	387.68	10.96	-35.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(OCC3=CC=CC=C3)=C2)CC1	REAL300003093377	0	53	0.0	-58.10	409.39	8.61	-49.49
COC1=CC=C(C(=O)NCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093378	0	51	0.0	-55.81	390.93	6.08	-49.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(=O)NC3=CC=CC=C32)CC1	REAL300003093379	0	46	0.0	-41.15	353.48	7.09	-34.06
COC1=CC=C(C(=O)NCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003093380	0	55	0.0	-45.11	417.04	5.95	-39.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300003093381	0	59	0.0	-54.21	437.64	9.10	-45.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3CCCC3=NC3=CC=CC=C32)CC1	REAL300003093382	0	52	0.0	-42.52	388.84	10.26	-32.26
CCOC1=CC=CC=C1C(=O)NCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093383	0	54	0.0	-44.04	407.60	8.21	-35.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)C2=CC=CS2)CC1	REAL300003093384	0	44	0.0	-41.63	350.57	5.74	-35.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)C2=CC=CC(F)=C2)CC1	REAL300003093385	0	47	0.0	-43.22	364.84	6.81	-36.41
COC1=CC=CC(C(=O)NCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093386	0	51	0.0	-43.89	387.90	6.04	-37.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)C2=CC=C3OCOC3=C2)CC1	REAL300003093387	0	50	0.0	-44.61	384.44	5.41	-39.20
CCOC1=CC=C(C(=O)NCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093388	0	54	0.0	-55.54	412.79	7.02	-48.52
CC1=CC(C(=O)NCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300003093389	0	52	0.0	-45.19	402.72	7.91	-37.28
CC1=CC(Br)=CC=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093390	0	46	0.0	-42.23	362.10	10.10	-32.13
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C1=CC=CC=N1	REAL300003093391	0	53	0.0	-42.14	396.41	9.55	-32.59
CC1=CN(CC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=NO2)N=C1	REAL300003093392	1	49	0.0	-41.77	381.26	8.31	-33.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C3(C)NC(=O)NC3=O)=C2)CC1	REAL300003093393	0	52	0.0	-42.62	393.32	4.91	-37.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3=CC=CN=C3)C=C2)CC1	REAL300003093394	0	50	0.0	-40.04	382.84	9.03	-31.01
CC(=O)NC1=CC=C(F)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093395	0	47	0.0	-43.61	362.89	6.96	-36.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN=C2SC(F)(F)F)CC1	REAL300003093396	0	43	0.0	-41.78	352.50	8.20	-33.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC(C)(C)C2=CC=CC=C2)CC1	REAL300003093397	0	55	0.0	-53.59	396.11	11.17	-42.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=CO3)NC2=O)CC1	REAL300003093398	0	47	0.0	-45.48	367.93	6.63	-38.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3CC3)N(C)N=C2)CC1	REAL300003093399	0	47	0.0	-37.85	345.99	7.54	-30.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(N3CCOCC3)C=C2)CC1	REAL300003093400	0	57	0.0	-40.84	416.63	8.26	-32.58
CC1=CC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C(C3CC3)N=C2C=C1	REAL300003093401	0	55	0.0	-39.74	410.03	11.02	-28.72
COC1=NC=NC(OC)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093402	1	46	0.0	-39.73	357.42	3.20	-36.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(F)=CC3=CC=CN=C32)CC1	REAL300003093403	0	45	0.0	-43.34	342.81	8.64	-34.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C23)CC1	REAL300003093404	0	47	0.0	-43.73	365.25	9.12	-34.61
CC1=CC=C(OCC2=CC=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)C=N1	REAL300003093405	0	56	0.0	-42.57	424.74	9.98	-32.59
CC(=CC1=CC=CC=C1Cl)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093406	0	47	0.0	-41.87	357.30	10.15	-31.72
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1Cl	REAL300003093407	0	44	0.0	-38.70	343.07	7.75	-30.95
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093408	0	47	0.0	-52.82	371.42	10.40	-42.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NN2C2CCCC2)CC1	REAL300003093409	0	50	0.0	-38.24	360.24	8.61	-29.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=NN2C)CC1	REAL300003093410	0	46	0.0	-43.58	346.47	7.35	-36.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C=CNC3=N2)CC1	REAL300003093411	0	43	0.0	-35.75	323.92	8.13	-27.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=CC=C3)C=N2)CC1	REAL300003093412	1	46	0.0	-41.71	352.42	10.54	-31.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC=NC=C2Cl)CC1	REAL300003093413	1	38	0.0	-35.53	301.16	7.42	-28.11
CC1=NC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=CC=C2C=C1	REAL300003093414	0	48	0.0	-47.24	357.98	9.16	-38.08
CC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)S1	REAL300003093415	1	42	0.0	-36.02	324.13	7.29	-28.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2COC3=CC=C(F)C=C3C2)CC1	REAL300003093416	0	48	0.0	-39.91	356.19	8.59	-31.32
CC1=CC(Cl)=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093417	0	43	0.0	-50.24	338.46	9.07	-41.17
CC1=NC(CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003093418	0	48	0.0	-45.37	373.22	8.29	-37.08
CNS(=O)(=O)C1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)O1	REAL300003093419	1	48	0.0	-42.51	378.68	3.03	-39.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C3CCCO3)=N2)CC1	REAL300003093420	1	47	0.0	-37.64	362.94	6.74	-30.90
CCOCCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCC1	REAL300003093421	0	53	0.0	-38.09	377.74	7.99	-30.10
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CC=C1C1=CC=CC=N1	REAL300003093422	0	52	0.0	-40.20	383.50	10.99	-29.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CSCCS2)CC1	REAL300003093423	0	45	0.0	-43.16	346.52	8.82	-34.34
CCC1=NNC(=O)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1CC	REAL300003093424	0	51	0.0	-40.77	379.14	6.35	-34.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CCC(F)(F)F)C=C2)CC1	REAL300003093425	0	49	0.0	-40.28	380.05	10.47	-29.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C3NC=CC3=C2)CC1	REAL300003093426	0	50	0.0	-54.03	379.95	9.87	-44.16
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NC2=CC=CC=C21	REAL300003093427	0	48	0.0	-39.29	355.69	8.76	-30.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C([N+](=O)[O-])C=NN2C)CC1	REAL300003093428	1	42	0.0	-49.39	333.58	6.46	-42.93
COC1=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1F	REAL300003093429	0	48	0.0	-57.24	371.80	8.86	-48.38
COC1=C(F)C=CC(F)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093430	1	44	0.0	-37.57	348.76	7.70	-29.87
CC1=CC(Cl)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003093431	0	46	0.0	-37.97	354.49	9.68	-28.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3C=CSC3=C2)CC1	REAL300003093432	0	42	0.0	-38.68	329.19	7.35	-31.33
COC1=CC=C(C2=NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C(C)O2)C=C1	REAL300003093433	1	53	0.0	-37.18	405.72	7.78	-29.40
CC1=C(C)N2C(=NC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=O)S1	REAL300003093434	0	48	0.0	-40.87	371.08	8.40	-32.47
CC(C)OC1=CN=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093435	0	49	0.0	-38.40	362.57	7.00	-31.40
COC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003093436	0	47	0.0	-41.61	350.84	8.74	-32.87
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC(C2CC2)=N1	REAL300003093437	1	46	0.0	-37.81	347.37	6.14	-31.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2CCCC2)CC1	REAL300003093438	0	52	0.0	-37.53	348.63	8.83	-28.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CCCCCC2)CC1	REAL300003093439	0	52	0.0	-37.02	339.14	9.01	-28.01
CC1=NC(CC(C)C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003093440	1	51	0.0	-39.06	389.09	8.79	-30.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCCCCC2)CC1	REAL300003093441	0	52	0.0	-37.24	341.66	9.03	-28.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(Br)=C2Cl)CC1	REAL300003093442	0	40	0.0	-41.36	330.21	8.92	-32.44
CNC(=O)C1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093443	0	47	0.0	-46.60	353.90	6.16	-40.44
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC(C2=CC=CC=C2)=N1	REAL300003093444	1	49	0.0	-38.70	374.75	7.50	-31.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(NC(=O)C(C)(C)C)=CC=C2F)CC1	REAL300003093445	0	56	0.0	-41.76	422.34	9.01	-32.75
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(Br)C=C1	REAL300003093446	0	46	0.0	-54.22	361.24	9.93	-44.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3CC3)=NC3=CC=C(F)C=C32)CC1	REAL300003093447	0	52	0.0	-39.57	395.07	10.43	-29.14
C=CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003093448	0	50	0.0	-51.30	376.48	10.84	-40.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3CCCCC3C2)CC1	REAL300003093449	0	56	0.0	-38.76	383.33	10.56	-28.20
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300003093450	0	49	0.0	-39.01	374.65	10.07	-28.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC(C(C)(C)C)CC2)CC1	REAL300003093451	0	61	0.0	-50.45	415.81	11.29	-39.16
CC(CCCC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093452	0	55	0.0	-40.67	402.43	11.59	-29.08
CCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300003093453	0	49	0.0	-54.96	365.91	10.00	-44.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CN=CC(F)=C2)CC1	REAL300003093454	0	45	0.0	-53.74	349.84	8.11	-45.63
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093455	0	49	0.0	-40.49	376.35	10.59	-29.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3NC(=O)N(C)C3=C2)CC1	REAL300003093456	0	47	0.0	-44.91	357.07	6.81	-38.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC(C)(C)CC2)CC1	REAL300003093457	0	55	0.0	-38.64	378.09	10.12	-28.52
CC(C)CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(=O)N1	REAL300003093458	0	52	0.0	-55.85	392.95	8.08	-47.77
CC(C)C1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003093459	1	45	0.0	-37.66	347.43	7.12	-30.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(=O)NC3CC3)C=C2)CC1	REAL300003093460	0	51	0.0	-42.03	385.61	7.91	-34.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(NS(C)(=O)=O)C(C)(C)C)CC1	REAL300003093461	0	53	0.0	-60.93	388.53	3.79	-57.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CC=N3)=CC=C2Cl)CC1	REAL300003093462	0	49	0.0	-39.64	386.96	10.37	-29.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(OC3CCC3)=C2)CC1	REAL300003093463	0	50	0.0	-39.49	372.91	7.14	-32.35
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1N1C=NN=N1	REAL300003093464	0	49	0.0	-48.46	373.09	7.60	-40.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(=O)NCC(F)(F)F)CC1	REAL300003093465	0	43	0.0	-61.84	344.06	6.36	-55.48
CC(C)OC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003093466	0	49	0.0	-35.09	363.81	7.63	-27.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC3=C(C=CC4=C3C=CC=C4)O2)CC1	REAL300003093467	0	52	0.0	-48.21	398.66	11.77	-36.44
CC1=CC(N2CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2=O)=CC=C1F	REAL300003093468	0	54	0.0	-46.21	402.90	9.83	-36.38
CCOC1=CC=CC=C1C(F)(F)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093469	1	50	0.0	-37.64	379.74	9.25	-28.39
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093470	0	52	0.0	-48.21	405.37	9.01	-39.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C3=COC=C3)=C2)CC1	REAL300003093471	0	47	0.0	-39.54	356.40	9.47	-30.07
CCN1N=CC=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093472	0	47	0.0	-43.50	357.28	7.96	-35.54
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093473	0	57	0.0	-37.53	428.96	11.90	-25.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=NC(C4CC4)=NO3)C=C2)CC1	REAL300003093474	0	52	0.0	-40.99	401.31	8.77	-32.22
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(SC2=CC=CC=C2)=C1	REAL300003093475	0	54	0.0	-44.05	417.44	12.55	-31.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(OC3CCOC3)=C2)CC1	REAL300003093476	0	51	0.0	-41.34	381.45	5.18	-36.16
CC1=CC=C(SC2CCCC2)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093477	0	57	0.0	-38.02	420.40	12.19	-25.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3N=S=NC3=C2)CC1	REAL300003093478	0	41	0.0	-39.86	321.78	6.21	-33.65
CCC1=NN(C)C(Cl)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093479	1	46	0.0	-38.05	365.80	7.60	-30.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3)C=C2)CC1	REAL300003093480	0	54	0.0	-46.54	409.39	9.90	-36.64
COC1=CC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C(C3CC3)N=C2C=C1	REAL300003093481	0	56	0.0	-40.74	418.12	9.67	-31.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=CC=C3F)C(=O)C=C2)CC1	REAL300003093482	0	49	0.0	-43.08	385.89	9.11	-33.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(OC3CCCCC3)=C2)CC1	REAL300003093483	0	56	0.0	-37.30	408.44	8.42	-28.88
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093484	0	51	0.0	-45.00	391.28	10.72	-34.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3CCCC3)N=C2)CC1	REAL300003093485	0	53	0.0	-39.43	392.20	7.81	-31.62
CC(C)COC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1Cl	REAL300003093486	0	52	0.0	-38.79	403.58	7.50	-31.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CN=C2C2=CC=CC=C2)CC1	REAL300003093487	0	48	0.0	-42.82	366.22	9.29	-33.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(C3=CC=C4OCCC4=C3)=C2)CC1	REAL300003093488	0	54	0.0	-40.85	402.82	9.40	-31.45
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093489	0	54	0.0	-62.52	424.83	6.05	-56.47
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1=CC=CC(Cl)=C1	REAL300003093490	0	50	0.0	-37.10	394.80	10.70	-26.40
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1=CC(C)=CC(C)=C1	REAL300003093491	0	56	0.0	-36.64	419.33	11.46	-25.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C2=CC=CS2)CC1	REAL300003093492	0	47	0.0	-42.38	373.81	8.41	-33.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C(=C2)CCC(=O)N3C)CC1	REAL300003093493	0	51	0.0	-42.84	374.64	8.80	-34.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(CC3=CC=CC=C3)S2)CC1	REAL300003093494	1	49	0.0	-37.10	384.91	9.53	-27.57
CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093495	0	55	0.0	-50.99	400.92	6.98	-44.01
CCS(=O)(=O)C1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093496	1	49	0.0	-45.52	379.11	6.30	-39.22
COC1=C2C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CNC2=CC=C1	REAL300003093497	0	51	0.0	-43.04	384.01	8.39	-34.65
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1=CC=CC=C1Cl	REAL300003093498	0	50	0.0	-37.28	391.51	10.78	-26.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2COC3=CC=C(Br)C=C32)CC1	REAL300003093499	0	45	0.0	-56.93	356.90	8.41	-48.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(F)C=C3F)CCC2)CC1	REAL300003093500	0	50	0.0	-55.51	372.59	10.14	-45.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(F)C=C3F)CCCC2)CC1	REAL300003093501	0	53	0.0	-38.10	369.81	10.85	-27.25
CCS(=O)(=O)C1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093502	0	55	0.0	-47.54	427.63	8.21	-39.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC3=CC(Cl)=CC=C3C=C2)CC1	REAL300003093503	0	45	0.0	-34.98	356.37	9.76	-25.22
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093505	0	53	0.0	-45.60	391.95	10.94	-34.66
COCCOC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=N1	REAL300003093506	0	50	0.0	-41.15	380.31	4.84	-36.31
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093507	1	49	0.0	-39.99	382.94	10.38	-29.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(OCC3CC3)C(Cl)=C2)CC1	REAL300003093508	0	50	0.0	-38.97	393.66	7.59	-31.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN(C)S(=O)(=O)C2=CC=CN=C2)CC1	REAL300003093509	0	50	0.0	-52.52	393.74	4.87	-47.65
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NC2=CC=CC=C12	REAL300003093510	0	48	0.0	-36.10	357.84	9.72	-26.38
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1CC1=CC=CC=C1	REAL300003093512	0	56	0.0	-38.31	418.55	10.62	-27.69
CC1=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(=O)NC(C2=CC=CN=C2)=N1	REAL300003093513	0	54	0.0	-51.59	412.42	7.59	-44.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=C2F)NC(=O)CC3)CC1	REAL300003093514	0	48	0.0	-43.61	364.81	7.20	-36.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=CC3=CC=CN=C32)CC1	REAL300003093515	0	45	0.0	-43.10	353.11	9.07	-34.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H](C)NC(=O)C2CCCCC2)CC1	REAL300003093517	0	56	0.0	-38.55	400.20	7.56	-30.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC3=CC=CC=C32)CC1	REAL300003093518	0	45	0.0	-39.33	338.95	8.38	-30.95
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(F)C=C1F	REAL300003093519	0	49	0.0	-55.24	373.45	10.34	-44.90
CC(C)CN1N=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C1CC1	REAL300003093520	0	56	0.0	-38.64	401.19	9.48	-29.16
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1CC(C)C	REAL300003093521	0	55	0.0	-37.37	403.23	9.33	-28.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=CC(Cl)=C3F)N=N2)CC1	REAL300003093522	1	46	0.0	-38.03	373.09	8.68	-29.35
CC1=CC(F)=CC=C1N1C=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003093523	0	50	0.0	-36.36	384.58	10.72	-25.64
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)O2)=C1	REAL300003093524	1	56	0.0	-36.14	420.30	11.98	-24.16
CCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1S(C)(=O)=O	REAL300003093525	1	52	0.0	-46.12	386.03	6.61	-39.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Cl)C=N2)CC1	REAL300003093526	0	39	0.0	-35.10	310.40	7.54	-27.56
CC1=CC(F)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093527	0	43	0.0	-38.05	324.13	8.68	-29.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=C2OCC(=O)N3)CC1	REAL300003093528	0	46	0.0	-44.87	346.67	6.13	-38.74
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093529	0	55	0.0	-63.43	427.01	8.06	-55.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Br)C=CO2)CC1	REAL300003093530	1	37	0.0	-40.35	299.41	6.86	-33.49
CC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=N1	REAL300003093531	0	44	0.0	-39.28	330.11	6.50	-32.78
CC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1Cl	REAL300003093532	0	43	0.0	-40.20	329.08	8.95	-31.25
CC(=O)NC1=CC=C(Cl)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093533	0	47	0.0	-42.42	371.50	7.38	-35.04
CC(C)[C@H]1CC[C@H](C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003093534	0	55	0.0	-37.77	379.51	10.09	-27.68
COC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003093535	0	43	0.0	-36.97	323.50	5.87	-31.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC=CC=C2C(F)(F)F)CC1	REAL300003093536	1	42	0.0	-38.59	323.69	8.10	-30.49
CC1=CC(C)=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093537	0	52	0.0	-38.89	388.26	11.11	-27.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3CCCCN3N=C2)CC1	REAL300003093538	0	47	0.0	-38.74	342.12	7.32	-31.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCSCC2)CC1	REAL300003093539	0	44	0.0	-41.32	321.92	7.97	-33.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C([N+](=O)[O-])C=C2Cl)CC1	REAL300003093540	0	45	0.0	-44.80	366.49	10.09	-34.71
CCOC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1Cl	REAL300003093541	0	46	0.0	-39.12	361.98	6.01	-33.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(OC3=CN=CC=N3)=C2)CC1	REAL300003093542	0	49	0.0	-57.26	383.32	6.46	-50.80
CCOC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=N1	REAL300003093543	0	46	0.0	-57.02	349.48	5.56	-51.46
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C(C2=CC=CC=C2F)O1	REAL300003093544	1	49	0.0	-37.12	379.38	8.84	-28.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C(=O)N3CCCC3)=N2)CC1	REAL300003093545	0	53	0.0	-41.09	389.97	8.05	-33.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(=O)N2C)CC1	REAL300003093546	0	43	0.0	-43.54	326.59	6.57	-36.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(N3C=CC=N3)=CC=N2)CC1	REAL300003093547	0	46	0.0	-44.44	352.80	8.22	-36.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(N3C=CC=N3)=N2)CC1	REAL300003093548	0	46	0.0	-38.49	354.49	9.25	-29.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC(=O)C2=CC=CS2)CC1	REAL300003093549	0	45	0.0	-39.78	356.59	8.71	-31.07
CC1=CC=C(C)C(C(=O)CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093550	0	54	0.0	-39.25	402.80	10.98	-28.27
CCC1=CC=C(C(=O)CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093551	0	54	0.0	-51.97	411.69	11.10	-40.87
CC1=CC(C(=O)CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)S1	REAL300003093552	0	51	0.0	-39.39	395.91	10.20	-29.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC(=O)C2=CC=C3CCCC3=C2)CC1	REAL300003093553	0	55	0.0	-40.37	411.24	11.52	-28.85
COC1=CC=C(OC)C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093554	0	51	0.0	-41.80	381.78	7.63	-34.17
CC1=NC(C2=CC=CC=C2)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003093555	1	49	0.0	-40.17	387.41	9.53	-30.64
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003093556	0	46	0.0	-54.73	340.03	9.32	-45.41
COC1=CC=C(C(=O)CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093557	0	52	0.0	-53.47	398.10	8.97	-44.50
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1Cl	REAL300003093558	0	43	0.0	-36.81	333.00	9.00	-27.81
CC1=CC(Cl)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093559	0	43	0.0	-37.57	334.45	9.12	-28.45
COC1=CC=C(C(=O)CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1F	REAL300003093560	0	52	0.0	-42.56	401.30	9.00	-33.56
COC1=C(C)C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003093561	0	50	0.0	-38.59	370.68	8.79	-29.80
CC(C)OC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093562	0	54	0.0	-41.74	402.13	10.32	-31.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=CC=C3[N+](=O)[O-])C=C2)CC1	REAL300003093563	0	49	0.0	-45.65	384.71	10.82	-34.83
COC1=CC=C(C(=O)CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093564	0	55	0.0	-63.61	419.60	9.75	-53.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Br)=C3OCOC3=C2)CC1	REAL300003093565	0	43	0.0	-54.62	347.69	7.19	-47.43
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC([N+](=O)[O-])=C1	REAL300003093566	0	45	0.0	-40.57	346.59	9.23	-31.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=C2CCC3)CC1	REAL300003093567	0	47	0.0	-37.84	346.08	9.86	-27.98
CC(C)OCCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093568	0	49	0.0	-54.23	364.47	7.59	-46.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H](C)C2=CC=CC=C2)CC1	REAL300003093569	0	46	0.0	-41.20	338.74	9.39	-31.81
CO[C@@H](C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003093570	0	47	0.0	-42.15	349.56	8.77	-33.38
CCN(CC)C(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093571	0	56	0.0	-43.31	413.47	9.72	-33.59
CC1=CC=C(Cl)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093572	0	43	0.0	-36.76	334.54	9.10	-27.66
CC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C(C)C)=N1	REAL300003093573	0	50	0.0	-38.36	371.24	7.87	-30.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C)C=C2[N+](=O)[O-])CC1	REAL300003093574	1	42	0.0	-45.99	326.27	7.96	-38.03
CC1=CC=CC(C)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093575	0	49	0.0	-42.60	358.16	10.02	-32.58
CCCCCCC(CC)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093576	0	57	0.0	-39.95	407.17	10.91	-29.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3CCC3)C=C2)CC1	REAL300003093577	0	50	0.0	-37.81	363.04	10.50	-27.31
CCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(OC)C=C1	REAL300003093578	0	53	0.0	-54.91	388.99	9.24	-45.67
CC1=CC=C(CC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093579	0	52	0.0	-50.96	384.86	10.78	-40.18
CC(C)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003093580	1	46	0.0	-37.15	351.99	9.11	-28.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)C2CCOCC2)CC1	REAL300003093581	0	50	0.0	-40.94	350.67	7.05	-33.89
COCCOC1=CC=C(Cl)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093582	0	51	0.0	-40.21	398.08	8.87	-31.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2CCCOC2)CC1	REAL300003093583	0	50	0.0	-39.59	357.28	7.59	-32.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC23CCC2=CC=CC=C23)CC1	REAL300003093584	0	51	0.0	-39.73	374.92	11.41	-28.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC23CCS(=O)(=O)CC3)CC1	REAL300003093585	0	50	0.0	-46.81	376.04	5.75	-41.06
CCSC1=CC(Cl)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093586	0	47	0.0	-38.03	371.75	10.20	-27.83
CCC1=CC=C(C(C)(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093587	0	55	0.0	-48.64	388.35	10.97	-37.67
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(OC(C)C)=C1	REAL300003093588	0	54	0.0	-40.83	397.97	8.46	-32.37
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(OCC2CC2)=C1	REAL300003093589	0	55	0.0	-38.86	410.83	9.80	-29.06
CCC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(OC)C=C1	REAL300003093590	0	56	0.0	-41.26	408.72	10.15	-31.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(S(C)(=O)=O)=C2)CC1	REAL300003093591	1	43	0.0	-43.15	351.02	4.43	-38.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC=N2)CC1	REAL300003093592	0	45	0.0	-51.65	342.75	8.06	-43.59
CC1=NN(C)C2=NC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C12	REAL300003093593	0	48	0.0	-41.55	363.99	7.66	-33.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3C=NC=N3)N=C2)CC1	REAL300003093594	0	45	0.0	-41.57	347.90	9.77	-31.80
CC1=NC(COC2=CC=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)=NO1	REAL300003093595	0	52	0.0	-45.75	399.80	6.68	-39.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(F)(F)F)C=N2)CC1	REAL300003093596	0	42	0.0	-35.88	332.52	8.02	-27.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN=C2N2C=CC=N2)CC1	REAL300003093597	0	46	0.0	-47.32	351.47	8.71	-38.61
CC1=NN(C)C(=O)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003093598	0	48	0.0	-41.20	360.56	6.46	-34.74
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(=O)NC(C(C)(C)C)=N1	REAL300003093599	0	54	0.0	-57.73	405.62	7.33	-50.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C(OC3=CC=CC=N3)C=C2)CC1	REAL300003093600	0	54	0.0	-49.36	419.59	9.28	-40.08
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093601	1	45	0.0	-43.28	345.89	10.13	-33.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC=CC3=CC=CC=C32)CC1	REAL300003093602	0	45	0.0	-40.45	343.39	8.45	-32.00
CCC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093603	0	46	0.0	-36.92	337.86	9.28	-27.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(F)C(F)=C2)CC1	REAL300003093604	0	43	0.0	-47.61	336.70	9.10	-38.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=C(F)C=CC=C2F)CC1	REAL300003093605	0	43	0.0	-52.64	337.81	9.07	-43.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(C3=CC=CC(Cl)=C3)=C2)CC1	REAL300003093606	1	46	0.0	-36.38	371.64	10.07	-26.31
CC1=NOC(C2=CC=CC=C2)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093607	0	49	0.0	-39.91	376.70	9.79	-30.12
CC1=CC(C)=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1	REAL300003093608	0	52	0.0	-42.62	379.57	10.66	-31.96
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1F	REAL300003093609	0	44	0.0	-39.74	333.27	7.26	-32.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2OC(F)(F)F)CC1	REAL300003093610	0	44	0.0	-39.14	345.49	8.02	-31.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3=CC=CC=C3)N(C)N=C2)CC1	REAL300003093611	0	50	0.0	-40.67	378.60	8.98	-31.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Cl)C(F)=C2)CC1	REAL300003093612	0	40	0.0	-37.98	320.11	8.46	-29.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC3=CC=C(Cl)C=C23)CC1	REAL300003093613	0	46	0.0	-41.50	377.25	10.83	-30.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC=C2Cl)CC1	REAL300003093614	0	39	0.0	-40.80	305.29	6.64	-34.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN=C2C(F)(F)F)CC1	REAL300003093615	1	42	0.0	-48.42	329.63	7.24	-41.18
CC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1Br	REAL300003093616	0	43	0.0	-39.80	332.40	9.05	-30.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC(F)=C2F)CC1	REAL300003093617	0	43	0.0	-46.51	335.74	9.08	-37.43
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(Br)=C1	REAL300003093618	0	43	0.0	-37.98	340.85	9.23	-28.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(F)C=C2F)CC1	REAL300003093619	0	43	0.0	-44.23	335.87	9.08	-35.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300003093620	0	44	0.0	-39.37	342.96	7.69	-31.68
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093621	1	44	0.0	-40.08	340.96	7.37	-32.71
CC(=O)C1=CNC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093622	0	43	0.0	-54.64	328.12	6.83	-47.81
CC1=NC(C2=CC=CS2)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093623	0	49	0.0	-38.71	381.89	9.50	-29.21
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093624	0	52	0.0	-39.73	389.07	10.43	-29.30
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C2C=NN(C(C)C)C2=N1	REAL300003093625	0	54	0.0	-40.80	404.07	9.31	-31.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3CCC4=C3C2=CC=C4)CC1	REAL300003093626	0	50	0.0	-38.31	367.14	11.30	-27.01
COC1=CC2=NC(C)=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2C=C1	REAL300003093627	0	52	0.0	-41.86	388.32	8.21	-33.65
CC1=NOC2=NC(C(C)C)=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C12	REAL300003093628	0	53	0.0	-48.92	395.32	6.71	-42.21
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C2C=NN(C(C)C)C2=N1	REAL300003093629	0	54	0.0	-40.72	407.57	9.25	-31.47
CC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C12	REAL300003093630	0	51	0.0	-45.81	395.49	6.69	-39.12
COC1=CC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=C2C=C1	REAL300003093631	0	49	0.0	-37.68	368.88	8.44	-29.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(C3=CC=C(Cl)C=C3)=C2)CC1	REAL300003093632	1	46	0.0	-36.44	371.57	10.08	-26.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC3=CC=CN=C32)CC1	REAL300003093633	0	48	0.0	-45.25	364.16	9.47	-35.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=CC4=C3C=CC=C4)N2)CC1	REAL300003093634	0	50	0.0	-41.82	376.21	10.69	-31.13
COC1=CC=C(SC)C(OC)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093635	1	52	0.0	-40.91	404.02	7.93	-32.98
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093636	0	52	0.0	-50.12	406.47	7.37	-42.75
CC1=CC(C)=C(Br)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093637	0	46	0.0	-37.67	359.02	9.79	-27.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(NC(=O)C3=CC=CN=C3)=C2)CC1	REAL300003093638	0	53	0.0	-61.13	407.79	8.19	-52.94
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003093639	0	52	0.0	-40.93	392.89	9.87	-31.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OCC3=CC=CC=C3)N=C2)CC1	REAL300003093640	0	53	0.0	-54.27	409.23	8.54	-45.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN=C2OCC(F)(F)F)CC1	REAL300003093641	1	46	0.0	-42.10	368.52	6.48	-35.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3=CC=CC=C3)N=C2)CC1	REAL300003093642	0	50	0.0	-41.08	385.10	8.30	-32.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC=C2Br)CC1	REAL300003093643	0	44	0.0	-59.22	356.52	9.59	-49.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=CC=C3)C3=C2N=CC=C3)CC1	REAL300003093644	0	51	0.0	-41.34	384.21	10.62	-30.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Cl)C3=CC=CN=C23)CC1	REAL300003093645	0	45	0.0	-41.09	355.80	8.93	-32.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N(C)C3=CC=CC=C3)N=C2)CC1	REAL300003093646	0	54	0.0	-40.55	407.14	10.36	-30.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(=O)COC2=CC=CC=C2)CC1	REAL300003093647	0	51	0.0	-57.96	395.07	7.35	-50.61
CC(NC(=O)C1=CC=CO1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093648	0	47	0.0	-55.94	362.55	5.35	-50.59
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1=CC=CC=C1C	REAL300003093649	0	57	0.0	-38.40	423.33	12.82	-25.58
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC2=C1C=CC1=C2C=CC=C1	REAL300003093650	1	52	0.0	-38.40	391.64	11.58	-26.82
CC1=CC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C(C)N=C2C=C1	REAL300003093651	0	51	0.0	-40.34	380.85	9.57	-30.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNS(=O)(=O)C2=CC=CC=C2)CC1	REAL300003093652	0	51	0.0	-60.24	403.33	5.37	-54.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CCC(=O)N2C2=CC=CC=C2S3)CC1	REAL300003093653	1	50	0.0	-53.76	383.08	9.11	-44.65
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC1CCCC1	REAL300003093654	0	58	0.0	-40.09	420.76	10.02	-30.07
CCCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=CC=C1	REAL300003093655	0	56	0.0	-39.66	415.18	10.93	-28.73
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC2=C1C(=O)CC(C)(C)C2	REAL300003093656	0	56	0.0	-45.03	404.65	9.36	-35.67
CC(C)N1N=CC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C(C3CC3)N=C21	REAL300003093657	0	58	0.0	-40.59	432.36	10.59	-30.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2OC3=CC=CC=C3NC2=O)CC1	REAL300003093658	0	49	0.0	-44.39	372.43	7.02	-37.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3CC3)=NC3=CC=CC=C32)CC1	REAL300003093659	0	52	0.0	-40.16	388.85	10.34	-29.82
CC(C)C1=NC2=CC=CC=C2C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093660	0	54	0.0	-39.87	399.21	10.15	-29.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCCS2(=O)=O)CC1	REAL300003093661	1	46	0.0	-66.15	344.19	5.24	-60.91
CC(=O)C1=C(C)NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C(C)C	REAL300003093662	0	55	0.0	-45.30	406.69	9.20	-36.10
CC1=NOC(C)=C1C(C)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093663	0	51	0.0	-43.42	370.70	8.82	-34.60
CC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300003093664	0	49	0.0	-39.15	381.46	7.34	-31.81
COC1=C(Br)SC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093665	1	41	0.0	-36.86	338.47	6.92	-29.94
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093666	0	56	0.0	-64.45	426.26	10.65	-53.80
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093667	1	50	0.0	-37.25	382.74	10.76	-26.49
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1CCOCC1	REAL300003093668	0	54	0.0	-40.57	393.52	7.16	-33.41
CCC(CC)N1N=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003093669	0	55	0.0	-37.17	401.68	9.89	-27.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC2C2=CC=CC=C2Cl)CC1	REAL300003093670	0	47	0.0	-39.11	357.76	10.63	-28.48
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093671	1	50	0.0	-38.21	382.55	10.45	-27.76
CCOC1=C(Cl)C=CC=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093672	0	50	0.0	-42.33	391.72	9.86	-32.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CC(C3=CC=CC=C3)C2)CC1	REAL300003093673	0	53	0.0	-41.69	387.76	11.50	-30.19
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093674	1	52	0.0	-48.13	398.46	6.82	-41.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C3CCOC3)=C2)CC1	REAL300003093675	0	51	0.0	-40.20	372.29	8.48	-31.72
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003093676	1	52	0.0	-42.88	396.35	6.64	-36.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3CCCN3N=C2)CC1	REAL300003093677	0	44	0.0	-40.53	327.59	6.59	-33.94
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC2=CC(F)=CC=C12	REAL300003093678	1	46	0.0	-35.21	355.96	9.99	-25.22
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093679	0	54	0.0	-44.78	411.81	5.47	-39.31
COC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCCC1	REAL300003093680	0	50	0.0	-34.55	339.90	7.15	-27.40
COC1=CC2=CC=C([C@H](C)C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2C=C1	REAL300003093681	0	56	0.0	-41.37	413.61	10.83	-30.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H](C)C2=CC=CC=C2)CC1	REAL300003093682	0	46	0.0	-40.84	341.06	9.39	-31.45
CC[C@H]1CC[C@H](C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003093683	0	52	0.0	-39.17	364.01	9.64	-29.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C(F)F)=C2)CC1	REAL300003093684	0	43	0.0	-42.23	331.13	8.81	-33.42
COC1=CC=C(F)C=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093685	0	47	0.0	-41.48	358.70	8.41	-33.07
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC2=CC=C(C)C=C21	REAL300003093686	0	50	0.0	-38.94	377.85	9.23	-29.71
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C(C(C)C)O1	REAL300003093687	0	49	0.0	-36.64	362.75	9.04	-27.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C(F)(F)F)=N2)CC1	REAL300003093688	1	39	0.0	-36.05	324.47	6.86	-29.19
CC(CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003093689	0	52	0.0	-53.75	384.36	10.97	-42.78
CC1=CC=C2C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CSC2=C1	REAL300003093690	0	46	0.0	-37.37	356.50	10.02	-27.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C(F)(F)F)N=C2)CC1	REAL300003093691	1	41	0.0	-41.54	328.09	6.22	-35.32
CCC1=CC=CC=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093692	0	49	0.0	-40.70	359.68	10.12	-30.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)(F)F)SC=N2)CC1	REAL300003093693	1	39	0.0	-39.92	325.34	6.18	-33.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2=CC=CC=C2)C2CC2)CC1	REAL300003093694	0	50	0.0	-41.06	365.96	10.62	-30.44
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=C(F)C=CC=C1F	REAL300003093695	0	46	0.0	-37.99	343.18	9.29	-28.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CNC3=CC=C(Cl)C=C23)CC1	REAL300003093696	0	47	0.0	-42.19	372.68	9.57	-32.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3CC3)=NO2)CC1	REAL300003093697	1	43	0.0	-37.27	327.62	7.68	-29.59
CC(CC1=CC=CC=C1Cl)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093698	0	49	0.0	-37.26	375.07	10.52	-26.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(Cl)S2)CC1	REAL300003093699	0	40	0.0	-42.70	331.42	8.68	-34.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=CC=C3F)CC2)CC1	REAL300003093700	0	50	0.0	-41.77	376.42	10.68	-31.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2CCOCC2)CC1	REAL300003093701	0	53	0.0	-52.72	381.99	8.39	-44.33
COC1=CC=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1F	REAL300003093702	0	50	0.0	-44.73	380.24	9.13	-35.60
CCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCCC1	REAL300003093703	0	52	0.0	-38.11	344.27	8.83	-29.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC(C)(C)C2)CC1	REAL300003093704	0	52	0.0	-37.85	356.53	9.18	-28.67
CC1=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(C)=C1	REAL300003093705	0	50	0.0	-52.37	378.92	10.81	-41.56
CCOC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCC1	REAL300003093706	0	50	0.0	-35.24	350.74	7.65	-27.59
CC(C)C1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CO1	REAL300003093707	1	46	0.0	-37.38	340.16	8.18	-29.20
CC(C)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1Cl	REAL300003093708	0	49	0.0	-36.47	371.35	10.23	-26.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCCCC2(C)C)CC1	REAL300003093709	0	55	0.0	-39.74	370.64	9.88	-29.86
COCC1=CC=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093710	0	50	0.0	-42.09	379.36	8.68	-33.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C=CCCC3=C2)CC1	REAL300003093711	0	48	0.0	-38.45	352.66	10.26	-28.19
CSC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1F	REAL300003093712	0	44	0.0	-39.32	343.51	8.95	-30.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C)(C)C(F)(F)F)CC1	REAL300003093713	0	45	0.0	-37.70	332.18	8.12	-29.58
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093714	0	53	0.0	-58.84	394.04	11.53	-47.31
COC1=CC=C(CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(OC)=C1	REAL300003093715	0	57	0.0	-44.63	424.78	9.23	-35.40
COC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=C(F)C=C1	REAL300003093716	0	48	0.0	-40.00	366.44	7.73	-32.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=C(C(C)(C)C)C=C3)O2)CC1	REAL300003093717	1	59	0.0	-36.03	436.27	12.40	-23.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(S(C)(=O)=O)CCC2)CC1	REAL300003093718	1	46	0.0	-52.60	330.61	4.30	-48.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC1	REAL300003093719	0	51	0.0	-42.66	392.06	8.59	-34.07
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NC(C(F)(F)F)=N1	REAL300003093720	1	44	0.0	-36.67	351.06	7.79	-28.88
CC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1Br	REAL300003093721	0	46	0.0	-42.39	363.49	10.17	-32.22
COC1=CC=C(F)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1OC	REAL300003093722	1	48	0.0	-39.45	372.23	7.50	-31.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003093723	0	52	0.0	-43.83	406.04	11.59	-32.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC(F)=CC=C2F)CC1	REAL300003093724	0	49	0.0	-42.85	378.84	10.66	-32.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2COC2CCOCC2)CC1	REAL300003093725	0	58	0.0	-38.19	421.45	9.04	-29.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(C(F)(F)F)C=C3)CC2)CC1	REAL300003093726	0	50	0.0	-41.03	386.97	10.83	-30.20
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(OCCC(C)C)=C1	REAL300003093727	0	60	0.0	-40.98	437.32	10.53	-30.45
CCCOC1=CC=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093728	0	53	0.0	-41.90	397.15	9.98	-31.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC(OCC(F)(F)F)=C2)CC1	REAL300003093729	0	50	0.0	-43.05	395.23	9.65	-33.40
CC(C)CC1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093730	0	58	0.0	-39.64	426.67	12.48	-27.16
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(OCC(C)C)=C1	REAL300003093731	0	57	0.0	-40.90	418.36	9.91	-30.99
CCCN1C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC2=CC=CC=C21	REAL300003093732	0	53	0.0	-37.36	390.17	11.11	-26.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(S(=O)(=O)N(C)C)=CN2C)CC1	REAL300003093733	0	52	0.0	-42.69	398.81	5.31	-37.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC=C3C=C2OC(F)F)CC1	REAL300003093734	0	50	0.0	-40.78	381.12	10.75	-30.03
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300003093735	0	49	0.0	-53.45	372.99	8.50	-44.95
CCCOC1=CC(OC)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093736	0	54	0.0	-41.17	398.26	9.23	-31.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(COC3=CC=CC=C3F)=C2)CC1	REAL300003093737	1	50	0.0	-42.24	393.07	9.31	-32.93
COC1=CC=C(CC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003093738	0	57	0.0	-46.38	418.28	9.27	-37.11
CCCCS(=O)(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093739	1	55	0.0	-45.88	422.69	7.94	-37.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=C(Cl)C=C2F)CC1	REAL300003093740	0	49	0.0	-42.53	363.77	9.79	-32.74
COC1=CC(Cl)=C(Cl)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093741	0	44	0.0	-39.09	361.50	8.65	-30.44
CC1=CC=CC(OC2=CC=CC=C2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093742	0	54	0.0	-39.92	409.42	12.21	-27.71
CCC(C)(C)C1CCC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003093743	0	64	0.0	-50.37	430.04	11.78	-38.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=CC=C3Cl)CC2)CC1	REAL300003093744	0	50	0.0	-40.82	381.42	10.93	-29.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC=C2S(C)(=O)=O)CC1	REAL300003093745	0	49	0.0	-49.17	372.38	6.76	-42.41
COC1=CC=C(OC)C(C2CC2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093746	0	55	0.0	-42.48	401.58	8.83	-33.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=CC(F)=C3)CCC2)CC1	REAL300003093747	0	53	0.0	-42.20	386.05	10.91	-31.29
CCC1=CC=C2OC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=C1	REAL300003093748	0	49	0.0	-40.01	369.81	9.84	-30.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2CCC(F)(F)F)CC1	REAL300003093749	0	49	0.0	-39.30	377.43	10.44	-28.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(F)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300003093750	0	46	0.0	-41.12	365.50	9.98	-31.14
CC(C)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300003093751	0	51	0.0	-43.77	383.85	10.42	-33.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)COCC2=CC=CC=C2)CC1	REAL300003093752	0	56	0.0	-52.43	410.06	9.82	-42.61
CC1=C(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300003093753	0	53	0.0	-39.32	403.28	11.31	-28.01
CC1=CC2=C(C=C1C)C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)CO2	REAL300003093754	0	51	0.0	-55.81	374.87	9.07	-46.74
CC(C)C1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC=C1	REAL300003093755	1	46	0.0	-37.39	339.27	8.25	-29.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F)CC1	REAL300003093756	0	49	0.0	-50.97	389.13	10.02	-40.95
CC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093757	1	45	0.0	-48.86	347.94	9.59	-39.27
CC(C)C1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NO1	REAL300003093758	1	45	0.0	-35.44	339.14	8.06	-27.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(F)C(Cl)=C2)CC1	REAL300003093759	0	40	0.0	-37.91	320.12	8.45	-29.46
COC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300003093760	1	46	0.0	-49.63	354.57	8.57	-41.06
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1Br	REAL300003093761	0	43	0.0	-36.78	337.03	9.09	-27.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(F)C=C2Cl)CC1	REAL300003093762	0	43	0.0	-43.01	344.35	9.48	-33.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300003093763	0	47	0.0	-44.82	370.10	8.78	-36.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC(F)=CC=C2Br)CC1	REAL300003093764	0	43	0.0	-40.63	348.08	9.55	-31.08
CC1=C(Cl)C=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093765	0	43	0.0	-37.21	331.21	9.02	-28.19
COC1=CC=C2OCC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2=C1	REAL300003093766	0	52	0.0	-40.59	379.30	7.81	-32.78
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(C)=C1F	REAL300003093767	0	46	0.0	-38.94	344.50	9.20	-29.74
CCC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003093768	0	47	0.0	-50.35	361.69	9.27	-41.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)CC1	REAL300003093769	0	43	0.0	-53.20	355.76	9.40	-43.80
CCC(CC1=CC=CC=C1C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093770	0	55	0.0	-39.43	392.01	11.07	-28.36
CC(=O)NC1=CC=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093771	0	50	0.0	-48.51	379.59	7.83	-40.68
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C(Br)O1	REAL300003093772	1	40	0.0	-37.43	320.85	7.51	-29.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC(F)C2)CC1	REAL300003093773	0	46	0.0	-51.79	330.02	8.30	-43.49
C=CCCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=N1	REAL300003093774	1	46	0.0	-37.50	353.39	7.06	-30.44
C=CCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCOCC1	REAL300003093775	0	51	0.0	-40.37	351.25	7.07	-33.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)CC1	REAL300003093776	0	53	0.0	-36.15	373.00	9.85	-26.30
CC1=C(Cl)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C	REAL300003093777	1	43	0.0	-40.06	336.37	7.30	-32.76
CC1=C(F)C=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093778	0	43	0.0	-37.86	322.51	8.63	-29.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(C)(C)C)C=N2)CC1	REAL300003093780	0	51	0.0	-36.10	370.04	9.29	-26.81
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093781	0	48	0.0	-42.31	361.24	9.74	-32.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=NN(C)C3=CC=CC=C32)CC1	REAL300003093782	0	49	0.0	-45.10	373.99	8.86	-36.24
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1N1C=CC=N1	REAL300003093783	0	50	0.0	-41.67	376.54	10.06	-31.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OCC3=CC=NC=C3)C=C2)CC1	REAL300003093784	0	53	0.0	-41.16	403.64	9.44	-31.72
CC1=C(Br)C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003093785	1	40	0.0	-35.77	327.88	8.23	-27.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(OC3=CC=CC=C3)CC2)CC1	REAL300003093786	0	48	0.0	-37.79	358.40	9.19	-28.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=C(F)C=CC=C3F)CCC2)CC1	REAL300003093787	0	50	0.0	-39.20	361.03	10.77	-28.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC3=CN=CC=C3C=C2)CC1	REAL300003093788	0	44	0.0	-37.95	335.05	7.41	-30.54
CC1=C2OC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=CC=C1	REAL300003093789	0	46	0.0	-40.25	349.91	9.12	-31.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(N3C=NN=C3)C=C2)CC1	REAL300003093790	0	49	0.0	-62.61	378.10	11.99	-50.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC(OC(F)F)=C2)CC1	REAL300003093791	0	50	0.0	-54.85	387.84	9.41	-45.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC(C3=C(F)C=CC=C3F)=N2)CC1	REAL300003093792	1	46	0.0	-38.83	366.07	8.07	-30.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3CCCC3=N2)CC1	REAL300003093793	0	44	0.0	-39.04	325.82	8.38	-30.66
CC1=CSC(CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003093794	0	48	0.0	-44.60	373.56	8.28	-36.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC3=CC=C(F)C=C23)CC1	REAL300003093795	0	43	0.0	-42.36	335.93	8.53	-33.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3CC(C)CCN3N=C2)CC1	REAL300003093796	0	50	0.0	-38.89	362.19	7.89	-31.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC(Cl)=C3S2)CC1	REAL300003093797	1	43	0.0	-36.05	350.20	9.77	-26.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=NN=C2C2=CSC=C2)CC1	REAL300003093798	0	45	0.0	-53.68	358.00	6.85	-46.83
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1C1=CC=C(F)C(F)=C1	REAL300003093799	1	49	0.0	-39.59	382.09	8.81	-30.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=NC(C3CC3)=NN2C)CC1	REAL300003093800	0	49	0.0	-50.93	373.58	8.43	-42.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=CC=NC=C32)CC1	REAL300003093801	0	45	0.0	-40.24	338.41	8.42	-31.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1	REAL300003093802	0	51	0.0	-41.53	375.13	8.22	-33.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CCC3=CC=CC=C32)CC1	REAL300003093803	0	50	0.0	-42.05	355.54	9.97	-32.08
CC1=CC=C(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCC2)C=C1	REAL300003093804	0	53	0.0	-36.70	379.76	10.80	-25.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3F)CCC2)CC1	REAL300003093805	0	50	0.0	-50.67	358.66	10.44	-40.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=CC3=CC=C(F)C=C32)CC1	REAL300003093806	0	47	0.0	-44.51	363.71	10.44	-34.07
CC1=NC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C(Cl)C=C2C=C1	REAL300003093807	0	48	0.0	-39.70	377.94	9.65	-30.05
CSC1=CC=C(CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093808	0	53	0.0	-55.49	410.30	11.64	-43.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCCC2C2CC2)CC1	REAL300003093809	0	53	0.0	-37.54	370.18	10.22	-27.32
C=CCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=N1	REAL300003093810	1	43	0.0	-37.87	331.88	6.30	-31.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=CC(Br)=CC=C32)CC1	REAL300003093811	0	47	0.0	-54.77	370.79	10.56	-44.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C3OCCCC3=C2)CC1	REAL300003093812	0	51	0.0	-43.00	377.75	9.61	-33.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2COCCN2CC(F)(F)F)CC1	REAL300003093813	0	49	0.0	-43.08	364.45	4.86	-38.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C(C)(C)C)C=N2)CC1	REAL300003093814	1	48	0.0	-41.26	357.18	9.11	-32.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=C3C=CC=CN3N=C2)CC1	REAL300003093815	0	46	0.0	-47.51	351.78	8.79	-38.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN3CCOCC3=C2)CC1	REAL300003093816	1	45	0.0	-39.27	335.17	5.59	-33.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=NC=NC=C3C2)CC1	REAL300003093817	0	48	0.0	-42.36	353.55	8.50	-33.86
CCCC1=CC=C(CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093818	0	58	0.0	-53.50	434.47	12.83	-40.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=CC=C3)N=C2)CC1	REAL300003093819	0	49	0.0	-39.20	369.28	9.68	-29.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC(CC(F)(F)F)=C2)CC1	REAL300003093820	0	49	0.0	-42.07	385.26	10.73	-31.34
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1N1CCOCC1	REAL300003093821	0	56	0.0	-38.72	397.22	7.66	-31.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3CCC3)N=N2)CC1	REAL300003093822	1	46	0.0	-37.16	341.06	6.76	-30.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2(C)CC2(F)Cl)CC1	REAL300003093823	0	43	0.0	-51.34	337.52	8.53	-42.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1	REAL300003093824	0	52	0.0	-38.99	373.44	9.88	-29.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(S(N)(=O)=O)C=C2)CC1	REAL300003093825	0	45	0.0	-45.07	351.76	2.87	-42.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(S(N)(=O)=O)O2)CC1	REAL300003093826	1	42	0.0	-45.26	337.53	1.26	-44.00
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C	REAL300003093827	1	44	0.0	-39.35	325.21	4.65	-34.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2(C)CCCCC2)CC1	REAL300003093828	0	52	0.0	-37.33	351.78	9.49	-27.84
CC1=CC=CC(C2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N2C)=C1	REAL300003093829	0	54	0.0	-38.85	394.62	11.23	-27.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=CC=CC=C3C2)CC1	REAL300003093830	0	50	0.0	-39.05	360.65	10.41	-28.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COCCC2=CC=CC(F)=C2)CC1	REAL300003093831	0	50	0.0	-56.31	389.57	10.28	-46.03
CC(COCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003093832	0	53	0.0	-55.30	399.97	10.74	-44.56
COCCN1C=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003093833	0	47	0.0	-37.66	356.93	6.23	-31.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3=C(O)C=CC=C32)CC1	REAL300003093834	0	51	0.0	-43.72	370.12	7.67	-36.05
CCC1CCCCC1OCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093835	0	56	0.0	-41.11	396.57	10.40	-30.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(CC3=CC=CC=C3F)S2)CC1	REAL300003093836	1	49	0.0	-36.77	390.76	9.56	-27.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2CCCCCC2)CC1	REAL300003093837	0	53	0.0	-38.83	372.04	10.26	-28.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCS(=O)(=O)N2)CC1	REAL300003093838	0	42	0.0	-66.60	323.20	1.43	-65.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1	REAL300003093839	0	48	0.0	-38.76	332.92	9.06	-29.70
CC1=CC=CC=C1N1N=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C(C)C	REAL300003093840	0	59	0.0	-40.17	430.37	11.58	-28.59
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=CC=C1C	REAL300003093841	0	56	0.0	-39.29	416.25	11.19	-28.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=C(Cl)C=C3)C=C2)CC1	REAL300003093842	0	47	0.0	-37.87	374.40	10.21	-27.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=CC(Cl)=C3)N=N2)CC1	REAL300003093843	1	46	0.0	-37.11	370.13	8.75	-28.36
CC1=NN(C(C)(C)C)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093844	0	52	0.0	-39.26	384.70	8.30	-30.96
COCCOC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093845	0	54	0.0	-57.50	412.16	8.52	-48.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(N3C=NN=N3)CCCCC2)CC1	REAL300003093846	0	51	0.0	-50.74	361.26	8.31	-42.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3Cl)CCC2)CC1	REAL300003093847	0	50	0.0	-50.38	374.04	10.43	-39.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=C2OCC3(C)C)CC1	REAL300003093848	0	51	0.0	-41.75	374.29	8.99	-32.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N(C)C)C(F)=C2)CC1	REAL300003093849	0	48	0.0	-38.11	358.38	7.43	-30.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=C2OCCCO3)CC1	REAL300003093850	0	49	0.0	-42.92	359.16	8.69	-34.23
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)N1C=CN=C1	REAL300003093851	0	46	0.0	-55.60	344.74	8.96	-46.64
CC1=NN=NN1C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093852	0	48	0.0	-48.11	364.74	7.90	-40.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC=C3CCCCC3=C2)CC1	REAL300003093853	0	59	0.0	-42.80	429.68	13.06	-29.74
CC(C)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C1	REAL300003093854	0	48	0.0	-35.00	354.04	8.92	-26.08
CSC1=CC=CN=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093855	1	43	0.0	-35.68	328.20	8.10	-27.58
CC1=NN(CC2CC2)C(C)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093856	0	56	0.0	-47.48	418.45	10.16	-37.32
CCN1C=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003093857	0	46	0.0	-45.56	347.55	7.62	-37.94
COC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1Br	REAL300003093858	0	47	0.0	-36.45	362.16	8.46	-27.99
CC1=CC=C(C2=NC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)S2)C=C1C	REAL300003093859	1	52	0.0	-37.49	399.58	10.00	-27.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C3OC(F)(F)OC3=C2)CC1	REAL300003093860	0	49	0.0	-56.19	388.21	8.92	-47.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)F)N(C3=CC=CC=C3)N=N2)CC1	REAL300003093861	1	49	0.0	-37.74	378.53	8.82	-28.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3(CC3(F)F)CC2)CC1	REAL300003093862	0	50	0.0	-40.63	368.63	9.86	-30.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(F)F)C=C2F)CC1	REAL300003093863	0	43	0.0	-42.78	339.97	8.92	-33.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2OCC3=CC(Cl)=CC=C32)CC1	REAL300003093864	0	48	0.0	-44.82	375.19	9.42	-35.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OCC(F)(F)F)O2)CC1	REAL300003093865	1	44	0.0	-40.21	355.32	7.99	-32.22
CC1=C(C2=CC=CC=C2)SC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093866	1	50	0.0	-37.23	388.46	11.27	-25.96
CC1=NN(C(C)C)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093867	0	49	0.0	-41.51	361.25	7.62	-33.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=C(Cl)C=CC=C2Cl)CC1	REAL300003093868	0	46	0.0	-50.95	376.68	10.67	-40.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(F)F)N=C2)CC1	REAL300003093869	0	42	0.0	-40.30	325.62	7.05	-33.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3OCCOC3=CS2)CC1	REAL300003093870	1	43	0.0	-40.95	334.11	5.52	-35.43
CCC1=C(C2=CC=CC=C2)SC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093871	1	53	0.0	-37.97	407.51	11.87	-26.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=C(F)C=CC=C2F)CC1	REAL300003093872	0	49	0.0	-53.84	380.70	10.66	-43.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC=C2C(F)(F)F)CC1	REAL300003093873	1	42	0.0	-38.40	327.75	7.07	-31.33
CC1=CC=C(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCOCC2)C=C1C	REAL300003093874	0	60	0.0	-38.63	414.06	9.91	-28.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(C(F)(F)F)C=C3)CCC2)CC1	REAL300003093875	0	53	0.0	-38.39	397.09	11.13	-27.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCCC2N2C=CC=N2)CC1	REAL300003093876	0	53	0.0	-41.80	378.50	9.27	-32.53
CC(C)C1CCC(C)CC1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093877	0	58	0.0	-37.32	372.45	10.77	-26.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CN3CCCCC3=N2)CC1	REAL300003093878	0	50	0.0	-46.71	367.03	9.30	-37.41
CC(=CC1=CC=NC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093879	0	46	0.0	-39.76	336.99	7.94	-31.82
CC(=CC1=CC=CC=N1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093880	0	46	0.0	-51.14	342.35	8.91	-42.23
CC(=CC1=CC=CN=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093881	0	46	0.0	-55.17	339.92	7.90	-47.27
CC(=CC1=CC=CO1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093882	0	44	0.0	-39.00	323.49	7.96	-31.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C(C)(C)C)=C2)CC1	REAL300003093883	0	52	0.0	-37.51	373.14	10.20	-27.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C3CC3)=C2)CC1	REAL300003093884	0	47	0.0	-39.05	346.16	9.99	-29.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3OCCOC3=N2)CC1	REAL300003093885	0	45	0.0	-37.50	338.48	5.36	-32.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC=C(F)C=C2)CC1	REAL300003093886	0	49	0.0	-55.58	376.49	10.68	-44.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)CC1	REAL300003093887	0	54	0.0	-45.63	398.32	5.72	-39.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2OCC3=CC=CC=C32)CC1	REAL300003093888	0	48	0.0	-42.07	358.72	9.10	-32.97
COC1=CC=C2CCCC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=C1	REAL300003093889	0	54	0.0	-42.62	390.34	9.70	-32.92
COC1=CN2N=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2C=C1	REAL300003093890	0	47	0.0	-40.95	358.70	6.99	-33.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2CCCCCC2)CC1	REAL300003093891	0	55	0.0	-40.22	377.43	10.36	-29.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=C2OC(C)(C)C3)CC1	REAL300003093892	0	51	0.0	-40.08	374.58	9.31	-30.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCS2(=O)=O)CC1	REAL300003093893	1	43	0.0	-41.28	325.69	3.91	-37.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(N(C)C)C(Cl)=C2)CC1	REAL300003093894	0	47	0.0	-38.60	364.71	7.02	-31.58
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093895	1	53	0.0	-37.74	398.30	9.91	-27.83
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC(=O)C2=CC=CC=C12	REAL300003093896	0	49	0.0	-42.10	372.44	7.58	-34.52
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300003093897	0	46	0.0	-54.27	356.68	9.82	-44.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC2C2CCCC2)CC1	REAL300003093898	0	50	0.0	-39.42	360.25	10.01	-29.41
COC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C(F)(F)F	REAL300003093899	0	43	0.0	-52.65	335.17	6.92	-45.73
CSCC1(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003093900	0	47	0.0	-37.87	358.07	9.15	-28.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2C3CC4CC(C3)CC2C4)CC1	REAL300003093901	0	57	0.0	-51.21	381.06	10.73	-40.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3=CC=CC(Cl)=C3)S2)CC1	REAL300003093902	1	46	0.0	-36.72	377.95	9.31	-27.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CN=CC=C3C=C2)CC1	REAL300003093903	0	45	0.0	-40.85	340.19	8.44	-32.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=CC=N3)N=C2)CC1	REAL300003093904	0	48	0.0	-40.02	366.76	8.28	-31.74
CC(C)CN1N=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093905	0	49	0.0	-38.32	350.42	7.81	-30.51
COC1=CC=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093906	0	43	0.0	-37.96	323.39	6.36	-31.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=C(F)C=C3)N=C2)CC1	REAL300003093907	0	47	0.0	-40.13	363.57	9.14	-30.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(SC(F)(F)F)=C2)CC1	REAL300003093908	0	44	0.0	-38.98	353.35	9.34	-29.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C(C)(C)C)N=N2)CC1	REAL300003093909	1	47	0.0	-38.83	354.07	6.26	-32.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC23CCCCC2C3(F)F)CC1	REAL300003093910	0	50	0.0	-51.16	363.87	9.78	-41.38
CC1=CC(Br)=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003093911	0	46	0.0	-36.24	356.14	9.72	-26.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)CC1	REAL300003093912	0	56	0.0	-37.95	392.55	11.00	-26.95
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093913	0	54	0.0	-43.93	401.92	10.42	-33.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(OCC3=CC=CC=C3)C=C2)CC1	REAL300003093914	0	57	0.0	-56.72	438.45	12.30	-44.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=NN2C2=CC=CC=C2)CC1	REAL300003093915	1	46	0.0	-41.39	348.44	7.66	-33.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)CC(F)(F)F)CC1	REAL300003093916	0	45	0.0	-54.87	327.51	7.43	-47.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2COCC2C2=CC=CC=C2)CC1	REAL300003093917	0	51	0.0	-40.24	369.95	8.58	-31.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3CC3)C=NN2C)CC1	REAL300003093918	0	47	0.0	-40.60	356.79	7.94	-32.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC2COC3(C)C)CC1	REAL300003093919	0	48	0.0	-39.52	339.46	6.70	-32.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CN(C)N=N2)CC1	REAL300003093920	0	43	0.0	-55.28	336.83	6.02	-49.26
COC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCC(F)(F)CC1	REAL300003093921	0	50	0.0	-51.86	352.50	7.45	-44.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(C)(C)CC(C)(C)C2)CC1	REAL300003093922	0	58	0.0	-38.93	393.88	10.23	-28.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=C(C3CC3)C=N2)CC1	REAL300003093923	0	47	0.0	-47.60	355.63	8.46	-39.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=C2COCC3)CC1	REAL300003093924	0	48	0.0	-38.08	351.42	8.02	-30.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3(CC3(F)F)C2)CC1	REAL300003093925	0	44	0.0	-43.55	336.32	8.80	-34.75
CC1=CC(F)=CC(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093926	0	46	0.0	-39.36	348.93	9.25	-30.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3CCC3)C=NN2C)CC1	REAL300003093927	0	50	0.0	-39.18	373.17	8.45	-30.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(N3C=NN=N3)CC2)CC1	REAL300003093928	0	42	0.0	-44.42	321.79	6.15	-38.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CNC3=NC=N2)CC1	REAL300003093929	0	42	0.0	-38.77	317.99	7.91	-30.86
CCCCCC1=NNC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093930	0	52	0.0	-37.76	386.00	8.47	-29.29
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1CCOCC1	REAL300003093931	0	58	0.0	-37.61	405.75	9.25	-28.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C(Cl)=CC=CN3N=C2)CC1	REAL300003093932	0	43	0.0	-40.69	339.52	8.16	-32.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3=NOC=C3)OC=N2)CC1	REAL300003093933	0	42	0.0	-42.18	325.59	5.42	-36.76
CC(C)C1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093934	0	49	0.0	-36.36	356.88	9.85	-26.51
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093935	0	48	0.0	-38.01	370.56	7.99	-30.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(Br)C=C2F)CC1	REAL300003093936	0	43	0.0	-43.55	350.75	9.64	-33.91
CC(=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CO1	REAL300003093937	0	44	0.0	-50.28	335.09	8.35	-41.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC(Cl)=CC=C3S2)CC1	REAL300003093938	1	43	0.0	-35.40	350.54	9.78	-25.62
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093939	0	51	0.0	-41.58	381.03	9.58	-32.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C(=O)C3=CC=CO3)=C2)CC1	REAL300003093940	0	49	0.0	-41.38	377.48	9.54	-31.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(C3CCCCC3)C=C2)CC1	REAL300003093941	0	59	0.0	-53.11	429.04	12.83	-40.28
COCC1=CN=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093942	0	46	0.0	-39.86	347.74	5.82	-34.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C(F)(F)F)CCCCC2)CC1	REAL300003093943	0	49	0.0	-39.29	340.61	8.47	-30.82
CCCCC(C)(F)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093944	1	48	0.0	-35.33	344.45	8.53	-26.80
COC1=CC=CC=C1C(F)(F)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093945	1	47	0.0	-37.96	357.89	8.31	-29.65
CC1=NNC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C12	REAL300003093946	0	46	0.0	-56.05	348.85	7.19	-48.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC(C3=CC=CN=C3)=N2)CC1	REAL300003093947	1	45	0.0	-38.23	352.00	5.88	-32.35
COCCCN1N=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CC1=O	REAL300003093948	0	52	0.0	-42.83	396.83	6.27	-36.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C(=C2)C(C)(C)C(=O)N3C)CC1	REAL300003093949	0	54	0.0	-60.09	404.20	9.43	-50.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CF)C=C2)CC1	REAL300003093950	0	43	0.0	-37.57	325.56	8.73	-28.84
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300003093951	0	47	0.0	-40.52	364.44	8.27	-32.25
COC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CCOC1	REAL300003093952	0	48	0.0	-47.06	341.52	5.79	-41.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=NN(C(C)(C)C)N=N2)CC1	REAL300003093953	0	50	0.0	-46.78	377.40	6.57	-40.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3COCCC3=C2)CC1	REAL300003093954	0	48	0.0	-39.08	351.20	7.97	-31.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2CC2(F)F)CC1	REAL300003093955	0	43	0.0	-45.36	330.18	8.51	-36.85
COCCCOCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093956	0	50	0.0	-52.70	377.87	5.95	-46.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)N2C=CC=N2)CC1	REAL300003093957	0	46	0.0	-35.30	329.24	7.69	-27.61
COC1=CC=C(OC(C)(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093958	0	54	0.0	-44.39	380.25	8.35	-36.04
CC(C)CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300003093959	0	55	0.0	-53.88	414.73	11.72	-42.16
COC1=CC=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1Cl	REAL300003093960	0	47	0.0	-40.72	367.07	8.77	-31.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(N3C=NN=N3)CCOCC2)CC1	REAL300003093961	0	49	0.0	-37.48	350.60	5.99	-31.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN3C=CC=NC3=N2)CC1	REAL300003093962	1	41	0.0	-45.65	317.31	8.90	-36.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CSC3=NC=N2)CC1	REAL300003093963	0	41	0.0	-36.75	321.72	8.07	-28.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)OC2=CC=CC=C2)CC1	REAL300003093964	0	50	0.0	-42.07	350.50	9.09	-32.98
CC1=CC=CC=C1C1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCC1	REAL300003093965	0	53	0.0	-49.07	373.35	10.47	-38.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=CC4=C3C=CC=C4)O2)CC1	REAL300003093966	1	49	0.0	-38.35	373.94	10.96	-27.39
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003093967	1	46	0.0	-49.66	361.26	4.50	-45.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CSC=C3S2)CC1	REAL300003093968	1	40	0.0	-36.45	324.67	8.21	-28.24
CC1=CC=CC=C1CC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093969	0	52	0.0	-40.03	374.96	10.49	-29.54
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC(C(F)F)=C1	REAL300003093970	1	43	0.0	-37.63	334.00	8.12	-29.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C3CC4=C(Cl)C=CC=C4C32)CC1	REAL300003093971	0	48	0.0	-40.07	374.21	11.30	-28.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3CC3)C=C2)CC1	REAL300003093972	0	47	0.0	-40.51	345.99	10.02	-30.49
COC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CCCC1	REAL300003093973	0	50	0.0	-40.80	346.96	8.02	-32.78
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093974	0	50	0.0	-40.80	369.49	10.81	-29.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3=CC=CC=C3CO2)CC1	REAL300003093975	0	48	0.0	-41.60	352.55	9.30	-32.30
COC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CCCCC1	REAL300003093976	0	53	0.0	-41.53	373.56	9.13	-32.40
CC(CC1=CC=CO1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093977	0	46	0.0	-52.28	345.89	8.32	-43.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3OC(C)CC3=C2)CC1	REAL300003093978	0	48	0.0	-39.20	355.96	8.54	-30.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3(C2)CCCCC3)CC1	REAL300003093979	0	53	0.0	-39.95	370.27	10.13	-29.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=CC3=CC=CC=C32)CC1	REAL300003093980	0	46	0.0	-37.08	360.02	10.73	-26.35
COCC1=CSC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003093981	1	44	0.0	-39.63	342.71	6.53	-33.10
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CCCO1	REAL300003093982	0	50	0.0	-38.16	356.03	7.64	-30.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(Cl)=C2Cl)CC1	REAL300003093983	0	47	0.0	-46.01	381.07	11.14	-34.87
CC1=CC=C2OC=C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=C1	REAL300003093984	0	49	0.0	-44.45	373.30	10.02	-34.43
COC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300003093985	0	47	0.0	-56.89	358.97	8.86	-48.03
CCCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300003093986	0	52	0.0	-44.46	398.66	11.33	-33.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3=C(Cl)C=CC=C32)CC1	REAL300003093987	0	44	0.0	-43.05	344.69	9.96	-33.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CSN=N3)C=C2)CC1	REAL300003093988	0	45	0.0	-41.82	354.76	7.96	-33.86
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CO1	REAL300003093989	0	46	0.0	-39.72	342.90	8.47	-31.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=CC=CC=C3CC2)CC1	REAL300003093990	0	53	0.0	-43.67	377.11	10.93	-32.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C2CCC2)C2CCC2)CC1	REAL300003093991	0	56	0.0	-37.57	388.57	11.16	-26.41
CC1=CC=C(COC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003093992	0	53	0.0	-45.07	395.27	10.49	-34.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3CC3(F)F)C=C2)CC1	REAL300003093993	0	48	0.0	-40.94	370.98	9.04	-31.90
CCCC(OCC)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003093994	0	49	0.0	-42.74	356.81	8.35	-34.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC(F)(F)F)C(Cl)=C2)CC1	REAL300003093995	0	44	0.0	-38.64	358.87	8.25	-30.39
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1Br	REAL300003093996	0	44	0.0	-38.58	347.45	7.86	-30.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C3CC4=CC=CC=C4C32)CC1	REAL300003093997	0	48	0.0	-37.53	357.65	10.82	-26.71
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1OC(F)(F)F	REAL300003093998	0	47	0.0	-38.19	365.04	8.50	-29.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2COC3=CC(F)=CC=C3C2)CC1	REAL300003093999	0	48	0.0	-42.76	360.48	8.75	-34.01
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C(S(C)(=O)=O)O1	REAL300003094000	1	46	0.0	-49.74	362.55	4.41	-45.33
CC1=CC=CC=C1COC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094001	0	53	0.0	-56.80	393.15	10.56	-46.24
CCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCC(F)(F)CC1	REAL300003094002	0	52	0.0	-40.29	355.25	8.91	-31.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)(F)F)C=NN2C)CC1	REAL300003094003	1	43	0.0	-44.13	345.99	6.91	-37.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C2=CC=CC=C2)CC1	REAL300003094004	0	52	0.0	-37.89	365.20	8.82	-29.07
CC1=CCC(C)(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003094005	0	50	0.0	-38.65	344.04	8.89	-29.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2OC(C)(C)C)CC1	REAL300003094006	0	50	0.0	-37.60	364.87	7.78	-29.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C(F)(F)F)=C2)CC1	REAL300003094007	0	40	0.0	-38.55	329.94	8.09	-30.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C3=CC=CC=C3)C2)CC1	REAL300003094008	0	53	0.0	-41.63	384.50	11.25	-30.38
COCCCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003094009	0	50	0.0	-40.82	377.93	6.37	-34.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3CC3)N=C2)CC1	REAL300003094010	0	44	0.0	-40.64	330.98	7.21	-33.43
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1CCOCC1	REAL300003094011	0	54	0.0	-38.29	395.98	7.87	-30.42
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003094012	0	50	0.0	-44.95	387.98	8.83	-36.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3)CCCCCC2)CC1	REAL300003094013	0	59	0.0	-39.07	393.00	11.14	-27.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)(F)F)SC=C2)CC1	REAL300003094014	1	40	0.0	-45.46	326.77	8.06	-37.40
CC1=NN(C2CCOCC2)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094015	0	54	0.0	-39.58	391.76	7.34	-32.24
CCOC1=CC=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094016	0	51	0.0	-54.74	387.44	9.70	-45.04
COC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094017	0	48	0.0	-41.52	362.36	8.77	-32.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3CCCCN3C=C2)CC1	REAL300003094018	0	48	0.0	-38.37	347.85	9.27	-29.10
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003094019	0	49	0.0	-43.05	395.39	9.35	-33.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3C(C2)C3(F)F)CC1	REAL300003094020	0	47	0.0	-38.45	340.60	9.01	-29.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C(C)(F)F)CC2)CC1	REAL300003094021	0	43	0.0	-37.31	320.42	7.72	-29.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C(F)(F)F)CCOCC2)CC1	REAL300003094022	0	47	0.0	-39.46	333.77	6.18	-33.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3CC3)N=N2)CC1	REAL300003094023	1	43	0.0	-38.08	327.80	6.39	-31.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1	REAL300003094024	0	51	0.0	-43.36	377.53	4.74	-38.62
COC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC(F)F	REAL300003094025	0	51	0.0	-48.46	392.50	8.47	-39.99
CC1=CC=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1Br	REAL300003094026	0	46	0.0	-38.69	360.43	10.06	-28.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC3=C2COCC3)CC1	REAL300003094027	1	44	0.0	-36.60	327.49	6.15	-30.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC(F)=CC(F)=C3)CCCC2)CC1	REAL300003094028	0	53	0.0	-39.64	382.52	11.08	-28.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(S(C)(=O)=O)O2)CC1	REAL300003094029	0	47	0.0	-58.99	381.57	5.26	-53.73
CCCC1CCCC1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094030	0	52	0.0	-38.07	365.82	9.75	-28.32
CC1=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1=CC=CC=C1	REAL300003094031	0	57	0.0	-43.22	430.11	12.92	-30.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Cl)SC=C2)CC1	REAL300003094032	1	37	0.0	-38.52	307.39	7.54	-30.98
CSC1=CC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003094033	1	44	0.0	-35.80	341.50	8.06	-27.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CSC3=CN=C2)CC1	REAL300003094034	0	42	0.0	-38.51	330.91	7.39	-31.12
CCOC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCOCC1	REAL300003094035	0	51	0.0	-37.33	353.97	5.84	-31.49
CC1=CC(C)=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094036	0	49	0.0	-42.34	366.92	10.31	-32.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C3CCCCCCC32)CC1	REAL300003094037	0	53	0.0	-50.03	371.27	10.36	-39.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=NN=NN3C=C2)CC1	REAL300003094038	0	41	0.0	-48.08	314.15	6.02	-42.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(C3CC3)CC2)CC1	REAL300003094039	0	53	0.0	-38.10	365.91	10.14	-27.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3SC=CC3=NC=N2)CC1	REAL300003094040	0	41	0.0	-37.51	323.31	8.12	-29.39
CCCCCCCCC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094041	0	60	0.0	-39.16	429.43	11.77	-27.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Cl)C=NN2C)CC1	REAL300003094042	0	40	0.0	-42.96	322.24	6.34	-36.62
CC1=CC(F)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(F)=C1	REAL300003094043	1	43	0.0	-38.53	337.48	8.88	-29.65
COC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1OC(C)C	REAL300003094044	0	54	0.0	-41.26	397.85	9.36	-31.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CC=C(Br)N3N=C2)CC1	REAL300003094045	0	43	0.0	-40.49	349.13	8.24	-32.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(F)(F)N2C=C(C3=CC=CC=C3)N=N2)CC1	REAL300003094046	1	49	0.0	-59.42	388.70	8.55	-50.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CS2)CC1	REAL300003094047	0	41	0.0	-38.57	323.17	8.53	-30.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3(CC3)C2)CC1	REAL300003094048	0	50	0.0	-37.62	354.02	9.58	-28.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)CC1	REAL300003094049	0	50	0.0	-38.82	381.37	8.23	-30.59
COC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003094050	0	47	0.0	-37.87	345.35	7.98	-29.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3=CC=C(F)C=C3)N=C2)CC1	REAL300003094051	0	50	0.0	-40.10	391.68	8.36	-31.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3=CC=CC=C3F)N=C2)CC1	REAL300003094052	0	50	0.0	-41.57	390.00	8.13	-33.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CN(C)N=N2)CC1	REAL300003094053	0	45	0.0	-56.29	345.36	6.30	-49.99
CCOCCOCCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094054	0	53	0.0	-56.50	399.68	7.07	-49.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC2CC2=CC=CC=C2)CC1	REAL300003094055	0	56	0.0	-38.65	399.48	12.24	-26.41
CCCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300003094056	0	52	0.0	-42.04	398.54	11.37	-30.67
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094057	0	57	0.0	-40.88	422.29	8.00	-32.88
COC1=CC=CC(C(OC)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094058	0	51	0.0	-39.70	380.15	8.08	-31.62
COCCOCCOCCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094059	0	57	0.0	-57.94	433.30	6.43	-51.51
COC1=CC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2C=C1OC	REAL300003094060	0	54	0.0	-40.55	402.10	9.41	-31.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2(N3C=NN=N3)CCOCC2)CC1	REAL300003094061	0	52	0.0	-57.80	374.44	7.05	-50.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2CN2C=CN=N2)CC1	REAL300003094062	0	49	0.0	-35.23	372.43	8.33	-26.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2CN2C=CN=N2)CC1	REAL300003094063	0	49	0.0	-35.23	372.43	8.33	-26.90
CCCN1N=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094064	0	46	0.0	-38.00	338.93	7.31	-30.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NC3=CC=CN=C3)C=C2)CC1	REAL300003094065	0	51	0.0	-42.58	381.67	8.37	-34.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(C(C)(C)C)C=C2)CC1	REAL300003094066	0	56	0.0	-39.93	409.04	11.78	-28.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3(CC3)CC2)CC1	REAL300003094067	0	50	0.0	-38.13	356.01	9.66	-28.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=CC(F)=CC=C32)CC1	REAL300003094068	0	47	0.0	-55.70	355.90	10.00	-45.70
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003094069	0	53	0.0	-41.35	390.04	11.47	-29.88
CC1=CC=CC=C1COCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094070	0	50	0.0	-45.45	374.73	10.08	-35.37
CC1=CC=CC(COCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094071	0	50	0.0	-45.36	379.96	10.06	-35.30
CC1=CC=C(COCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094072	0	50	0.0	-56.85	383.07	10.11	-46.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=C2Br)OCO3)CC1	REAL300003094073	0	43	0.0	-38.45	345.45	7.23	-31.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1	REAL300003094074	0	49	0.0	-39.41	357.94	9.18	-30.23
CC(C)C1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094075	0	49	0.0	-52.01	360.90	9.82	-42.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H](C)OC2=CC=C(Cl)C=C2Cl)CC1	REAL300003094076	0	47	0.0	-47.55	378.75	10.25	-37.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(CN3C=CN=N3)=C2)CC1	REAL300003094077	0	49	0.0	-43.43	374.62	8.30	-35.13
CCN1N=CC(Cl)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094078	0	43	0.0	-38.48	344.41	7.20	-31.28
CCCCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C(C)C	REAL300003094079	0	54	0.0	-38.41	368.85	9.65	-28.76
CCOCCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003094080	0	50	0.0	-39.41	378.29	6.55	-32.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NN2CCC2=CC=CC=C2)CC1	REAL300003094081	0	53	0.0	-38.44	398.30	10.32	-28.12
CC(=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CS1	REAL300003094082	0	44	0.0	-37.65	341.25	9.31	-28.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC=C2C(F)(F)F)CC1	REAL300003094083	1	40	0.0	-39.34	326.38	7.98	-31.36
COCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCCC1	REAL300003094084	0	53	0.0	-39.78	360.43	7.47	-32.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3)CC2(C)C)CC1	REAL300003094085	0	53	0.0	-39.63	384.10	10.92	-28.71
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094086	1	48	0.0	-38.14	378.40	7.30	-30.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)F)N(C3=CC=CC=C3)N=C2)CC1	REAL300003094087	1	50	0.0	-42.96	380.76	9.66	-33.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC(Cl)=C3)CC(C)C2)CC1	REAL300003094088	0	53	0.0	-49.73	392.75	11.05	-38.68
COC1=CC=C(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCC2)C=C1OC	REAL300003094089	0	58	0.0	-39.53	417.19	9.33	-30.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=C(Cl)C=CC=C3Cl)CCC2)CC1	REAL300003094090	0	50	0.0	-37.47	376.59	10.61	-26.86
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(O)=C1	REAL300003094091	0	45	0.0	-43.01	336.42	5.48	-37.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCCC2=CC=C(Cl)C=C2)CC1	REAL300003094092	0	52	0.0	-52.80	408.30	11.91	-40.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300003094093	0	59	0.0	-38.15	417.04	12.93	-25.22
COC(C)(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1F	REAL300003094094	0	50	0.0	-39.17	357.76	8.37	-30.80
COC1CCCC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C1	REAL300003094095	0	53	0.0	-40.16	376.39	8.26	-31.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CC(F)(F)C2)CC1	REAL300003094096	0	43	0.0	-55.74	328.21	8.28	-47.46
CC1=C2SC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=CC=C1	REAL300003094097	1	46	0.0	-35.58	354.13	9.90	-25.68
CCC(C)C(OC)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094098	0	49	0.0	-42.67	341.71	7.97	-34.70
COCCOC1CCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003094099	0	57	0.0	-45.67	402.76	7.35	-38.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC(C3CC3)=C2)CC1	REAL300003094100	0	50	0.0	-42.44	373.32	11.08	-31.36
CC1=C(C)C=C2C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=COC2=C1	REAL300003094101	0	49	0.0	-40.23	365.07	9.60	-30.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(C)(C)C(F)(F)F)C=C2)CC1	REAL300003094102	0	52	0.0	-41.25	386.62	10.38	-30.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2CCC2)C2CCC2)CC1	REAL300003094103	0	53	0.0	-40.80	368.13	10.06	-30.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3CCC(C)CC3=N2)CC1	REAL300003094104	0	50	0.0	-36.79	364.93	9.59	-27.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1	REAL300003094105	0	51	0.0	-40.29	368.63	8.21	-32.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CC[C@H](CC3=CC=CC=C3)O2)CC1	REAL300003094106	0	54	0.0	-43.40	398.61	10.90	-32.50
CCC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C(C)(C)C	REAL300003094107	0	54	0.0	-49.85	367.95	9.37	-40.48
CCC1=CC=C(F)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094108	0	46	0.0	-37.32	344.20	9.34	-27.98
COCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CS1	REAL300003094109	0	44	0.0	-37.21	343.85	6.77	-30.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C=CN(C)C3=C2)CC1	REAL300003094110	0	47	0.0	-39.03	351.53	9.63	-29.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CCCCO3)CCC2)CC1	REAL300003094111	0	54	0.0	-37.45	373.55	8.52	-28.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CCC2)CC1	REAL300003094112	0	52	0.0	-42.11	386.58	10.80	-31.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=CC(C(F)(F)F)=N2)CC1	REAL300003094113	0	51	0.0	-59.01	384.16	9.22	-49.79
COC1=CC=C(F)C(OC)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094114	1	48	0.0	-41.18	372.17	6.98	-34.20
CNC1=NC(C)=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003094115	0	46	0.0	-36.83	347.41	7.92	-28.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC3=CC=CC=N3)N=N2)CC1	REAL300003094116	1	48	0.0	-40.06	373.64	6.94	-33.12
COC1=CC2=C(C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)OCO2	REAL300003094117	0	47	0.0	-40.28	355.67	6.31	-33.97
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094118	0	56	0.0	-39.89	415.30	9.61	-30.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(Cl)S2)CC1	REAL300003094119	0	41	0.0	-37.68	340.34	9.16	-28.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC=C2OC(F)(F)F)CC1	REAL300003094120	0	48	0.0	-44.16	377.80	9.32	-34.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3CCOCC3)C=C2)CC1	REAL300003094121	0	51	0.0	-37.66	374.30	7.16	-30.50
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C(C2=CC=CC=C2)O1	REAL300003094122	0	50	0.0	-37.74	379.05	10.56	-27.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC(F)(F)CC2)CC1	REAL300003094123	0	49	0.0	-41.27	355.04	9.39	-31.88
CC1=CN(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C1C(F)(F)F	REAL300003094124	0	46	0.0	-51.70	362.58	7.87	-43.83
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094125	0	50	0.0	-41.33	373.03	10.93	-30.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)F)N=CO2)CC1	REAL300003094126	1	39	0.0	-40.87	303.56	3.94	-36.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(F)F)O2)CC1	REAL300003094127	1	40	0.0	-39.47	315.53	7.35	-32.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC(C3=CC=CC=C3)=C2)CC1	REAL300003094128	0	54	0.0	-54.42	410.28	12.89	-41.53
CC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=C(F)C=C1	REAL300003094129	0	47	0.0	-38.63	357.67	9.07	-29.56
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1CCCOC1	REAL300003094130	0	58	0.0	-38.54	405.42	9.20	-29.34
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1CC1CCCOC1	REAL300003094131	0	61	0.0	-37.90	432.04	10.02	-27.88
CC1=NOC(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCOCC2)=C1	REAL300003094132	0	53	0.0	-39.22	377.89	7.07	-32.15
CCOC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C(C)C	REAL300003094133	0	49	0.0	-42.25	349.06	8.03	-34.22
CC1=CC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1Br	REAL300003094134	0	49	0.0	-37.69	378.83	10.25	-27.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2COCC2=CC=CC=C2)CC1	REAL300003094135	0	57	0.0	-39.29	432.46	11.88	-27.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(F)=C2OC(F)(F)F)CC1	REAL300003094136	0	44	0.0	-42.13	351.62	8.81	-33.32
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(C2CCOC2)=N1	REAL300003094137	1	50	0.0	-39.76	381.61	6.58	-33.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN2CC2=CC=C(Cl)C=C2)CC1	REAL300003094138	0	55	0.0	-39.77	409.50	8.87	-30.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300003094139	0	43	0.0	-43.57	357.57	9.99	-33.58
CC1=CN2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=C2C=C1	REAL300003094140	0	46	0.0	-38.17	348.03	9.91	-28.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NN2CC2CCC2)CC1	REAL300003094141	0	50	0.0	-38.96	364.45	8.63	-30.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC(Cl)=CC3=CC=CC=C32)CC1	REAL300003094142	0	49	0.0	-43.68	383.51	11.60	-32.08
COC1=CC=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)SC2=C1	REAL300003094143	1	47	0.0	-36.73	363.30	8.58	-28.15
COC1=CC=C2C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=COC2=C1C	REAL300003094144	0	53	0.0	-46.43	401.29	9.40	-37.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(F)C3=CC=CC=C23)CC1	REAL300003094145	0	50	0.0	-43.75	381.87	11.63	-32.12
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094146	0	54	0.0	-40.07	405.99	11.39	-28.68
CC1=CC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003094147	1	43	0.0	-37.52	333.08	8.52	-29.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CC(C)OC(C)C3)C=C2)CC1	REAL300003094148	0	59	0.0	-42.20	422.94	8.20	-34.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(C)(C)CC2C2=CC=CC=C2)CC1	REAL300003094149	0	62	0.0	-38.46	429.00	12.50	-25.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3)CC3(CCC3)C2)CC1	REAL300003094150	0	57	0.0	-38.69	405.25	11.92	-26.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C(F)F)CCC2)CC1	REAL300003094151	0	43	0.0	-41.24	311.62	7.50	-33.74
CC1=CN(C(C)(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C1C(F)(F)F	REAL300003094152	0	52	0.0	-50.11	391.36	8.68	-41.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2CCCCO2)CC1	REAL300003094153	0	53	0.0	-41.79	361.20	7.55	-34.24
CC(=CC1CCC(C)CC1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094154	0	56	0.0	-38.40	401.23	10.97	-27.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C)C3=CC=CC=C32)CC1	REAL300003094155	0	46	0.0	-39.91	348.52	8.53	-31.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C(C)OC(C)C2C)CC1	REAL300003094156	0	50	0.0	-42.11	353.59	7.41	-34.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C2=CC=C(Cl)C(F)=C2)CC1	REAL300003094157	0	51	0.0	-43.86	394.85	9.51	-34.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1	REAL300003094158	0	48	0.0	-41.11	331.79	6.65	-34.46
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094159	0	58	0.0	-39.15	389.49	10.98	-28.17
CC1=CC=CC=C1C1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCC1	REAL300003094160	0	56	0.0	-34.13	380.99	10.96	-23.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC2C2=CC=C(F)C=C2)CC1	REAL300003094161	0	50	0.0	-40.82	367.13	10.66	-30.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC(C(F)F)=C2)CC1	REAL300003094162	1	40	0.0	-51.43	317.50	7.07	-44.36
CSCCCCCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094163	0	52	0.0	-52.46	397.89	10.39	-42.07
CCC1=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300003094164	0	52	0.0	-46.97	394.06	10.89	-36.08
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1=CN=CC=N1	REAL300003094165	0	52	0.0	-42.53	388.58	8.92	-33.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CSC=C2)CC1	REAL300003094166	0	44	0.0	-38.18	341.84	9.23	-28.95
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C(F)(F)F	REAL300003094167	0	46	0.0	-40.54	353.42	9.47	-31.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(OCC3=CC=CC=C3)=CS2)CC1	REAL300003094168	1	51	0.0	-41.63	399.68	10.10	-31.53
CCOC1=CC=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094169	0	53	0.0	-52.67	399.94	10.05	-42.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)COC3=CC=CC=C3O2)CC1	REAL300003094170	0	49	0.0	-53.54	362.18	8.65	-44.89
CC1=CN2C=C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=C2S1	REAL300003094171	0	46	0.0	-50.05	362.44	9.64	-40.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CC3=CC=CC=C3O2)CC1	REAL300003094172	0	48	0.0	-42.96	358.85	9.41	-33.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CC3CCC2C3)CC1	REAL300003094173	0	50	0.0	-39.64	333.36	8.70	-30.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CCC(F)(F)CC2)CC1	REAL300003094174	0	49	0.0	-40.68	339.66	8.43	-32.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CSC(C(F)(F)F)=C2)CC1	REAL300003094175	0	44	0.0	-53.88	366.29	9.61	-44.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1	REAL300003094176	0	49	0.0	-38.84	349.14	9.11	-29.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(CCC(F)(F)F)=N2)CC1	REAL300003094177	0	48	0.0	-44.04	390.61	8.78	-35.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=C(F)C=CC=C2Cl)CC1	REAL300003094178	0	47	0.0	-39.45	367.93	10.68	-28.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)N2C=CC(C(F)(F)F)=N2)CC1	REAL300003094179	0	46	0.0	-45.94	359.43	7.48	-38.46
CC1=CC(C)=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003094180	0	53	0.0	-40.23	388.84	11.18	-29.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC=C2C(F)(F)F)CC1	REAL300003094181	0	47	0.0	-45.51	366.48	10.28	-35.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C3NC=CC3=C2)CC1	REAL300003094182	0	48	0.0	-55.30	367.44	9.53	-45.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC3CCCC3)N=C2)CC1	REAL300003094183	0	53	0.0	-38.43	387.87	9.21	-29.22
COCCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003094184	0	47	0.0	-39.41	356.44	5.59	-33.82
CC1=CC=CC(COC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094185	0	53	0.0	-56.31	398.75	10.54	-45.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2[C@@H](C3=CC=CC=C3)C2(C)C)CC1	REAL300003094186	0	53	0.0	-50.17	385.58	11.31	-38.86
COC1=CC(C)=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003094187	0	50	0.0	-38.04	368.15	8.60	-29.44
COCCN1N=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003094188	0	50	0.0	-40.45	377.74	6.17	-34.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2(C3=CC=CC=C3)CC2)CC1	REAL300003094189	0	50	0.0	-41.22	371.16	10.81	-30.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=COC3=CC(Cl)=CC=C23)CC1	REAL300003094190	0	46	0.0	-46.72	368.70	9.83	-36.89
CCC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=CC=C1	REAL300003094191	0	50	0.0	-37.82	372.70	9.80	-28.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(F)C3=C2CCCC3)CC1	REAL300003094192	0	56	0.0	-53.55	410.16	12.11	-41.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	REAL300003094193	0	45	0.0	-39.80	326.53	6.37	-33.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(F)C3=CC=CC=C23)CC1	REAL300003094194	0	52	0.0	-42.21	393.48	11.93	-30.28
CCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(Br)C=C1	REAL300003094195	0	49	0.0	-54.10	380.81	10.56	-43.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C3CC4=CC(Cl)=CC=C4C32)CC1	REAL300003094196	0	48	0.0	-51.28	377.80	11.36	-39.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC=C3OCCCOC3=C2)CC1	REAL300003094197	0	58	0.0	-48.02	429.82	10.51	-37.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3CC2C2CC23)CC1	REAL300003094198	0	48	0.0	-40.56	333.46	9.29	-31.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3=CC=C(Cl)C=C32)CC1	REAL300003094199	0	44	0.0	-41.65	345.68	10.02	-31.63
CCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=N1	REAL300003094200	0	46	0.0	-40.12	343.93	7.22	-32.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=C(C(F)(F)F)SC=C2)CC1	REAL300003094201	0	44	0.0	-44.75	358.60	9.42	-35.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3CCOCC3)C=C2)CC1	REAL300003094202	0	54	0.0	-39.27	390.04	9.25	-30.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(C(F)F)C=C2)CC1	REAL300003094203	0	49	0.0	-41.47	377.66	10.66	-30.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(C(F)F)=C2)CC1	REAL300003094204	0	42	0.0	-38.91	324.96	6.95	-31.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C2=CC=CC=C2)CC1	REAL300003094205	0	56	0.0	-38.30	387.56	11.60	-26.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=CC=CC2=O)CC1	REAL300003094206	0	43	0.0	-46.29	328.20	7.55	-38.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=NNC3=CC=C2)CC1	REAL300003094207	0	43	0.0	-41.52	326.71	6.57	-34.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2CCCCC2=O)CC1	REAL300003094208	0	47	0.0	-56.49	347.48	7.26	-49.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCN2C=C(Cl)C=N2)CC1	REAL300003094209	0	43	0.0	-52.82	346.64	7.51	-45.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C)C(C3CC3)=C2)CC1	REAL300003094210	0	47	0.0	-37.57	352.09	8.33	-29.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=CC=CN=C32)CC1	REAL300003094211	0	45	0.0	-43.91	337.34	8.57	-35.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=NC=C2)CC1	REAL300003094212	0	45	0.0	-42.28	340.35	8.02	-34.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=CN=CC=C32)CC1	REAL300003094213	0	45	0.0	-41.42	337.75	8.38	-33.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(N(C)C)=C2)CC1	REAL300003094214	0	47	0.0	-39.09	347.33	7.65	-31.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C(=C2)N=CN3C)CC1	REAL300003094215	0	46	0.0	-45.68	345.86	9.20	-36.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=NC=N2)CC1	REAL300003094216	0	44	0.0	-53.06	337.75	7.85	-45.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COCC2=CC=NN2C)CC1	REAL300003094217	0	47	0.0	-50.61	359.39	7.08	-43.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC=N2)CC1	REAL300003094218	0	45	0.0	-51.65	342.75	8.06	-43.59
CC1=CC(=O)N(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094219	0	46	0.0	-53.52	349.65	8.21	-45.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC3=NNC=C3C=C2)CC1	REAL300003094220	0	46	0.0	-50.07	350.57	7.69	-42.38
CC(C)CN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003094221	0	49	0.0	-38.49	364.07	8.06	-30.43
CC(CC(=O)[O-])N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300003094222	1	52	0.0	-73.30	366.38	7.15	-66.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=CN=C2)CC1	REAL300003094223	0	48	0.0	-35.63	339.11	7.61	-28.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC3=CC=NC=C32)CC1	REAL300003094224	0	44	0.0	-41.26	332.94	6.51	-34.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3CC3)N=CO2)CC1	REAL300003094225	1	43	0.0	-40.24	325.43	5.29	-34.95
COC1=NSC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094226	1	40	0.0	-36.99	315.34	3.76	-33.23
CC1=CC2=C(SC=C2CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003094227	0	46	0.0	-43.36	373.44	10.24	-33.12
CCOC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CCOC1	REAL300003094228	0	51	0.0	-47.43	363.23	6.71	-40.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)C(C)C(C)(C)C)CC1	REAL300003094229	0	54	0.0	-39.20	361.74	8.98	-30.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C2=CC=CC(Cl)=C2)CC1	REAL300003094230	0	56	0.0	-38.49	417.86	12.25	-26.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C2=CC(F)=CC=C2F)CC1	REAL300003094231	0	50	0.0	-44.52	395.83	9.44	-35.08
COC1=CC=CC(C(C)(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094232	0	53	0.0	-38.30	369.59	8.97	-29.33
COC1=CC=CC=C1C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003094233	1	51	0.0	-39.08	397.37	10.02	-29.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CC(C)(C)C)C=C2)CC1	REAL300003094234	0	55	0.0	-37.97	394.01	10.89	-27.08
CCOC1COCCC1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094235	0	54	0.0	-41.70	387.37	7.25	-34.45
CCC1CCCCC1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094236	0	52	0.0	-37.87	360.72	9.54	-28.33
CCOC1CC2(CC2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C1	REAL300003094237	0	51	0.0	-38.87	374.42	8.63	-30.24
CCC1=CC2=C(SC=C2CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003094238	0	49	0.0	-43.10	394.94	11.02	-32.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C(F)F)N=C2)CC1	REAL300003094239	0	40	0.0	-41.55	313.82	5.81	-35.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C(F)(F)F)=NC=N2)CC1	REAL300003094240	1	41	0.0	-36.82	328.46	7.92	-28.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=COC3=C(Cl)C(Cl)=CC=C23)CC1	REAL300003094241	0	46	0.0	-46.76	383.69	10.33	-36.43
CCCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003094242	1	46	0.0	-35.92	351.87	9.16	-26.76
CCOCCCCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094243	0	52	0.0	-53.61	387.19	8.41	-45.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOC2CCOCC2)CC1	REAL300003094244	0	54	0.0	-43.24	394.15	7.08	-36.16
CCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2CC2)=N1	REAL300003094245	0	50	0.0	-41.52	378.38	8.83	-32.69
CSC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CO1	REAL300003094246	1	41	0.0	-56.02	327.34	7.25	-48.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3C=CC=CN23)CC1	REAL300003094247	0	43	0.0	-42.79	322.19	8.23	-34.56
CCN1CCOCC1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094248	0	49	0.0	-39.63	346.30	4.35	-35.28
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2CC2)=N1	REAL300003094249	0	49	0.0	-38.87	365.45	9.15	-29.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2COCCN2C2CCCC2)CC1	REAL300003094250	0	56	0.0	-51.25	386.50	6.03	-45.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3CCCCN23)CC1	REAL300003094251	0	47	0.0	-39.67	339.52	7.95	-31.72
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300003094252	0	49	0.0	-61.72	353.99	6.82	-54.90
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300003094252	1	49	0.0	-62.86	349.97	7.13	-55.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(CC(F)(F)F)C2)CC1	REAL300003094253	0	48	0.0	-41.54	358.86	6.16	-35.38
CCCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=N1	REAL300003094254	0	51	0.0	-35.80	375.91	9.03	-26.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3N=NN(C)C3=NC=C2)CC1	REAL300003094255	0	44	0.0	-46.07	337.68	5.75	-40.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CN=C3)CCCC2)CC1	REAL300003094256	0	52	0.0	-38.28	365.12	9.31	-28.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=CC=CN=C32)CC1	REAL300003094257	0	46	0.0	-39.12	339.93	8.15	-30.97
CC1=NC=C2CCC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CN12	REAL300003094258	0	50	0.0	-44.98	362.44	8.74	-36.24
CC(CC(=O)[O-])N1CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300003094259	1	58	0.0	-63.59	418.75	9.40	-54.19
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094260	0	54	0.0	-41.10	396.11	10.30	-30.80
CC(CC1=CNC=N1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094261	0	46	0.0	-53.62	341.51	8.21	-45.41
CC(CC1=CN=CN1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094261	1	46	0.0	-41.99	340.23	7.67	-34.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3CCCN23)CC1	REAL300003094262	0	44	0.0	-41.42	324.43	7.40	-34.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC3=CC=CC=C32)CC1	REAL300003094263	0	52	0.0	-40.86	387.96	11.91	-28.95
CC(CCC1=CC=C(F)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094264	0	52	0.0	-43.09	387.83	10.89	-32.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C)(C)C2=CC=C(F)C=C2)CC1	REAL300003094265	0	52	0.0	-42.03	375.87	10.61	-31.42
COCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1F	REAL300003094266	0	47	0.0	-37.38	356.28	7.83	-29.55
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094267	1	53	0.0	-44.87	411.07	5.97	-38.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC23CCOCC3)CC1	REAL300003094268	0	51	0.0	-39.88	346.03	7.36	-32.52
CCOC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CCOCC1	REAL300003094269	0	54	0.0	-54.61	382.15	7.43	-47.18
CCOC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CCCC1	REAL300003094270	0	53	0.0	-41.19	372.97	9.38	-31.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3CC(C)(C)OC3=C2)CC1	REAL300003094271	0	51	0.0	-39.33	374.89	9.14	-30.19
CCN1N=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003094272	0	46	0.0	-38.56	341.60	7.10	-31.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C4CC4)C=CC=C3N2)CC1	REAL300003094273	0	51	0.0	-38.08	379.17	10.45	-27.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC3CC3)N=C2)CC1	REAL300003094274	0	47	0.0	-39.61	354.07	8.09	-31.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1	REAL300003094275	0	48	0.0	-56.22	339.49	7.99	-48.23
CC1=CC2=C(S1)C(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)=CS2	REAL300003094276	0	46	0.0	-44.00	372.90	10.18	-33.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Cl)C3=C(F)C=CC=C3S2)CC1	REAL300003094277	1	43	0.0	-41.12	354.61	9.84	-31.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)CC1	REAL300003094278	1	51	0.0	-41.23	387.17	9.42	-31.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)C2=CC=C(F)C=C2)CC1	REAL300003094279	1	42	0.0	-52.57	335.36	8.02	-44.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3CC3)O2)CC1	REAL300003094280	1	43	0.0	-39.76	327.01	5.15	-34.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CC=C3O)=NN2)CC1	REAL300003094281	0	48	0.0	-40.89	366.52	5.77	-35.12
CCC1CCCC1(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094282	0	52	0.0	-39.48	350.72	9.02	-30.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@]2(C3=CC=CC=C3)C[C@@H](F)C2)CC1	REAL300003094283	0	50	0.0	-51.88	368.18	10.20	-41.68
CC1=CC(C)=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003094284	0	46	0.0	-41.20	355.37	9.45	-31.75
CCN1N=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C1CC1	REAL300003094285	0	50	0.0	-38.11	364.58	8.42	-29.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(F)(F)C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300003094286	1	55	0.0	-49.68	410.18	11.26	-38.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC=C2F)CC1	REAL300003094287	0	44	0.0	-44.13	338.46	9.50	-34.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C3OCOC3=C2)CC1	REAL300003094288	0	47	0.0	-57.12	362.15	8.15	-48.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(F)C=C2)CC1	REAL300003094289	0	44	0.0	-41.83	339.35	9.52	-32.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC([C@H]3CC[C@H](C)CC3)=N2)CC1	REAL300003094290	0	58	0.0	-43.61	434.59	10.49	-33.12
COC1=CC=C(C2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=NO2)C=C1	REAL300003094291	1	50	0.0	-37.18	384.28	8.87	-28.31
CCC1=CC=C(C2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=NO2)C=C1	REAL300003094292	1	52	0.0	-35.75	397.73	11.01	-24.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300003094293	0	52	0.0	-52.47	384.21	10.53	-41.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=C(F)C=C2F)CC1	REAL300003094294	0	49	0.0	-43.10	353.44	9.34	-33.76
C=CCCCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003094295	0	56	0.0	-40.74	411.81	11.89	-28.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)OCCC3=CC=CC=C32)CC1	REAL300003094296	0	51	0.0	-38.86	364.05	8.89	-29.97
CC1=CC=C(Cl)C=C1OCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094297	0	47	0.0	-55.60	372.90	10.18	-45.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC(C(C)(C)C)(C2)C3)CC1	REAL300003094298	0	53	0.0	-39.24	379.57	10.10	-29.14
CC1=CC(C(F)(F)F)=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003094299	1	44	0.0	-40.24	351.45	7.87	-32.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)F)C=CS2)CC1	REAL300003094300	1	40	0.0	-41.38	325.02	7.98	-33.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003094301	0	50	0.0	-44.70	390.36	11.26	-33.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC(C)(C)CO2)CC1	REAL300003094302	0	53	0.0	-40.75	375.22	8.99	-31.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C)(C)CC(F)F)CC1	REAL300003094303	0	48	0.0	-39.54	341.80	8.59	-30.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2CCCCS2(=O)=O)CC1	REAL300003094304	0	48	0.0	-62.38	364.68	4.65	-57.73
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CNN=C2C=C1	REAL300003094305	0	46	0.0	-43.04	350.04	7.34	-35.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CC1	REAL300003094306	0	44	0.0	-54.12	355.54	8.04	-46.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCOC3=C(F)C=CC=C32)CC1	REAL300003094307	0	48	0.0	-58.70	360.66	8.62	-50.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(S(C)(=O)=O)CC2)CC1	REAL300003094308	0	52	0.0	-52.67	384.05	5.73	-46.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=CC(F)=C3)S2)CC1	REAL300003094309	1	47	0.0	-39.15	373.99	10.71	-28.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=C(C(F)F)C=C2C2CC2)CC1	REAL300003094310	0	50	0.0	-44.94	390.65	9.16	-35.78
CCC(CC1=CC=CC(C)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094311	0	55	0.0	-39.41	395.88	11.22	-28.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(OC(C)(C)C)=C2)CC1	REAL300003094312	0	53	0.0	-55.36	381.38	9.04	-46.32
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094313	0	48	0.0	-40.11	367.84	9.82	-30.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CC(F)(F)C2)CC1	REAL300003094314	0	43	0.0	-40.72	315.07	7.52	-33.20
CC(C)OC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCC1	REAL300003094315	0	50	0.0	-47.78	354.51	8.10	-39.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CCCCO3)CCOCC2)CC1	REAL300003094316	0	58	0.0	-40.54	387.94	6.94	-33.60
CC1=CC=C2OCC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=C1	REAL300003094317	0	49	0.0	-38.99	371.34	9.26	-29.73
COC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003094318	0	52	0.0	-57.24	394.73	8.70	-48.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(SC(F)F)C=C2)CC1	REAL300003094319	0	48	0.0	-41.69	382.52	10.72	-30.97
COC1=CC=C(OC)C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094320	0	52	0.0	-42.13	390.74	8.11	-34.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CSC=C2)CC1	REAL300003094321	0	41	0.0	-51.19	325.76	8.43	-42.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC3=C2CC(C)(C)CC3)CC1	REAL300003094322	1	52	0.0	-35.42	372.41	9.46	-25.96
CCC1=NN(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094323	0	46	0.0	-38.48	339.63	7.05	-31.43
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(C2=CC=C(C)C=C2)=N1	REAL300003094324	1	52	0.0	-38.17	405.56	10.14	-28.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(C3CCCC3)=N2)CC1	REAL300003094325	0	52	0.0	-42.58	394.50	9.22	-33.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(C3CC3)=N2)CC1	REAL300003094326	0	46	0.0	-43.19	360.63	8.13	-35.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2CCC(C)CC2)CC1	REAL300003094327	0	53	0.0	-42.91	379.30	9.71	-33.20
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C(F)(F)F)=CO1	REAL300003094328	1	43	0.0	-36.89	345.37	7.98	-28.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2CCC3=CC=CC=C32)CC1	REAL300003094329	0	53	0.0	-39.63	386.03	11.47	-28.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C(F)(F)F)=CC=N2)CC1	REAL300003094330	1	42	0.0	-38.97	333.22	8.04	-30.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2CC(C)(C)CO2)CC1	REAL300003094331	0	53	0.0	-37.21	382.59	8.26	-28.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C)(C)CC(F)(F)F)CC1	REAL300003094332	0	48	0.0	-41.71	345.58	8.67	-33.04
COC1=CC=C(CCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003094333	0	60	0.0	-56.70	450.32	10.59	-46.11
COC1=CC=C2CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCC2=C1	REAL300003094334	0	54	0.0	-41.83	389.26	9.71	-32.12
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094335	0	48	0.0	-55.24	339.96	7.00	-48.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CN3C=CN=C3)C=C2)CC1	REAL300003094336	0	50	0.0	-42.78	381.03	11.14	-31.64
CC1=NC(CN2CCC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2)=CS1	REAL300003094337	0	57	0.0	-42.65	422.78	7.34	-35.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)N2CCN(C)CC2)CC1	REAL300003094338	0	53	0.0	-40.20	373.23	4.24	-35.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC3(CCC3)CO2)CC1	REAL300003094339	0	54	0.0	-39.15	383.98	9.65	-29.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC3(CCOCC3)CO2)CC1	REAL300003094340	0	58	0.0	-42.24	401.11	8.22	-34.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1	REAL300003094341	0	48	0.0	-53.22	348.49	7.60	-45.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3CCC(C2)S3)CC1	REAL300003094342	0	48	0.0	-34.67	325.17	8.51	-26.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC=C2C(F)F)CC1	REAL300003094343	1	40	0.0	-40.96	322.25	7.90	-33.06
COC1=CC=C(CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003094344	0	57	0.0	-47.66	425.72	9.77	-37.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2[C@@H](C3=CC=CC=C3)C2(F)F)CC1	REAL300003094345	0	47	0.0	-40.48	361.30	10.35	-30.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC=C(Br)C=C2)CC1	REAL300003094346	0	49	0.0	-54.68	391.37	11.24	-43.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC(F)=CC(F)=C3)C=C2)CC1	REAL300003094347	0	47	0.0	-37.23	370.29	9.86	-27.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCCC2=CC=CC=C2)CC1	REAL300003094348	0	52	0.0	-52.36	391.57	11.39	-40.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CC(C)(C)CO2)CC1	REAL300003094349	0	50	0.0	-41.76	360.87	8.07	-33.69
CC1=C2OC=C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=CC=C1Cl	REAL300003094350	0	49	0.0	-44.54	387.22	10.45	-34.09
CC1=CN2N=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2N=C1	REAL300003094351	0	45	0.0	-43.06	344.03	7.54	-35.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC=C3C([N+](=O)[O-])=C2N)CC1	REAL300003094352	0	50	0.0	-43.41	385.29	9.26	-34.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC3(CCC3)O2)CC1	REAL300003094353	0	51	0.0	-40.37	368.32	8.82	-31.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCOC3(CCC3)C2)CC1	REAL300003094354	0	51	0.0	-40.74	358.15	7.72	-33.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC(Br)=CC=C2F)CC1	REAL300003094355	0	44	0.0	-41.36	359.75	10.11	-31.25
COC1=CC2=CC=C(C=CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2C=C1	REAL300003094356	0	54	0.0	-55.17	411.67	11.05	-44.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC=CCCC2)CC1	REAL300003094357	0	50	0.0	-40.43	342.02	9.19	-31.24
CCN1N=C(C2CC2)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094358	0	50	0.0	-39.34	369.08	8.67	-30.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3CCCC3=NN2C)CC1	REAL300003094359	0	47	0.0	-40.73	350.63	7.70	-33.03
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003094360	0	48	0.0	-37.63	364.82	10.14	-27.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC=C3N=C2)CC1	REAL300003094361	0	45	0.0	-39.52	338.27	8.17	-31.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3(C2)CC(F)(F)C3)CC1	REAL300003094362	0	47	0.0	-55.38	355.62	9.32	-46.06
CCSC1=CC=CC=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094363	0	50	0.0	-38.99	382.96	10.75	-28.24
C=CCOC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC	REAL300003094364	0	56	0.0	-57.16	429.49	10.20	-46.96
CCCCC1=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300003094365	0	59	0.0	-39.77	449.42	13.09	-26.68
CC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(Br)=C1	REAL300003094366	0	47	0.0	-41.30	372.59	10.62	-30.68
CC1=CC=CC(C2=CC=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)=C1	REAL300003094367	0	53	0.0	-40.35	393.10	11.95	-28.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC3=C(C=CS3)C2=O)CC1	REAL300003094368	0	49	0.0	-47.81	374.43	10.87	-36.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3OCCCOC3=C2[N+](=O)[O-])CC1	REAL300003094369	1	51	0.0	-45.81	391.68	8.79	-37.02
COC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCSC1	REAL300003094370	0	45	0.0	-51.95	330.16	6.42	-45.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NN2C2CC2)CC1	REAL300003094371	0	44	0.0	-38.53	327.16	7.35	-31.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC4CC(CC(C)(C4)C2)C3)CC1	REAL300003094372	0	57	0.0	-39.79	375.26	10.13	-29.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CCCCC3)CC2)CC1	REAL300003094373	0	53	0.0	-39.88	365.39	9.77	-30.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C4OCCOC4=C3)CC2)CC1	REAL300003094374	0	53	0.0	-43.07	392.65	9.00	-34.07
COC1=CC=CC(C(F)F)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094375	0	47	0.0	-43.12	360.64	8.29	-34.83
CC1=CC=C(F)C(Br)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094376	0	43	0.0	-42.17	348.76	9.24	-32.93
COC1=CC=CC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=NN21	REAL300003094377	0	47	0.0	-42.90	357.27	6.52	-36.38
CCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CC=CC=C2)=N1	REAL300003094378	0	53	0.0	-41.42	396.58	10.01	-31.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NNC3=C2CC(C)CC3)CC1	REAL300003094379	0	50	0.0	-37.53	362.05	8.01	-29.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CN3C=C(Cl)C=N3)S2)CC1	REAL300003094380	1	47	0.0	-41.67	388.44	9.10	-32.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3CCCCC3=NN2C)CC1	REAL300003094381	0	50	0.0	-39.63	368.55	8.23	-31.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CC=C3)=NN2C)CC1	REAL300003094382	0	50	0.0	-39.80	375.28	9.26	-30.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C(F)(F)F)=NN2C)CC1	REAL300003094383	0	43	0.0	-39.33	337.61	6.71	-32.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC=C(C3CC3)C=C2)CC1	REAL300003094384	0	56	0.0	-53.95	419.30	12.72	-41.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CCOC3)NC2=O)CC1	REAL300003094385	0	48	0.0	-43.20	362.10	5.03	-38.17
CCN1C=C(Cl)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094386	0	44	0.0	-36.87	339.75	8.81	-28.06
COC1=CC(OC)=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003094387	1	46	0.0	-37.96	354.24	3.43	-34.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CCCS2(=O)=O)CC1	REAL300003094388	1	46	0.0	-53.30	333.62	5.37	-47.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(CC3=CC=CC=C3)=C2)CC1	REAL300003094389	1	49	0.0	-37.68	378.26	10.45	-27.23
COC1=CC2=NC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2C=C1	REAL300003094390	0	49	0.0	-41.55	367.70	7.48	-34.07
CC(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003094391	0	48	0.0	-43.82	353.71	8.95	-34.87
CCN1N=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C1CC1	REAL300003094392	0	50	0.0	-36.58	373.49	9.19	-27.39
CCC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1Br	REAL300003094393	0	46	0.0	-36.70	356.54	9.78	-26.92
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CC=CC(F)=C2)=NO1	REAL300003094394	0	49	0.0	-44.61	383.77	10.21	-34.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C#N)CC3CCC2C3)CC1	REAL300003094395	0	48	0.0	-35.01	338.81	8.29	-26.72
COC1=NC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003094396	0	46	0.0	-57.59	358.02	4.20	-53.39
CC1=NNC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=CC=C12	REAL300003094397	0	46	0.0	-41.92	344.76	7.20	-34.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCOC3(CCCC3)C2)CC1	REAL300003094398	0	54	0.0	-40.43	374.66	8.45	-31.98
COC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=CC=C1	REAL300003094399	0	48	0.0	-40.06	359.83	7.71	-32.35
CC1=CC(C)=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(=O)N1	REAL300003094400	0	49	0.0	-50.32	367.33	7.08	-43.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3NC=CC3=N2)CC1	REAL300003094401	0	43	0.0	-36.71	323.99	7.04	-29.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C2CCCC2)CC1	REAL300003094402	0	53	0.0	-43.00	384.32	8.83	-34.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CCCOCC3=CC=CC=C3)CC2)CC1	REAL300003094403	0	60	0.0	-42.30	450.76	11.60	-30.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CN(C)C=N2)CC1	REAL300003094404	0	44	0.0	-52.54	340.20	8.93	-43.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCCCCC3)C=C2)CC1	REAL300003094405	0	58	0.0	-36.76	402.63	9.56	-27.20
CC(SC1=CC=C(F)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094406	1	47	0.0	-53.87	373.27	10.16	-43.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)F)SC=C2)CC1	REAL300003094407	1	40	0.0	-42.20	321.15	7.84	-34.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C[C@@H]2C[C@H]2CC2=CC=CC=C2)CC1	REAL300003094408	0	53	0.0	-40.06	397.87	11.99	-28.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CN3C=CN=N3)O2)CC1	REAL300003094409	1	46	0.0	-45.31	359.40	6.91	-38.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=CC=N3)N=C2)CC1	REAL300003094410	0	46	0.0	-42.62	354.31	8.38	-34.24
CC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1Cl	REAL300003094411	0	46	0.0	-42.49	359.46	10.09	-32.40
CC1=CC(C)=NN1CCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094412	0	52	0.0	-47.69	389.65	8.82	-38.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC=CC3=CC=CN=C32)CC1	REAL300003094413	0	44	0.0	-42.12	332.67	7.81	-34.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2(C)CCS(=O)(=O)N2)CC1	REAL300003094414	0	48	0.0	-51.23	355.49	3.10	-48.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC3=CC(Cl)=CC=C32)CC1	REAL300003094415	0	45	0.0	-39.50	354.11	8.80	-30.70
COC1=CC=CC(CC(C)CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094416	0	56	0.0	-43.56	409.13	10.28	-33.28
CC(C)C1CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCO1	REAL300003094417	0	53	0.0	-51.76	368.72	8.14	-43.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=C2CCOC3)CC1	REAL300003094418	0	48	0.0	-37.87	349.62	8.01	-29.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCCC(C(F)(F)F)O2)CC1	REAL300003094419	0	50	0.0	-42.39	377.64	9.04	-33.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC(C3CC3)O2)CC1	REAL300003094420	0	51	0.0	-43.69	372.87	9.31	-34.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2CC[C@H](NC3=CN=CC=N3)CC2)CC1	REAL300003094421	0	56	0.0	-45.79	407.65	7.49	-38.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2CC[C@H](NC3=NC=CC=N3)CC2)CC1	REAL300003094422	0	56	0.0	-57.48	413.16	10.08	-47.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC[C@@H]3C[C@@H]3CC2)CC1	REAL300003094423	0	50	0.0	-40.63	339.34	9.24	-31.39
CC(CC(=O)[O-])N1CCN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)CC1	REAL300003094424	1	61	0.0	-72.41	454.36	9.34	-63.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3C(=C2)C(C(F)(F)F)=NN3C)CC1	REAL300003094425	0	48	0.0	-39.56	383.44	8.05	-31.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CCC3=CC=CC=C3)CC2)CC1	REAL300003094426	0	53	0.0	-39.11	393.27	11.49	-27.62
COC1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003094427	0	49	0.0	-54.58	375.62	6.52	-48.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CCOC3=CC=CC=C32)CC1	REAL300003094428	0	51	0.0	-37.19	361.14	8.55	-28.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3)CCCO2)CC1	REAL300003094429	0	51	0.0	-47.38	371.29	9.17	-38.21
COC1=CC=C2NC=CC2=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094430	0	48	0.0	-41.90	363.94	7.45	-34.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3CCCC3)N=C2N)CC1	REAL300003094431	1	53	0.0	-38.61	389.25	7.46	-31.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=NN(C)C=N3)C=C2)CC1	REAL300003094432	0	49	0.0	-45.94	374.80	9.99	-35.95
CC1=CC(C)=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094433	0	45	0.0	-36.44	336.49	8.25	-28.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3CCCC3)N=CS2)CC1	REAL300003094434	1	49	0.0	-36.00	363.00	8.33	-27.67
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)N2N=CN=C2N1C	REAL300003094435	0	52	0.0	-60.70	379.88	10.99	-49.71
CC1=CC=NC=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094436	0	46	0.0	-41.20	345.68	8.21	-32.99
CC(CC(=O)[O-])N1CCN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300003094437	1	61	0.0	-64.73	424.80	9.56	-55.17
CC1=CC(=O)C=C(C)N1CCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094438	0	55	0.0	-74.23	406.70	9.99	-64.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NC3=NN(C)C=C3)C=C2)CC1	REAL300003094439	0	52	0.0	-42.84	393.38	9.49	-33.35
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1C1=CN(C)N=C1	REAL300003094440	1	49	0.0	-39.94	374.29	6.50	-33.44
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1C1=NN(C)C=C1	REAL300003094441	1	49	0.0	-40.01	373.19	7.66	-32.35
CCOC1=NC(C(F)(F)F)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094442	1	49	0.0	-41.25	384.64	7.62	-33.63
CCOC1=NC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC=C2N1	REAL300003094443	0	50	0.0	-39.98	379.44	5.34	-34.64
CCC(CC)OC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094444	0	56	0.0	-38.04	403.48	10.15	-27.89
CC1=CC(F)=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1F	REAL300003094445	0	46	0.0	-40.52	356.15	9.74	-30.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNN=C2C2=COC=C2)CC1	REAL300003094446	0	44	0.0	-43.75	335.00	6.02	-37.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C2=COC=C2)CC1	REAL300003094447	0	47	0.0	-49.29	365.92	7.37	-41.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC=C2OC2CCCC2)CC1	REAL300003094448	0	57	0.0	-39.14	417.57	11.26	-27.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC=C2OC2CCOC2)CC1	REAL300003094449	0	55	0.0	-41.13	408.41	8.71	-32.42
COCC(C)(C)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094450	0	49	0.0	-39.91	348.83	7.08	-32.83
CC1=CN2C=CN=C2C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094451	0	46	0.0	-41.95	352.57	9.39	-32.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCS(=O)(=O)C3=CC=CC=C32)CC1	REAL300003094452	0	50	0.0	-56.16	378.10	6.39	-49.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(O)(CCC(C)(C)C)C2)CC1	REAL300003094453	0	59	0.0	-37.74	417.24	7.91	-29.83
CCOC1=NC=CC(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094454	0	49	0.0	-52.27	375.12	6.36	-45.91
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094455	1	46	0.0	-40.27	361.47	9.53	-30.74
CNC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=NS1	REAL300003094456	1	44	0.0	-41.53	345.36	5.28	-36.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3=CC=C(F)C=C3)C=C2)CC1	REAL300003094457	0	51	0.0	-39.16	393.73	10.85	-28.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC(F)=CC3=C2OCOC3)CC1	REAL300003094458	0	49	0.0	-43.18	373.85	8.15	-35.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CCNS(C)(=O)=O)C=C2)CC1	REAL300003094459	0	54	0.0	-49.32	418.96	5.47	-43.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(S(N)(=O)=O)=CN2C)CC1	REAL300003094460	0	46	0.0	-44.20	357.45	2.27	-41.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(S(N)(=O)=O)C=C2)CC1	REAL300003094461	0	49	0.0	-49.43	387.06	4.41	-45.02
CC1=NC(COC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2)=NO1	REAL300003094462	0	52	0.0	-43.50	400.51	6.68	-36.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNN=C2C2=CC=CC=C2)CC1	REAL300003094463	0	47	0.0	-47.58	359.20	7.90	-39.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(C3=CC=CS3)=C2)CC1	REAL300003094464	1	43	0.0	-36.43	347.61	8.74	-27.69
COCCCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003094465	0	53	0.0	-40.89	403.12	5.48	-35.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCN2C=C(S(N)(=O)=O)C=N2)CC1	REAL300003094466	0	48	0.0	-61.14	385.99	1.87	-59.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CS(N)(=O)=O)C=C2)CC1	REAL300003094467	0	48	0.0	-50.85	375.64	3.54	-47.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=C(S(N)(=O)=O)C=N2)CC1	REAL300003094468	0	45	0.0	-55.44	360.55	1.23	-54.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C(S(N)(=O)=O)C=C2)CC1	REAL300003094469	0	49	0.0	-53.79	387.15	3.86	-49.93
CC(C)CC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003094470	1	48	0.0	-35.12	364.95	8.50	-26.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(N3C=NC=N3)=C2)CC1	REAL300003094472	0	45	0.0	-45.17	348.34	9.75	-35.42
CC1=NC(S(=O)(=O)NCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CN1C	REAL300003094473	0	51	0.0	-55.25	401.70	3.51	-51.74
CC1=NOC(C(F)F)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094474	1	42	0.0	-39.20	334.50	7.27	-31.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3N=CN=C3N2)CC1	REAL300003094475	0	42	0.0	-48.50	318.39	6.81	-41.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3N=CNC3=N2)CC1	REAL300003094475	1	42	0.0	-40.64	319.47	7.71	-32.93
CC1=C(C)NC(=O)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003094476	0	45	0.0	-46.46	336.59	6.34	-40.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(C3=CC=CC=C3)C2)CC1	REAL300003094477	0	52	0.0	-40.12	375.40	8.43	-31.69
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CC(=O)N1	REAL300003094478	0	43	0.0	-44.24	327.40	5.76	-38.48
CC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(Cl)=C1	REAL300003094479	0	46	0.0	-41.29	359.32	10.08	-31.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC3=CC=NC=C3C=C2)CC1	REAL300003094480	0	48	0.0	-46.92	365.08	9.46	-37.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC3=CNN=C3C=C2)CC1	REAL300003094481	0	46	0.0	-50.49	350.58	7.70	-42.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC(C(F)F)=C2)CC1	REAL300003094482	0	46	0.0	-41.92	356.47	9.82	-32.10
CC1=CC=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1Cl	REAL300003094483	0	46	0.0	-38.80	357.01	9.99	-28.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=NC=CN3C=C2)CC1	REAL300003094484	0	43	0.0	-44.43	330.69	8.70	-35.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=NC=CN32)CC1	REAL300003094485	0	43	0.0	-41.81	329.84	8.44	-33.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3N=NN=C3C=C2)CC1	REAL300003094486	0	41	0.0	-48.91	313.98	6.01	-42.90
CC1=CN2C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CN=C2C=C1	REAL300003094487	0	46	0.0	-42.58	343.61	8.88	-33.70
CC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C2C=CC=CN12	REAL300003094488	0	46	0.0	-40.17	346.30	9.92	-30.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC=C3C=CC=CN32)CC1	REAL300003094489	0	43	0.0	-38.29	324.23	9.32	-28.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3CCCCC3=NO2)CC1	REAL300003094490	1	46	0.0	-37.36	337.32	7.97	-29.39
CC1=CC=C2OC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCC2=C1	REAL300003094491	0	51	0.0	-43.53	374.00	10.41	-33.12
COC1=CC2=NC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N2C=C1	REAL300003094492	0	47	0.0	-40.92	351.23	7.51	-33.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CN=CN=C2)CC1	REAL300003094493	0	44	0.0	-42.88	335.11	7.80	-35.08
COC1=COC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC1=O	REAL300003094494	0	43	0.0	-48.12	331.23	6.27	-41.85
CCC1=CN=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094496	0	45	0.0	-38.30	336.84	7.52	-30.78
CC1=CSC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003094497	0	45	0.0	-52.69	355.16	7.54	-45.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=NC=C3N=C2)CC1	REAL300003094498	0	44	0.0	-40.70	333.16	6.40	-34.30
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C1C	REAL300003094499	0	45	0.0	-36.37	332.55	8.16	-28.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC(F)=C3N=C2)CC1	REAL300003094500	0	45	0.0	-63.04	349.72	8.43	-54.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3CCCC3)C=C2)CC1	REAL300003094501	0	53	0.0	-37.50	381.69	11.11	-26.39
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C(F)(F)F)=NN1	REAL300003094502	0	43	0.0	-45.26	344.42	6.02	-39.24
CCOC1=NOC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094503	1	43	0.0	-38.43	330.52	4.55	-33.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(=O)C3=CC=CN32)CC1	REAL300003094504	0	47	0.0	-63.16	352.18	8.30	-54.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=C2NC(=O)C=C3)CC1	REAL300003094505	0	46	0.0	-45.61	348.24	7.22	-38.39
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003094506	0	51	0.0	-43.15	389.07	4.07	-39.08
COCCOC1=CN=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094507	0	50	0.0	-40.21	377.72	5.58	-34.63
CNS(=O)(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003094508	0	47	0.0	-47.29	370.11	2.18	-45.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(S(N)(=O)=O)N=C2)CC1	REAL300003094509	0	44	0.0	-48.03	347.68	0.97	-47.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(S(=O)(=O)N(C)C)N=C2)CC1	REAL300003094510	0	50	0.0	-46.61	389.83	3.97	-42.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNS(=O)(=O)C2=CN(C)C=N2)CC1	REAL300003094511	0	48	0.0	-48.29	382.19	3.72	-44.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(O)C2=CC(Cl)=CC(Cl)=C2)CC1	REAL300003094512	0	47	0.0	-55.02	388.93	8.54	-46.48
CCC(C)(C)C1CCC2(CC2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003094513	0	65	0.0	-37.51	432.28	12.07	-25.44
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C1CC1	REAL300003094514	0	51	0.0	-38.98	374.46	9.33	-29.65
CC1=CC=C(OCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(Cl)=C1	REAL300003094515	0	53	0.0	-57.78	415.98	10.64	-47.14
CSCC1=NOC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003094516	0	48	0.0	-44.43	381.76	6.44	-37.99
CCOC1=NC(C)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094517	0	49	0.0	-40.29	366.56	7.17	-33.12
CCCOC1=NC(C)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094518	0	52	0.0	-40.20	388.06	7.97	-32.23
COCCC(C)(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094519	0	49	0.0	-54.07	344.89	6.20	-47.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=CS3)CCCCC2)CC1	REAL300003094520	0	56	0.0	-39.68	394.37	10.94	-28.74
COC1=CC(OC2CC2)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094521	0	52	0.0	-40.81	389.57	8.52	-32.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3=CC=CC=C3)C=N2)CC1	REAL300003094522	0	50	0.0	-36.42	382.05	9.92	-26.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC(C)(C)C)C=N2)CC1	REAL300003094523	0	52	0.0	-35.26	374.12	8.04	-27.22
CC1=NC=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003094524	0	47	0.0	-53.27	359.58	7.81	-45.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN3C(=CN=C3C3=CC=CC=C3)C2)CC1	REAL300003094525	0	57	0.0	-45.29	417.89	11.52	-33.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCCC2=NNN=C2)CC1	REAL300003094526	0	48	0.0	-54.61	365.37	6.45	-48.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCCC2=CNN=N2)CC1	REAL300003094526	1	48	0.0	-57.66	365.47	6.53	-51.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC(Cl)=CC3=C2OCC3)CC1	REAL300003094527	0	48	0.0	-40.82	376.55	9.35	-31.47
CC(CC(=O)[O-])N1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1	REAL300003094528	1	57	0.0	-71.30	375.23	7.97	-63.33
CCC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N=N1	REAL300003094529	0	47	0.0	-40.73	350.06	7.05	-33.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC3(C)COC3)N=N2)CC1	REAL300003094530	1	50	0.0	-40.79	372.96	5.59	-35.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)(F)F)N=CO2)CC1	REAL300003094531	1	39	0.0	-42.48	310.13	4.07	-38.41
CC(C)N1C=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094532	0	46	0.0	-36.94	343.31	9.40	-27.54
CC(CC(=O)[O-])N1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1	REAL300003094533	1	57	0.0	-69.80	398.63	8.20	-61.60
CC(CC(=O)[O-])N1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1	REAL300003094533	1	57	0.0	-70.24	398.64	8.20	-62.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2COCCN2CC(F)F)CC1	REAL300003094534	0	49	0.0	-42.42	357.99	4.74	-37.68
COC1=CC=CC(OC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=C2)=C1	REAL300003094535	0	54	0.0	-37.03	411.49	9.21	-27.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(N3C=CN=N3)=C2)CC1	REAL300003094536	0	45	0.0	-43.69	345.10	6.02	-37.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNN=C2C2=CC=C(Cl)C=C2)CC1	REAL300003094537	0	47	0.0	-42.45	368.96	8.38	-34.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(N3CC(C)OC(C)C3)=CC=N2)CC1	REAL300003094539	0	58	0.0	-38.21	420.63	7.36	-30.85
CC1=CC(C)=NN1CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094540	0	49	0.0	-54.92	371.25	8.05	-46.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(F)(F)F)NC2=O)CC1	REAL300003094541	0	43	0.0	-40.88	339.36	5.87	-35.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNS(=O)(=O)C2=CC=CN=C2)CC1	REAL300003094542	0	47	0.0	-50.03	373.17	2.84	-47.19
CC1=CC=C(C(O)(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(F)(F)F)O1	REAL300003094543	0	50	0.0	-41.86	389.28	7.47	-34.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(N2)SC=C3)CC1	REAL300003094544	0	41	0.0	-37.27	320.80	7.48	-29.79
CC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1=NN=CN1	REAL300003094545	1	45	0.0	-42.27	349.13	10.55	-31.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3C=CN=C3)N=C2)CC1	REAL300003094546	0	46	0.0	-45.36	352.03	9.64	-35.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)(F)F)C3=CC=CC=C3N=C2)CC1	REAL300003094547	0	48	0.0	-38.85	372.20	9.05	-29.80
CC1=NOC2=NC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C12	REAL300003094548	1	44	0.0	-43.94	337.45	5.39	-38.55
CCCN(CC)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094549	0	57	0.0	-36.34	414.00	10.97	-25.37
CCN(C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1)C(C)C	REAL300003094550	0	57	0.0	-36.81	404.68	10.50	-26.31
CCOC1=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1O	REAL300003094551	0	52	0.0	-56.53	398.15	7.56	-48.97
CCCN(C)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094552	0	54	0.0	-37.61	391.79	9.99	-27.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCCN2CC2=CC=C(F)C=C2)CC1	REAL300003094553	0	58	0.0	-41.89	420.70	9.62	-32.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN2CC2=CC=C(F)C=C2)CC1	REAL300003094554	0	55	0.0	-40.24	399.18	8.42	-31.82
CCCS(=O)(=O)NC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094555	0	54	0.0	-44.83	418.01	6.20	-38.63
CC(C)C1=CC=C(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCCC2)C=C1	REAL300003094556	0	62	0.0	-36.93	430.34	13.09	-23.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(CN3C=NC=N3)=C2)CC1	REAL300003094557	0	49	0.0	-58.16	378.85	10.98	-47.18
CC1=NOC(C2CC2)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094558	1	46	0.0	-40.99	354.93	8.66	-32.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3C(=C2)N=NN3C)CC1	REAL300003094559	0	44	0.0	-56.49	341.16	5.60	-50.89
C#CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094560	0	42	0.0	-38.97	324.40	9.08	-29.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C3=NNC=N3)=C2)CC1	REAL300003094561	0	46	0.0	-46.15	352.66	8.75	-37.40
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)C=C1Cl	REAL300003094562	0	46	0.0	-37.43	353.13	9.70	-27.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3C(=C2)N=CN3C)CC1	REAL300003094563	0	45	0.0	-56.11	343.68	8.42	-47.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(NC3CC3)=N2)CC1	REAL300003094564	1	45	0.0	-35.71	352.42	7.46	-28.25
CC1=NC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2N1C	REAL300003094565	0	49	0.0	-57.13	368.06	9.01	-48.12
CC1=NN(C(C)CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094566	0	49	0.0	-43.91	362.96	8.01	-35.90
CCNC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003094567	1	44	0.0	-35.75	342.67	6.65	-29.10
CC1=CC=C2SN=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=C1	REAL300003094568	0	45	0.0	-35.93	348.50	9.19	-26.74
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C(S(N)(=O)=O)O1	REAL300003094569	1	45	0.0	-43.62	356.32	1.81	-41.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C)(C)CC2=CC=C(Cl)C=C2)CC1	REAL300003094570	0	55	0.0	-53.31	409.67	11.84	-41.47
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094571	0	57	0.0	-37.75	419.24	12.39	-25.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COCC2=CC=CC(Cl)=C2)CC1	REAL300003094572	0	47	0.0	-45.54	375.28	9.90	-35.64
CC1=C(Br)C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(=O)N1	REAL300003094573	0	43	0.0	-42.40	347.74	6.11	-36.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(S2)N(C)N=C3C(F)F)CC1	REAL300003094574	1	46	0.0	-41.07	373.36	7.83	-33.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC(C3CCOCC3)=N2)CC1	REAL300003094575	1	50	0.0	-37.74	372.42	5.38	-32.36
CCC1=NC(C2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2)=NN1	REAL300003094576	0	52	0.0	-44.41	395.21	9.24	-35.17
COCCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(Cl)=C1	REAL300003094577	0	51	0.0	-41.06	400.35	7.98	-33.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=CC=C3)CCOCC2)CC1	REAL300003094578	0	57	0.0	-40.97	395.00	9.35	-31.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCCS(=O)(=O)C2)CC1	REAL300003094579	0	49	0.0	-50.95	362.75	5.27	-45.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3CCOCC3)N=N2)CC1	REAL300003094580	1	50	0.0	-37.60	370.28	5.73	-31.87
CC(C)C1CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCO1	REAL300003094581	0	56	0.0	-41.07	386.40	8.83	-32.24
CCC1CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCO1	REAL300003094582	0	53	0.0	-40.67	376.92	8.45	-32.22
CCC1CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCO1	REAL300003094583	0	50	0.0	-55.57	359.03	7.52	-48.05
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CC=CC=C2)=NO1	REAL300003094584	0	52	0.0	-37.98	401.45	10.68	-27.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3CC3)N=C2N)CC1	REAL300003094585	1	47	0.0	-38.17	353.91	6.56	-31.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3CCCC3=CO2)CC1	REAL300003094586	1	44	0.0	-37.47	325.81	8.14	-29.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3CCOCC3=CO2)CC1	REAL300003094587	1	45	0.0	-40.17	333.45	6.35	-33.82
C=CC(C)(CCOC)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094588	0	50	0.0	-40.74	350.60	6.65	-34.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(=O)C3=CC=CC(O)=C3)C=C2)CC1	REAL300003094589	0	53	0.0	-45.62	406.67	8.35	-37.27
COC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CN(C)N=C1	REAL300003094590	0	47	0.0	-50.79	353.81	6.44	-44.35
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(NCC(F)(F)F)=N1	REAL300003094591	0	50	0.0	-57.66	392.86	7.68	-49.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)S(=O)(=O)C2CC2)CC1	REAL300003094592	1	49	0.0	-54.18	359.42	5.33	-48.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2OC2=CN(C)N=C2)CC1	REAL300003094593	0	51	0.0	-42.22	391.68	8.67	-33.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC3=C(C=NN3C)C(=O)N2)CC1	REAL300003094594	0	51	0.0	-61.48	396.39	7.04	-54.44
COC1=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1O	REAL300003094595	0	48	0.0	-47.39	364.26	6.11	-41.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(O)C(F)=C2)CC1	REAL300003094596	0	44	0.0	-47.80	341.24	6.20	-41.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2CCCCC2)CC1	REAL300003094597	0	50	0.0	-37.65	346.07	7.00	-30.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC(C)CC2)CC1	REAL300003094598	0	52	0.0	-50.77	367.86	9.91	-40.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(C3=CC=NC=C3)=C2)CC1	REAL300003094599	1	45	0.0	-38.61	350.57	7.82	-30.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC(O)=C2)CC1	REAL300003094600	0	44	0.0	-43.25	335.32	6.10	-37.15
COC1=CC=CC=C1C1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NO1	REAL300003094601	1	50	0.0	-37.39	385.73	9.00	-28.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)CCC2=CC=CC=C2)CC1	REAL300003094602	0	50	0.0	-42.50	372.52	8.21	-34.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3OC(F)(F)OC3=C2)CC1	REAL300003094603	0	43	0.0	-39.93	338.67	7.06	-32.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(Cl)C=C3)CCCCC2)CC1	REAL300003094604	0	56	0.0	-34.16	400.00	11.53	-22.63
CCCOC1=CC=CN=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094605	1	49	0.0	-36.80	364.19	9.38	-27.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(C(C)(C)C)C=C3)CCC2)CC1	REAL300003094606	0	62	0.0	-36.46	434.56	12.45	-24.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3=CC=CC=N3)S2)CC1	REAL300003094607	1	45	0.0	-38.62	357.96	7.09	-31.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3C=CN=C3)N=N2)CC1	REAL300003094608	0	45	0.0	-39.91	346.73	9.12	-30.79
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300003094609	1	51	0.0	-73.93	387.59	7.22	-66.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=CC(F)=C3)CCCCC2)CC1	REAL300003094610	0	59	0.0	-41.54	400.28	11.63	-29.91
CCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300003094611	1	46	0.0	-48.86	362.95	7.53	-41.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NCC3=NC=CN3C)C=C2)CC1	REAL300003094612	0	55	0.0	-42.18	412.79	8.80	-33.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(F)=C(N3CCOCC3)C(F)=C2)CC1	REAL300003094613	0	53	0.0	-40.47	393.60	6.97	-33.50
CCOCCS(=O)(=O)NCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094614	0	51	0.0	-62.38	400.65	2.40	-59.98
CC1=CN2C=CN=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=N1	REAL300003094615	0	45	0.0	-45.71	342.07	8.37	-37.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(N3CCOCC3)=C2)CC1	REAL300003094616	0	52	0.0	-40.15	376.61	4.90	-35.25
COC1=CC=CC=C1N1N=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003094617	0	54	0.0	-41.35	404.13	9.00	-32.35
CC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C2=CC=CC=C2)S1	REAL300003094618	0	49	0.0	-38.38	389.29	9.70	-28.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3=CC=CC=C3)SC=N2)CC1	REAL300003094619	0	46	0.0	-38.97	367.40	8.96	-30.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC3=CC=CC=C3C(N(C)C)=C2)CC1	REAL300003094620	0	53	0.0	-35.64	393.91	9.01	-26.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3CCOC3)C=C2)CC1	REAL300003094621	0	52	0.0	-39.37	384.67	7.58	-31.79
CC1=C(Br)C=CC=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094622	0	46	0.0	-41.72	359.28	10.06	-31.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(O)=C2OC(F)(F)F)CC1	REAL300003094623	0	45	0.0	-41.85	354.39	6.56	-35.29
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(=O)NC2=CC=CC=C21	REAL300003094624	0	49	0.0	-40.80	371.74	7.68	-33.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CC=CN3C(C(F)(F)F)=N2)CC1	REAL300003094625	0	46	0.0	-38.38	364.38	10.16	-28.22
CC1=NOC(C)=C1C(C)(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094626	0	51	0.0	-51.97	362.56	8.03	-43.94
CCCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CN1	REAL300003094627	0	47	0.0	-37.31	347.26	7.99	-29.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC3=CC=CC=C3N=C2C2CC2)CC1	REAL300003094628	1	51	0.0	-38.92	390.04	8.82	-30.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CN=C3)CC2)CC1	REAL300003094629	0	46	0.0	-39.57	343.18	8.05	-31.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC(N(C)C)=C2)CC1	REAL300003094630	0	54	0.0	-52.37	401.10	10.24	-42.13
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C(Br)C(=O)N1	REAL300003094631	0	43	0.0	-43.59	339.44	6.01	-37.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)N(C)CC(F)(F)F)CC1	REAL300003094632	0	47	0.0	-39.11	342.80	5.75	-33.36
CC(CC(=O)[O-])N1CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300003094633	0	58	0.0	-61.80	393.02	9.39	-52.41
CC(CC(=O)[O-])N1CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300003094633	1	58	0.0	-62.37	390.39	8.60	-53.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(F)=CC3=NNN=C32)CC1	REAL300003094635	0	42	0.0	-41.32	328.27	5.35	-35.97
CC1=NN(C)C(N2C=CN=C2C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094636	0	53	0.0	-43.78	411.14	9.83	-33.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CN=CN2CC2=CC=CC=C2)CC1	REAL300003094637	0	53	0.0	-45.81	398.88	11.66	-34.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(CO)C2=CC=CC=C2)CC1	REAL300003094638	0	47	0.0	-38.03	349.65	5.93	-32.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N)C(OC(F)(F)F)=C2)CC1	REAL300003094639	0	46	0.0	-39.72	357.22	5.67	-34.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2=CC=C(Cl)C=C2)CC1	REAL300003094641	0	44	0.0	-54.30	344.99	7.20	-47.10
CSCCC(O)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094642	0	44	0.0	-40.42	336.13	5.68	-34.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(F)C3=CC=CC=C23)CC1	REAL300003094643	0	46	0.0	-38.36	348.98	10.21	-28.15
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(Cl)=C1	REAL300003094644	0	43	0.0	-38.31	336.87	9.12	-29.19
CC(C)CC1=CC=C(C(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094645	0	58	0.0	-52.65	421.11	11.99	-40.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=CC(O)=CC=C32)CC1	REAL300003094646	0	47	0.0	-40.15	355.61	7.36	-32.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCN2C=NC3=CC=CC=C32)CC1	REAL300003094647	0	52	0.0	-52.00	394.32	11.36	-40.64
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(OC)=C1O	REAL300003094648	0	49	0.0	-40.99	368.01	4.96	-36.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2NCC2=CC=CC=C2)CC1	REAL300003094649	0	55	0.0	-37.35	413.60	10.82	-26.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3=CC=CC=C3C2)CC1	REAL300003094650	0	47	0.0	-40.99	343.04	9.87	-31.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN=C2N2CCCCC2)CC1	REAL300003094651	0	54	0.0	-39.54	393.28	9.01	-30.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2O)CC1	REAL300003094652	0	44	0.0	-42.72	346.04	7.17	-35.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1	REAL300003094653	0	49	0.0	-42.34	352.21	8.98	-33.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)NS(C)(=O)=O)CC1	REAL300003094654	0	44	0.0	-48.97	333.74	1.78	-47.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H](O)C2=CC=CC=C2Cl)CC1	REAL300003094655	0	44	0.0	-35.44	335.05	6.25	-29.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(C(C)(C)C)C=C2)CC1	REAL300003094656	0	55	0.0	-53.29	403.38	11.34	-41.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H](C)OCC2=CC=CC=C2)CC1	REAL300003094657	0	50	0.0	-43.35	373.82	9.82	-33.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=C(N)C(Cl)=C2)CC1	REAL300003094658	0	42	0.0	-39.36	340.55	6.94	-32.42
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C(F)(F)F)O1	REAL300003094659	1	43	0.0	-39.61	336.49	8.04	-31.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003094660	0	48	0.0	-56.68	378.79	8.26	-48.42
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094661	0	48	0.0	-48.55	360.75	7.09	-41.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C(F)(F)F)=NN2)CC1	REAL300003094662	0	40	0.0	-39.29	319.31	5.77	-33.52
CC1=CC=CN2C=C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=C12	REAL300003094663	0	49	0.0	-49.20	371.61	10.19	-39.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CN3C=C(Cl)C=C(Cl)C3=N2)CC1	REAL300003094664	0	46	0.0	-49.10	383.63	10.55	-38.55
CC1=NC=CN1CCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094665	0	49	0.0	-50.55	367.23	9.15	-41.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCCN2CCOCC2)CC1	REAL300003094666	0	55	0.0	-42.26	395.40	6.05	-36.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)N2CCOCC2)CC1	REAL300003094667	0	52	0.0	-39.29	354.45	6.34	-32.95
CC[N@H+](CC1=CC=C(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)C=C1)C(C)C	REAL300003094668	1	60	0.0	-74.09	419.48	9.04	-65.05
CC[N@@H+](CC1=CC=C(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)C=C1)C(C)C	REAL300003094668	1	60	0.0	-74.87	417.64	9.06	-65.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3COCC(C2)C3=O)CC1	REAL300003094669	0	50	0.0	-41.77	348.07	7.55	-34.22
CCC(CC)(CO)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094670	0	49	0.0	-37.86	335.00	4.49	-33.37
CSCC(C)(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094671	0	46	0.0	-51.24	336.55	7.68	-43.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCCS2)CC1	REAL300003094672	1	44	0.0	-51.86	328.63	8.23	-43.63
CCC(C)(C)C(O)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094673	0	49	0.0	-40.15	329.42	6.25	-33.90
CSC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCC1	REAL300003094674	1	44	0.0	-48.63	330.61	7.92	-40.71
COC(CC(C)C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094675	0	49	0.0	-42.86	345.97	7.71	-35.15
C#CC1=CN=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094676	0	41	0.0	-38.89	320.08	7.23	-31.66
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC1=CC=NC=C1	REAL300003094677	0	53	0.0	-40.49	402.81	9.74	-30.75
CC(=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1C	REAL300003094678	0	50	0.0	-38.07	369.58	10.75	-27.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(O)CC2=CC=CC=C2)CC1	REAL300003094679	0	50	0.0	-37.49	365.05	7.06	-30.43
CC(OC1=CC=CN=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094680	0	46	0.0	-48.08	341.64	7.46	-40.62
CCC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1=CC=CC=C1	REAL300003094681	1	52	0.0	-40.74	393.59	10.59	-30.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN(CC2=CC=CN=C2)C2=CC=CC=C2)CC1	REAL300003094682	0	57	0.0	-45.98	420.61	10.98	-35.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C2=CC=CC=C2)CC1	REAL300003094683	0	50	0.0	-48.08	382.11	9.21	-38.87
COCCCC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094684	0	49	0.0	-40.80	355.61	6.94	-33.86
CNS(=O)(=O)N1CCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003094685	0	53	0.0	-49.74	392.76	3.30	-46.44
COCCCOCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094686	0	47	0.0	-44.25	353.78	6.21	-38.04
COC1=CC=CC(C2=NC(C)=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N2)=C1	REAL300003094687	0	54	0.0	-43.12	412.72	8.29	-34.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(C3=CC=C(Cl)C=C3)=C2)CC1	REAL300003094688	0	49	0.0	-39.07	383.90	9.97	-29.10
CC1=CC=C(C2=CN=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)C=C1	REAL300003094689	0	52	0.0	-38.89	388.52	10.11	-28.78
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CC=CC=N2)=NO1	REAL300003094690	0	48	0.0	-40.18	377.56	8.34	-31.84
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CC=CN=C2)=NO1	REAL300003094691	0	48	0.0	-45.39	372.52	8.36	-37.03
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CC=NC=C2)=NO1	REAL300003094692	0	48	0.0	-38.50	375.33	8.18	-30.32
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)N1C=CC=N1	REAL300003094693	0	46	0.0	-40.69	341.03	7.43	-33.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC(C3CCC3)=N2)CC1	REAL300003094694	1	46	0.0	-36.22	345.60	6.60	-29.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(O)CCSC2)CC1	REAL300003094695	0	42	0.0	-56.78	311.66	4.47	-52.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2(CN3C=NN=N3)CCCCC2)CC1	REAL300003094696	0	57	0.0	-42.00	396.85	9.85	-32.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC=CC=C2OC2=CC=CC=C2)CC1	REAL300003094697	1	50	0.0	-42.88	384.69	10.71	-32.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2=CC=C(Cl)C=C2F)CC1	REAL300003094698	0	44	0.0	-37.35	344.25	7.10	-30.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2=CC(Cl)=CC(Cl)=C2)CC1	REAL300003094699	0	44	0.0	-42.33	359.57	7.65	-34.68
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1N1CCOCC1	REAL300003094700	0	56	0.0	-54.63	408.42	8.12	-46.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CN(C)N=C3)O2)CC1	REAL300003094701	1	47	0.0	-39.84	365.35	7.97	-31.87
CC(CC(=O)[O-])N1CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300003094702	1	55	0.0	-69.99	399.62	8.79	-61.20
CC(CC(=O)[O-])N1CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300003094702	1	55	0.0	-70.94	403.97	8.94	-62.00
CC(CC(=O)[O-])N1CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300003094703	1	56	0.0	-76.18	403.52	8.31	-67.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(CN3C=CC=N3)=C2)CC1	REAL300003094704	1	46	0.0	-41.92	359.38	7.64	-34.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN(CC2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300003094705	0	58	0.0	-55.13	434.73	12.95	-42.18
CC1=NN(CC(F)(F)F)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094706	0	46	0.0	-44.20	361.78	7.71	-36.49
COC1=CC=CC(C(C)CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094707	0	59	0.0	-54.38	435.34	11.03	-43.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(C)CC3=C2NN=C3)CC1	REAL300003094708	0	50	0.0	-39.40	361.78	7.48	-31.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(C)CC3=CNN=C32)CC1	REAL300003094708	1	50	0.0	-41.38	361.65	7.32	-34.06
CC1=NOC(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2)=C1	REAL300003094709	0	46	0.0	-37.31	350.39	8.26	-29.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CNC(=O)C=C2)CC1	REAL300003094710	0	46	0.0	-49.51	350.08	6.68	-42.83
COC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C1	REAL300003094711	0	46	0.0	-45.66	347.00	6.65	-39.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=C(C2)N(C)N=C3)CC1	REAL300003094712	0	50	0.0	-42.82	364.62	8.12	-34.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(O)C=C2)CC1	REAL300003094713	0	47	0.0	-42.44	356.50	6.94	-35.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC3=NC=CC=C3C=C2)CC1	REAL300003094714	0	44	0.0	-39.15	334.97	8.26	-30.89
CCS(=O)(=O)NC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094715	0	47	0.0	-48.42	355.21	2.65	-45.77
CC1=NN(C)C2=NC(C)=C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C(C)=C12	REAL300003094716	0	57	0.0	-51.85	418.84	9.56	-42.29
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094717	0	55	0.0	-50.28	417.48	10.78	-39.50
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1=CC=CC=N1	REAL300003094718	0	53	0.0	-41.23	395.03	11.09	-30.14
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1=CC=CN=C1	REAL300003094719	0	53	0.0	-40.21	400.88	10.20	-30.01
CCS(=O)(=O)NCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094720	0	44	0.0	-63.25	345.13	2.36	-60.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNS(C)(=O)=O)CC1	REAL300003094721	0	44	0.0	-47.23	342.58	2.12	-45.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC(O)C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300003094722	0	62	0.0	-52.90	453.39	9.82	-43.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(CC3=CC=C(F)C=C3)=N2)CC1	REAL300003094723	1	49	0.0	-39.30	393.03	10.34	-28.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(F)F)C=C2)CC1	REAL300003094724	0	43	0.0	-42.03	331.68	8.79	-33.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCC(C)CC3)N=C2)CC1	REAL300003094725	0	57	0.0	-37.31	408.89	9.07	-28.24
COC1=CC=C(CN2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=N2)C=C1	REAL300003094726	0	54	0.0	-41.66	412.17	8.84	-32.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCCC3)N=C2)CC1	REAL300003094727	0	51	0.0	-38.20	371.31	7.73	-30.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3C=NC4=CC=CC=C43)C=C2)CC1	REAL300003094728	0	53	0.0	-43.89	403.63	12.56	-31.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1	REAL300003094729	0	52	0.0	-46.10	377.45	3.67	-42.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCCC3)N=N2)CC1	REAL300003094730	0	50	0.0	-35.38	367.56	7.14	-28.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2=CC=CC=C2)N2CCN(C)CC2)CC1	REAL300003094731	0	60	0.0	-37.89	426.86	7.33	-30.56
CC(CC(=O)[O-])N1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	REAL300003094732	1	59	0.0	-68.97	396.99	6.46	-62.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CNC3=N2)CC1	REAL300003094733	1	43	0.0	-45.08	326.21	8.10	-36.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C(F)F)=NN2)CC1	REAL300003094734	0	40	0.0	-41.22	313.51	5.61	-35.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3N=CN(C)C3=NC=C2)CC1	REAL300003094735	0	45	0.0	-45.63	344.75	8.52	-37.11
CCC(C(=O)N1CCN(C(C)CC(=O)[O-])CC1)[NH+](CC)CC	REAL300003094736	0	53	0.0	-59.36	361.20	7.12	-52.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(N3C=CC=N3)=C2)CC1	REAL300003094737	0	46	0.0	-44.27	353.54	8.40	-35.87
CC(C)CC1=CC=C([C@H](C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094739	0	58	0.0	-36.04	419.63	11.96	-24.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1	REAL300003094740	0	51	0.0	-39.19	367.46	6.52	-32.67
CCNC1=CC=C(Cl)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094741	0	48	0.0	-36.62	369.76	8.29	-28.33
CNC1=CC(Cl)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094742	0	45	0.0	-36.75	348.27	7.50	-29.25
CC(C)CCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=N1	REAL300003094743	1	51	0.0	-37.63	379.64	7.79	-29.84
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1CC	REAL300003094744	1	48	0.0	-36.37	352.14	6.78	-29.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=CO3)S2)CC1	REAL300003094745	1	40	0.0	-39.88	316.68	7.25	-32.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2CCN(C3=CC=CC=N3)CC2)CC1	REAL300003094746	0	56	0.0	-44.00	405.71	6.66	-37.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNC(C3=CC=CC=C3)=N2)CC1	REAL300003094747	0	47	0.0	-37.10	358.95	9.27	-27.83
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300003094748	1	61	0.0	-66.70	434.43	10.47	-56.23
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300003094748	1	61	0.0	-66.80	436.57	10.93	-55.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNN=C2C2=CC=CC=C2Cl)CC1	REAL300003094749	0	47	0.0	-46.84	368.00	8.57	-38.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNN=C2C2=CC=CC(Cl)=C2)CC1	REAL300003094750	0	47	0.0	-45.89	375.86	8.44	-37.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3Br)CC2)CC1	REAL300003094751	0	47	0.0	-40.29	357.61	10.61	-29.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3=CC=CN=C3)S2)CC1	REAL300003094752	1	45	0.0	-38.81	356.56	7.00	-31.81
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300003094753	0	49	0.0	-43.89	394.08	10.65	-33.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOC2=CC=C3CCCCC3=C2)CC1	REAL300003094754	0	60	0.0	-56.14	441.28	11.91	-44.23
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC2=C(Cl)C=CC=C12	REAL300003094755	0	47	0.0	-38.65	373.50	9.06	-29.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3=CC=CC=C3)N(CCO)N=C2)CC1	REAL300003094756	0	54	0.0	-39.68	402.74	6.43	-33.25
CCC(O)(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300003094757	0	50	0.0	-38.24	367.33	7.77	-30.47
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC(Cl)=CC=C2N1	REAL300003094758	0	47	0.0	-38.73	374.24	9.26	-29.47
CCCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1CCCC1	REAL300003094759	0	59	0.0	-38.39	426.01	10.53	-27.86
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1CCCC1	REAL300003094760	0	56	0.0	-37.80	404.53	9.77	-28.03
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1CCCCC1	REAL300003094761	0	56	0.0	-39.37	406.29	9.71	-29.66
CCCCN1N=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003094762	0	52	0.0	-39.59	387.06	8.66	-30.93
CCCCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=N1	REAL300003094763	0	52	0.0	-39.79	386.93	8.75	-31.04
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C(CC)CC	REAL300003094764	0	58	0.0	-37.57	415.90	9.79	-27.78
COC1=CC=CN=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094766	0	46	0.0	-42.77	347.49	6.47	-36.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3(O)CCOCC3)OC=C2)CC1	REAL300003094767	1	52	0.0	-39.44	377.32	5.40	-34.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2=CN=CN2C)N(C)C)CC1	REAL300003094768	0	51	0.0	-39.89	371.08	7.25	-32.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=C(C2)N(C)N=N3)CC1	REAL300003094769	0	49	0.0	-46.48	359.45	6.89	-39.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3=NN(C)C=C32)CC1	REAL300003094770	0	50	0.0	-56.61	364.37	8.04	-48.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H](C)OC2=CC=C(Br)C=C2)CC1	REAL300003094771	0	47	0.0	-42.34	368.33	9.85	-32.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2=CN(C)N=C2)CC1	REAL300003094772	0	44	0.0	-45.36	330.81	4.37	-40.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2C2(C)CC2)CC1	REAL300003094774	0	50	0.0	-36.06	365.87	10.46	-25.60
CCC(C)(C)C1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094775	0	55	0.0	-36.80	379.13	10.96	-25.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OCC3=CC=CN=C3)C=C2)CC1	REAL300003094776	0	53	0.0	-42.11	403.19	9.40	-32.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2OCC2=CC=NC=C2)CC1	REAL300003094777	0	53	0.0	-42.07	405.63	9.74	-32.33
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1CC1=CC=CC=N1	REAL300003094778	0	56	0.0	-39.58	419.20	10.82	-28.76
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300003094779	0	49	0.0	-42.16	375.39	9.27	-32.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=CC=NC2=O)CC1	REAL300003094780	0	42	0.0	-59.95	323.10	5.40	-54.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(CN3CCOCC3)=C2)CC1	REAL300003094781	0	56	0.0	-38.53	407.77	7.01	-31.52
CCC[NH+](CCC)CCCC(=O)N1CCN(C(C)CC(=O)[O-])CC1	REAL300003094782	1	59	0.0	-72.14	419.35	8.95	-63.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2=CC=CC=C2)N2CCC(O)CC2)CC1	REAL300003094783	0	59	0.0	-42.26	416.71	5.85	-36.41
CCN(C)C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003094784	0	54	0.0	-51.68	393.11	8.62	-43.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(C3=NNC=N3)=N2)CC1	REAL300003094785	0	45	0.0	-53.23	364.48	7.04	-46.19
CCN1N=C(C)C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003094786	0	52	0.0	-47.80	386.77	8.60	-39.20
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300003094787	0	52	0.0	-63.47	400.64	6.83	-56.64
CC[NH+](CC)C(C(=O)N1CCN(C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003094788	0	57	0.0	-64.71	398.13	9.14	-55.57
CC(C)COC1=NC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094789	1	52	0.0	-40.50	390.54	7.50	-33.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN3CCCNC3=N2)CC1	REAL300003094790	1	45	0.0	-42.21	334.48	7.74	-34.47
CSCCCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094791	0	46	0.0	-52.26	354.90	8.83	-43.43
CSC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003094792	1	47	0.0	-38.01	362.82	9.94	-28.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=C(Cl)C=N2)CC1	REAL300003094793	0	40	0.0	-47.66	321.41	6.83	-40.83
COC1=CC=CC(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2)=C1	REAL300003094794	0	51	0.0	-36.41	377.84	9.15	-27.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1	REAL300003094795	0	46	0.0	-60.80	358.41	1.88	-58.92
CC(C)C1=NC=CN1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094796	0	49	0.0	-48.37	366.58	8.82	-39.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC(C3CC3)=N2)CC1	REAL300003094797	1	43	0.0	-36.59	329.02	6.09	-30.50
CNC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003094798	1	41	0.0	-36.46	321.18	5.83	-30.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3CC3)NC2=O)CC1	REAL300003094799	0	46	0.0	-41.41	349.06	6.40	-35.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2=CC=C(Cl)C=C2)N(C)C)CC1	REAL300003094800	0	51	0.0	-39.87	387.08	8.24	-31.63
CCN1N=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C1=CC=CC=C1	REAL300003094801	0	53	0.0	-38.23	391.34	9.81	-28.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(COC(C)(C)C)=C2)CC1	REAL300003094802	1	52	0.0	-37.14	386.91	7.83	-29.31
CC=CCOC1=CC=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094803	0	54	0.0	-42.01	410.26	10.62	-31.39
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1CCC(C)C	REAL300003094804	0	55	0.0	-39.49	404.63	9.16	-30.33
CC(C)CC1=CC=CC(C(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094805	0	58	0.0	-40.39	422.13	12.07	-28.32
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094806	0	50	0.0	-44.99	383.45	9.73	-35.26
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(OC(F)F)=C1	REAL300003094807	0	48	0.0	-43.61	364.66	7.79	-35.82
COCCOC1=CC=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094808	0	54	0.0	-44.01	409.28	8.45	-35.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC(F)F)C(F)=C2)CC1	REAL300003094809	0	44	0.0	-54.71	345.74	7.57	-47.14
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1=CC=C(F)C=C1	REAL300003094810	0	50	0.0	-37.69	384.70	10.25	-27.44
CC(C)C1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1=CC=CC=C1	REAL300003094811	0	56	0.0	-36.69	414.20	11.24	-25.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CCC3=CC=CC=C3)N=N2)CC1	REAL300003094812	1	52	0.0	-38.39	400.48	9.53	-28.86
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300003094813	1	55	0.0	-75.35	403.60	9.31	-66.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOC2=CC=C3CCCC3=C2)CC1	REAL300003094814	0	57	0.0	-56.50	424.10	11.33	-45.17
CC1=NN(CC(F)F)C(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094815	0	49	0.0	-53.61	384.90	8.10	-45.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NCC3=CN(C)N=C3)C=C2)CC1	REAL300003094816	0	55	0.0	-42.52	416.22	8.30	-34.22
CC1=NN(C(C)C)C(C)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094817	0	55	0.0	-47.55	407.36	9.29	-38.26
CCSCC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NO1	REAL300003094818	1	46	0.0	-37.64	363.28	8.76	-28.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(F)=CC=C2N2C=CC=N2)CC1	REAL300003094819	0	47	0.0	-38.98	359.95	9.64	-29.34
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300003094820	1	58	0.0	-74.52	419.34	10.02	-64.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNN=C2C(C)(C)C)CC1	REAL300003094821	0	49	0.0	-39.16	354.94	6.76	-32.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCCN2C=NC3=C(N)N=CN=C32)CC1	REAL300003094822	0	55	0.0	-59.28	423.67	9.97	-49.31
CCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)N1CCOC(CC)C1	REAL300003094823	0	58	0.0	-41.32	401.88	6.63	-34.69
CCN(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)CC1=CC=CC=C1Cl	REAL300003094824	0	54	0.0	-41.05	404.92	9.16	-31.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCN(CC(F)(F)F)CC2)CC1	REAL300003094825	0	54	0.0	-43.08	388.39	7.45	-35.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN(CC(F)F)C2)CC1	REAL300003094827	0	51	0.0	-39.96	368.48	6.90	-33.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3=C2NN=N3)CC1	REAL300003094828	0	46	0.0	-61.65	340.36	5.53	-56.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C2=NC=CN2)C2=CC=CC=C2)CC1	REAL300003094829	0	53	0.0	-45.84	393.24	10.18	-35.66
CC1=NC=CC=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094830	0	45	0.0	-43.81	335.96	7.62	-36.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC3=CC(O)=CC=C23)CC1	REAL300003094831	0	44	0.0	-43.47	337.85	5.54	-37.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)CC(C)(C)C)CC1	REAL300003094832	0	54	0.0	-50.45	352.07	9.20	-41.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CC(C)OC(C)C3)N=C2)CC1	REAL300003094833	0	58	0.0	-38.62	421.59	7.51	-31.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(C3=CC=CC=C3)=C2)CC1	REAL300003094834	0	49	0.0	-38.66	367.36	9.44	-29.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN(C)C2=NC3=CC=CC=C3S2)CC1	REAL300003094835	0	50	0.0	-43.85	391.55	10.00	-33.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(NC3=NC=CC=N3)=C2)CC1	REAL300003094836	0	50	0.0	-57.57	384.64	10.46	-47.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC(C)C3=CC=CC=C3)N=C2)CC1	REAL300003094837	0	56	0.0	-40.56	426.95	9.55	-31.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H](O)CC2=CC=CC=C2)CC1	REAL300003094838	0	47	0.0	-40.87	351.69	7.42	-33.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H](O)C2=CC=CC=C2)CC1	REAL300003094839	0	44	0.0	-38.12	326.59	6.64	-31.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003094840	0	47	0.0	-40.59	364.16	7.71	-32.88
COC1=CC(C)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094841	0	47	0.0	-39.53	351.05	8.33	-31.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H](O)C2=CC=CC=C2)CC1	REAL300003094842	0	44	0.0	-39.72	325.25	6.66	-33.06
CC1=CC=C(F)C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094843	0	46	0.0	-41.33	350.98	9.64	-31.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(O)=CC=C2Cl)CC1	REAL300003094844	0	41	0.0	-39.88	326.29	5.62	-34.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2=CC=CN=C2)CC1	REAL300003094845	0	43	0.0	-42.88	321.53	4.84	-38.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CN(CC3=CC=CC=C3)CCO2)CC1	REAL300003094846	0	59	0.0	-44.63	431.83	8.98	-35.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2CN2CCOCC2)CC1	REAL300003094847	0	56	0.0	-37.50	405.45	7.94	-29.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C=CC=NN32)CC1	REAL300003094848	0	43	0.0	-38.72	323.27	8.31	-30.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3NC=CC(=O)N3N=C2)CC1	REAL300003094849	1	43	0.0	-53.42	334.49	5.81	-47.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3C=CC=NN23)CC1	REAL300003094850	0	42	0.0	-45.10	320.98	6.52	-38.58
CC1=CC(C(F)(F)F)=NN1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094851	0	46	0.0	-49.79	367.26	7.77	-42.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(OCC(F)(F)F)=C2)CC1	REAL300003094852	0	47	0.0	-42.53	367.89	8.57	-33.96
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CNC2=CC=CC=C12	REAL300003094853	0	53	0.0	-55.25	396.59	10.40	-44.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(C3=CC=CC(O)=C3)=C2)CC1	REAL300003094854	1	47	0.0	-38.29	365.92	6.71	-31.58
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094855	0	60	0.0	-35.99	427.45	10.48	-25.51
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094856	0	60	0.0	-35.86	426.35	10.42	-25.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(OCC3=CC=CC=C3)C2)CC1	REAL300003094857	0	54	0.0	-43.31	405.52	10.24	-33.07
CC(CC(=O)[O-])N1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300003094858	0	58	0.0	-62.20	418.11	10.23	-51.97
CC(CC(=O)[O-])N1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300003094858	1	58	0.0	-63.42	405.89	9.20	-54.22
CC(OC1=CC=CC(CO)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094859	0	51	0.0	-47.46	379.12	6.55	-40.91
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=NC=C1	REAL300003094860	0	49	0.0	-40.40	372.69	7.80	-32.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNC=C2C2=CC=CC=C2F)CC1	REAL300003094861	0	48	0.0	-42.99	371.63	9.54	-33.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNN=C2C2=CN(C)N=C2)CC1	REAL300003094862	0	47	0.0	-44.55	364.03	5.78	-38.77
CCN1C=C(C2=NNC=C2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003094863	0	50	0.0	-44.31	385.51	6.65	-37.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C2=CN(C)N=C2)CC1	REAL300003094864	0	50	0.0	-50.84	387.39	7.12	-43.72
CCN1C=C(C2=NN(C)C=C2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003094865	0	53	0.0	-50.61	408.91	8.02	-42.59
CCN1C=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003094866	0	46	0.0	-46.93	348.44	7.64	-39.29
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CN(C)C2=CC=CC=C12	REAL300003094867	0	53	0.0	-35.59	394.37	11.11	-24.48
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300003094868	1	58	0.0	-75.86	417.71	9.45	-66.41
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC(C2=CC(C)=CC=C2)=N1	REAL300003094869	0	53	0.0	-41.04	405.33	9.69	-31.35
CC1=NC2=CC=CC=C2N1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094870	0	49	0.0	-52.85	372.29	9.78	-43.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C3OC(F)(F)OC3=C2)CC1	REAL300003094871	0	46	0.0	-46.98	363.63	8.08	-38.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN(S(N)(=O)=O)C2)CC1	REAL300003094872	0	50	0.0	-43.45	370.90	2.08	-41.37
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094873	0	54	0.0	-46.25	392.14	4.93	-41.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)C2OCCC3=C2C=CS3)CC1	REAL300003094874	0	51	0.0	-42.87	378.47	9.74	-33.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC(N)=NC(N3CCOCC3)=N2)CC1	REAL300003094875	1	52	0.0	-39.37	387.94	7.39	-31.98
CC1=CN2C=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=N1	REAL300003094876	0	46	0.0	-44.64	352.59	9.29	-35.35
CNC1=CC=C(Cl)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094877	0	45	0.0	-37.88	350.26	7.27	-30.61
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(CO)=NO1	REAL300003094878	1	43	0.0	-40.05	334.94	3.69	-36.36
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CN1C	REAL300003094879	0	47	0.0	-38.24	344.46	8.79	-29.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN=C2C2=CN(C)N=C2)CC1	REAL300003094880	0	49	0.0	-47.57	374.91	7.35	-40.22
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)CC1	REAL300003094882	1	54	0.0	-77.47	401.28	9.01	-68.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C#N)CCSCC2)CC1	REAL300003094883	0	45	0.0	-36.56	332.23	7.33	-29.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2CC(C)(C)C)CC1	REAL300003094884	0	55	0.0	-36.55	382.41	10.77	-25.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C4OCOC4=C3)CC2)CC1	REAL300003094885	0	50	0.0	-44.21	374.27	8.49	-35.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@]23C[C@H]2COC32CCC2)CC1	REAL300003094886	0	49	0.0	-56.24	344.42	7.47	-48.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CCC3(CC2)OCCO3)CC1	REAL300003094887	0	55	0.0	-40.59	374.03	7.16	-33.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC3=C2C(=O)CCC3)CC1	REAL300003094888	1	46	0.0	-49.13	343.05	9.01	-40.12
CC(C)CC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094889	0	56	0.0	-39.99	414.11	12.14	-27.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC(NS(C)(=O)=O)=C2)CC1	REAL300003094890	0	51	0.0	-50.45	397.68	5.69	-44.76
CC1=NC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)S1	REAL300003094891	0	45	0.0	-43.64	350.37	7.36	-36.28
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(=O)N1	REAL300003094892	0	43	0.0	-46.95	323.38	5.37	-41.58
COC1=CC=C(C2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=CO2)C=C1	REAL300003094893	0	50	0.0	-40.34	388.63	5.96	-34.38
CNC1=NC(C)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094894	0	47	0.0	-39.13	350.09	6.94	-32.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CN(CC3=CC=CC=C3)CCO2)CC1	REAL300003094895	0	56	0.0	-41.26	407.35	8.22	-33.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NN2C2=CC=CC=C2)CC1	REAL300003094896	0	47	0.0	-40.73	352.49	9.00	-31.73
COC1=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(OC)=C1O	REAL300003094897	0	52	0.0	-50.30	393.58	5.99	-44.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1	REAL300003094898	0	43	0.0	-50.10	318.29	7.47	-42.63
COCCS(=O)(=O)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094899	1	46	0.0	-54.89	360.70	2.99	-51.90
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OCCO	REAL300003094900	0	52	0.0	-43.81	390.95	5.02	-38.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN(C)C2=C3NC=NC3=NC=N2)CC1	REAL300003094901	0	49	0.0	-48.66	365.64	7.74	-40.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC=CC=N2)CC1	REAL300003094902	0	48	0.0	-45.83	361.16	8.79	-37.04
CC(C)NC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003094903	0	50	0.0	-37.67	367.84	7.17	-30.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCCC3)C(F)=C2)CC1	REAL300003094904	0	52	0.0	-38.85	377.08	8.43	-30.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCOCC3)C(F)=C2)CC1	REAL300003094905	0	53	0.0	-40.38	391.27	7.02	-33.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(F)=CC=C2N2CCOCC2)CC1	REAL300003094906	0	53	0.0	-39.08	393.09	7.59	-31.49
COC1=CC=CC(C(O)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003094907	0	48	0.0	-40.06	354.60	6.00	-34.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=C(F)C=C3)CC2)CC1	REAL300003094908	0	50	0.0	-42.92	375.17	10.60	-32.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CO)CCOCC2)CC1	REAL300003094909	0	48	0.0	-41.80	331.14	2.72	-39.08
CC(C)C1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC=N1	REAL300003094910	1	45	0.0	-39.66	350.57	7.26	-32.40
COCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC=N1	REAL300003094911	1	43	0.0	-41.90	336.90	4.74	-37.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2CCCCC2)CC1	REAL300003094912	0	55	0.0	-37.10	365.79	9.45	-27.65
COCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCC1	REAL300003094913	0	50	0.0	-55.41	353.04	7.01	-48.40
COCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCOCC1	REAL300003094914	0	51	0.0	-40.84	352.96	5.15	-35.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC3=NNN=C3C=C2)CC1	REAL300003094915	0	41	0.0	-37.24	314.23	5.31	-31.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN3CCCC3=C2)CC1	REAL300003094916	0	44	0.0	-38.67	325.78	7.15	-31.52
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC=N1	REAL300003094917	1	42	0.0	-38.71	322.51	6.41	-32.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC=CC=C2Cl)CC1	REAL300003094918	0	49	0.0	-43.07	379.65	10.94	-32.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C(C)(C)C)N=N2)CC1	REAL300003094919	1	48	0.0	-37.54	358.08	6.83	-30.71
CC(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003094920	1	42	0.0	-39.65	327.12	7.00	-32.65
CC1=CN2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=CC2=C1	REAL300003094921	0	47	0.0	-53.08	361.66	10.48	-42.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2C2=CNN=C2)CC1	REAL300003094922	0	47	0.0	-41.17	357.19	7.94	-33.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2OC2CC2)CC1	REAL300003094923	0	48	0.0	-39.04	359.65	9.28	-29.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(OC(F)F)=C2)CC1	REAL300003094924	0	43	0.0	-42.28	335.93	5.34	-36.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC3=CC=CN=C3S2)CC1	REAL300003094925	1	41	0.0	-41.62	326.99	5.57	-36.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC(F)(F)F)N=C2)CC1	REAL300003094926	0	43	0.0	-43.28	340.15	7.02	-36.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=NC=CN3N=C2)CC1	REAL300003094927	0	42	0.0	-41.59	324.11	5.94	-35.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN3CCOC3=C2)CC1	REAL300003094928	1	42	0.0	-40.00	317.29	4.29	-35.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=NNN=C3N=C2)CC1	REAL300003094929	0	41	0.0	-58.84	317.19	4.53	-54.31
CCC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003094930	0	45	0.0	-35.56	335.70	8.41	-27.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CC=NN3N=C2)CC1	REAL300003094931	0	42	0.0	-44.65	320.78	5.95	-38.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)C3=CC=C(F)C=C23)CC1	REAL300003094932	0	47	0.0	-43.81	360.68	9.78	-34.03
COC1=CC=C2CCC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=C1	REAL300003094933	0	51	0.0	-43.42	376.40	9.20	-34.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C(F)F)CC1	REAL300003094934	0	43	0.0	-42.10	335.12	6.60	-35.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C3CCCCC3)=N2)CC1	REAL300003094935	1	52	0.0	-34.62	388.32	9.73	-24.89
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(C2CCCCC2)=N1	REAL300003094936	1	55	0.0	-38.80	405.38	9.54	-29.26
COC1=CC=C2ON=C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=C1	REAL300003094937	0	49	0.0	-49.12	376.88	7.61	-41.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(S(=O)(=O)N(C)C)C=C2)CC1	REAL300003094938	0	54	0.0	-61.15	422.75	7.02	-54.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC=C2N2CCOCC2)CC1	REAL300003094939	0	59	0.0	-52.58	434.90	9.30	-43.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(O)C2=CC=C(Cl)C=C2)CC1	REAL300003094940	0	47	0.0	-43.91	368.91	8.03	-35.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(C)(C)OC3=CC=CC=C32)CC1	REAL300003094941	0	54	0.0	-43.45	388.60	9.75	-33.70
COCCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=N1	REAL300003094942	1	46	0.0	-38.04	352.75	4.80	-33.24
CCC(C)(C)OCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094943	0	49	0.0	-41.18	349.73	8.13	-33.05
COC1=CC=CC(N2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=N2)=C1	REAL300003094944	1	50	0.0	-40.16	382.94	7.53	-32.63
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC2=CC=CC=C2C=C1	REAL300003094945	0	52	0.0	-39.26	385.31	11.55	-27.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=C3OCOC3=C2)CC1	REAL300003094946	0	52	0.0	-38.86	368.88	8.15	-30.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(O)C2=CC=C(Cl)C=C2)CC1	REAL300003094947	0	47	0.0	-51.94	361.75	7.10	-44.84
CNC1=NC=NC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC=C21	REAL300003094948	0	49	0.0	-41.80	369.03	8.15	-33.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3=CC(Br)=CC=C3O2)CC1	REAL300003094949	0	45	0.0	-58.19	360.29	9.71	-48.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NCC3=CSC=C3)C=C2)CC1	REAL300003094951	0	52	0.0	-37.03	403.80	9.47	-27.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)N2CCSCC2)CC1	REAL300003094952	0	49	0.0	-40.45	355.26	6.58	-33.87
CC(C)CC1=CC=C(CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094953	0	61	0.0	-53.31	451.23	13.30	-40.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NCC3CC3)N=C2)CC1	REAL300003094954	0	51	0.0	-37.69	380.30	8.05	-29.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(SC(C)(C)C)=C2)CC1	REAL300003094956	0	52	0.0	-38.72	388.61	10.25	-28.47
COC1=CC=C(COCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094957	0	57	0.0	-57.39	433.61	9.19	-48.20
CC(CC(=O)[O-])N1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1	REAL300003094958	1	53	0.0	-65.34	370.16	7.50	-57.84
CC(CC(=O)[O-])N1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1	REAL300003094958	1	53	0.0	-66.71	367.80	6.94	-59.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(C3=NC=CN3)=C2)CC1	REAL300003094959	0	46	0.0	-40.72	353.48	6.57	-34.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN(C)CCC2=CC=CC=C2)CC1	REAL300003094960	0	54	0.0	-52.29	400.05	8.89	-43.40
COCCOCC[N@H+](C)CCC(=O)N1CCN(C(C)CC(=O)[O-])CC1	REAL300003094961	1	58	0.0	-69.93	428.55	5.62	-64.31
COCCOCC[N@@H+](C)CCC(=O)N1CCN(C(C)CC(=O)[O-])CC1	REAL300003094961	1	58	0.0	-70.59	428.41	5.23	-65.36
CC1=CN(C2CCOCC2)N=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094962	0	54	0.0	-37.59	393.55	7.86	-29.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=NC3=C2CCCC3)CC1	REAL300003094963	0	49	0.0	-48.87	362.53	7.40	-41.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1	REAL300003094964	1	42	0.0	-38.22	326.56	1.57	-36.65
CC(CC(=O)[O-])N1CCN(C(=O)CC2(O)CCC[N@H+](C)C2)CC1	REAL300003094965	1	52	0.0	-63.22	370.37	4.87	-58.35
CC(CC(=O)[O-])N1CCN(C(=O)CC2(O)CCC[N@@H+](C)C2)CC1	REAL300003094965	1	52	0.0	-66.56	360.84	5.13	-61.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC=CN3C=CN=C23)CC1	REAL300003094966	0	42	0.0	-45.47	320.15	7.76	-37.71
COCCOCCC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CN1	REAL300003094967	0	54	0.0	-37.96	411.43	6.15	-31.81
CC1=NC(C2CC2)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094968	0	49	0.0	-38.34	362.14	8.83	-29.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C#N)CCCCC2)CC1	REAL300003094969	0	47	0.0	-35.30	334.08	7.76	-27.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1	REAL300003094970	0	45	0.0	-41.76	338.72	8.41	-33.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C#N)CCCOC2)CC1	REAL300003094971	0	45	0.0	-52.92	329.86	5.61	-47.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN=C2N2CCOCC2)CC1	REAL300003094972	0	52	0.0	-40.57	383.80	6.50	-34.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1	REAL300003094973	0	50	0.0	-50.45	370.35	2.09	-48.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNS(=O)(=O)C2=CC=CN=C2)CC1	REAL300003094974	0	50	0.0	-61.86	398.32	3.60	-58.26
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=N1	REAL300003094975	0	43	0.0	-39.66	324.83	4.64	-35.02
CNC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003094976	0	44	0.0	-40.02	328.72	5.83	-34.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N(C)C)N=C2)CC1	REAL300003094977	0	47	0.0	-40.41	348.06	7.68	-32.73
CCCC1=NNC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094978	0	46	0.0	-41.35	339.55	6.44	-34.91
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300003094979	0	52	0.0	-40.56	392.92	10.17	-30.39
CC(C)C1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300003094980	0	55	0.0	-40.82	399.27	10.43	-30.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NNC3=C2CCC3)CC1	REAL300003094981	0	44	0.0	-37.82	324.56	6.89	-30.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCCN2CC2=CC=NC=C2)CC1	REAL300003094982	0	57	0.0	-40.26	400.48	7.87	-32.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCCN2CC2=CC=CN=C2)CC1	REAL300003094983	0	57	0.0	-42.27	410.18	7.87	-34.40
CC1=NNC(C)=C1C(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094984	0	49	0.0	-44.21	351.27	6.64	-37.57
CCCCCC[N@H+](C)CC(=O)N1CCN(C(C)CC(=O)[O-])CC1	REAL300003094985	1	56	0.0	-67.42	404.10	8.71	-58.71
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(C)CC(=O)[O-])CC1	REAL300003094985	1	56	0.0	-67.29	404.11	8.71	-58.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC2=CC=CC=N2)CC1	REAL300003094986	0	44	0.0	-45.27	331.76	6.32	-38.95
COC1=CC(C)=CN=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094987	1	46	0.0	-37.41	342.33	8.24	-29.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC=C(C(C)(C)C)O2)CC1	REAL300003094988	0	54	0.0	-41.70	403.96	7.25	-34.45
CSC1=CC=CC=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094989	0	47	0.0	-39.24	361.50	9.89	-29.35
CCC1=NN(C)C(CC)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094990	0	55	0.0	-47.26	407.10	9.21	-38.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COCC2CCCC2)CC1	REAL300003094991	0	50	0.0	-54.65	367.11	9.12	-45.53
CCSC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003094992	0	50	0.0	-55.54	388.86	10.89	-44.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=CC=CC(O)=C32)CC1	REAL300003094994	0	47	0.0	-42.05	351.90	8.87	-33.18
CC(CC(=O)[O-])N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300003094995	0	49	0.0	-61.88	337.23	5.82	-56.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(O)C3=CC=CC=C3C=N2)CC1	REAL300003094996	1	46	0.0	-36.02	346.93	7.95	-28.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN=C2C2CC2)CC1	REAL300003094997	0	46	0.0	-38.75	344.43	8.44	-30.31
CC1=CC=CC(Cl)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003094998	0	46	0.0	-39.83	355.38	9.94	-29.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3OCCCN3N=C2)CC1	REAL300003094999	1	45	0.0	-42.73	336.85	4.99	-37.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CN=CC(O)=C2)CC1	REAL300003095000	0	43	0.0	-47.30	330.14	4.32	-42.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CCC(=O)CC2)CC1	REAL300003095001	0	48	0.0	-42.01	331.00	7.37	-34.64
CCOC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CO1	REAL300003095002	1	43	0.0	-36.58	330.33	4.13	-32.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CN=CN3C=C2)CC1	REAL300003095003	0	43	0.0	-42.93	331.20	9.57	-33.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C)C(OC(F)F)=C2)CC1	REAL300003095004	1	44	0.0	-40.81	343.89	5.21	-35.60
CC(C)C1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003095005	0	48	0.0	-36.26	353.65	8.81	-27.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC(F)F)C=N2)CC1	REAL300003095006	0	43	0.0	-37.33	332.72	6.55	-30.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2CCOCC2)CC1	REAL300003095007	0	53	0.0	-42.10	355.99	6.98	-35.12
CCC1=CC=CC=C1N1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=N1	REAL300003095008	1	52	0.0	-37.92	388.64	9.73	-28.19
CC1=CC(F)=CC=C1N1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=N1	REAL300003095009	1	49	0.0	-38.03	375.52	9.01	-29.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=COC3=CC(F)=CC=C23)CC1	REAL300003095010	0	46	0.0	-47.21	358.40	9.38	-37.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC1	REAL300003095011	0	49	0.0	-62.46	379.36	3.83	-58.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(NCC3=CC=CC=N3)=C2)CC1	REAL300003095012	0	54	0.0	-40.12	408.33	8.64	-31.48
CC(C)S(=O)(=O)C1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1	REAL300003095013	1	52	0.0	-45.08	396.76	6.91	-38.17
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095014	0	50	0.0	-40.60	383.05	8.35	-32.25
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(C2=CC=CC=C2C)=N1	REAL300003095015	1	52	0.0	-37.62	398.86	10.79	-26.83
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003095016	1	51	0.0	-43.49	396.82	8.61	-34.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300003095017	1	48	0.0	-37.51	382.64	10.47	-27.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2CCOC2)CC1	REAL300003095018	0	45	0.0	-44.90	333.99	5.83	-39.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(OCC3=CC=CC=N3)C=C2)CC1	REAL300003095019	0	56	0.0	-57.46	431.21	10.61	-46.85
CC(OC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1)C1=CC=CC=C1	REAL300003095020	0	57	0.0	-38.57	428.04	11.89	-26.68
CC(C)CN1C=CC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=CC=C21	REAL300003095022	0	56	0.0	-40.44	406.15	11.55	-28.89
CC1=CC=C(C2=CNC=C2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003095023	0	48	0.0	-41.89	377.36	9.48	-32.41
CC1=CC=CC=C1N1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=N1	REAL300003095024	1	49	0.0	-37.40	368.75	8.95	-28.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C3=C(F)C=CC=C3F)=C2)CC1	REAL300003095025	0	50	0.0	-40.50	390.83	11.64	-28.86
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C(C(C)C)O1	REAL300003095026	1	48	0.0	-35.87	358.09	6.71	-29.16
CC(OCC1=CC=NC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095027	0	49	0.0	-46.73	369.43	8.08	-38.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CN=CN2C)CC1	REAL300003095028	0	47	0.0	-56.35	357.80	9.52	-46.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC(O)CO)N=C2)CC1	REAL300003095029	0	48	0.0	-44.51	366.42	0.89	-43.62
CCC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C1	REAL300003095030	0	48	0.0	-44.09	360.36	8.79	-35.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C)C3=C2CCCC3)CC1	REAL300003095031	0	50	0.0	-37.37	361.24	8.67	-28.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(CO)=N2)CC1	REAL300003095032	1	40	0.0	-37.99	316.86	3.16	-34.83
CCON1CCC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003095033	0	55	0.0	-42.44	389.28	7.34	-35.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CN=C2)CC1	REAL300003095034	0	46	0.0	-39.83	345.98	8.48	-31.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC=CC=C2N(C)C)CC1	REAL300003095035	0	47	0.0	-35.87	345.83	7.70	-28.17
CC(C)[NH+]1CCN(CCC(=O)N2CCN(C(C)CC(=O)[O-])CC2)CC1	REAL300003095036	1	59	0.0	-67.49	415.57	5.77	-61.72
CC(CC(=O)[O-])N1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300003095038	0	52	0.0	-61.43	357.87	7.48	-53.95
CC(CC(=O)[O-])N1CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300003095038	1	52	0.0	-62.23	353.25	7.07	-55.16
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095039	0	57	0.0	-43.52	409.63	10.39	-33.13
CC(CC(=O)[O-])N1CCN(C(=O)C2=CN(CC[NH+](C)C)N=C2)CC1	REAL300003095040	1	51	0.0	-75.97	381.19	5.67	-70.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C#N)CC23CCCC3)CC1	REAL300003095041	0	48	0.0	-40.59	356.47	9.00	-31.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C#N)CC3CCC2CC3)CC1	REAL300003095042	0	51	0.0	-41.73	352.15	8.82	-32.91
CC1=NN(C)C2=NC(C)=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C12	REAL300003095043	0	51	0.0	-42.45	384.64	8.34	-34.11
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC2=NC=CC(C)=C12	REAL300003095044	1	48	0.0	-40.43	363.59	8.65	-31.78
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C	REAL300003095045	0	46	0.0	-38.51	342.31	6.94	-31.57
CCCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C	REAL300003095046	0	49	0.0	-38.43	363.81	7.72	-30.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)(F)F)N(C)N=C2)CC1	REAL300003095047	1	43	0.0	-39.06	330.83	6.46	-32.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC2=CC=CC(Cl)=C2)CC1	REAL300003095048	0	45	0.0	-55.43	356.80	7.78	-47.65
CC(CC(=O)[O-])N1CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300003095049	1	60	0.0	-76.07	434.02	8.35	-67.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNN=C2C2=CC=NC=C2)CC1	REAL300003095050	0	46	0.0	-42.19	347.54	6.15	-36.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CC(F)=C3)=NO2)CC1	REAL300003095051	1	46	0.0	-38.05	360.87	9.14	-28.91
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300003095052	1	57	0.0	-72.77	413.39	8.27	-64.50
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300003095052	1	57	0.0	-73.23	415.96	8.28	-64.95
CC(=O)C1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003095053	0	48	0.0	-60.00	367.70	9.41	-50.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNS(=O)(=O)C2=CN(C)N=C2)CC1	REAL300003095054	0	48	0.0	-49.49	382.91	2.32	-47.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(C3=CN(C)N=C3)=C2)CC1	REAL300003095055	0	49	0.0	-42.57	372.85	7.32	-35.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC3=CC=CNC3=N2)CC1	REAL300003095056	0	48	0.0	-64.99	368.69	8.01	-56.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)N2CCC3=CC=CC=C3C2)CC1	REAL300003095057	0	55	0.0	-38.11	387.36	8.33	-29.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC=CN3C=CN=C23)CC1	REAL300003095058	0	42	0.0	-45.47	320.15	7.76	-37.71
CC1=NC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C1C	REAL300003095059	0	47	0.0	-38.27	352.08	6.17	-32.10
CC1=CC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=C2C=C1	REAL300003095060	0	48	0.0	-34.47	360.33	9.87	-24.60
CC1=CN=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095061	0	48	0.0	-53.72	364.88	8.69	-45.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC3=CN=CC=C3S2)CC1	REAL300003095062	1	41	0.0	-37.42	327.12	6.60	-30.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC2C2=CC=CC=C2)CC1	REAL300003095063	0	53	0.0	-39.16	376.78	11.00	-28.16
COC1=CC=C2OC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=C1	REAL300003095064	0	47	0.0	-43.35	359.00	7.74	-35.61
CC1=CN=C(COCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003095065	0	46	0.0	-50.21	355.96	4.93	-45.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC3=NNN=C32)CC1	REAL300003095066	0	41	0.0	-45.77	315.81	4.65	-41.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN3CCCOC3=C2)CC1	REAL300003095067	1	45	0.0	-40.14	335.41	5.38	-34.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3OCC(C)(C)C3=C2)CC1	REAL300003095068	0	51	0.0	-39.19	374.20	8.86	-30.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNC=C2C2=CC=C(F)C=C2)CC1	REAL300003095069	0	48	0.0	-47.13	373.67	9.63	-37.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC23CCOC2=CC=CC=C23)CC1	REAL300003095070	0	52	0.0	-41.50	375.45	10.20	-31.30
CC1=CC(Br)=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095071	0	43	0.0	-50.05	343.03	9.17	-40.88
COC(CC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095072	0	50	0.0	-43.68	365.19	9.26	-34.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2=CC=CC=C2F)N2CCOCC2)CC1	REAL300003095073	0	56	0.0	-44.44	407.52	7.94	-36.50
CCC(CC)C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)N1CCOCC1	REAL300003095074	0	61	0.0	-37.50	401.28	8.55	-28.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=NNC(C4CC4)=N3)C=C2)CC1	REAL300003095075	0	53	0.0	-42.07	404.40	10.11	-31.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(C3=CC=C(N(C)C)C=C3)=C2)CC1	REAL300003095076	0	57	0.0	-39.28	417.61	9.95	-29.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=NC(C(F)(F)F)=CN3C=C2)CC1	REAL300003095077	0	46	0.0	-46.75	371.79	9.66	-37.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3C=C(C(F)(F)F)N=C3C=C2)CC1	REAL300003095078	0	46	0.0	-59.75	374.98	9.66	-50.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3N=CC(Br)=CN3N=C2)CC1	REAL300003095079	0	42	0.0	-43.04	342.52	7.39	-35.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=C4OCCC4=C3)=NO2)CC1	REAL300003095080	1	51	0.0	-40.56	391.66	9.01	-31.55
CC(CC(=O)[O-])N1CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300003095081	1	58	0.0	-74.44	425.42	10.24	-64.20
CC(CC(=O)[O-])N1CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300003095081	1	58	0.0	-75.61	424.18	10.18	-65.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3N=CSC3=CC=C2)CC1	REAL300003095082	0	42	0.0	-41.28	331.32	7.35	-33.93
COCCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=N1	REAL300003095083	0	50	0.0	-39.99	377.60	6.27	-33.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(OCC3=CC=CC=C3)C=N2)CC1	REAL300003095084	1	52	0.0	-35.13	402.11	7.73	-27.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3CSCC(C2)C3=O)CC1	REAL300003095085	0	50	0.0	-42.41	358.49	8.39	-34.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=N3)CC2)CC1	REAL300003095086	0	46	0.0	-37.80	344.08	8.38	-29.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CS(=O)(=O)C2CC2)CC1	REAL300003095087	1	43	0.0	-53.46	336.16	4.79	-48.67
CC1=CC=C(C(C)C(O)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003095088	0	53	0.0	-52.92	385.63	8.91	-44.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(O)C(C)C2=CC=CC=C2)CC1	REAL300003095089	0	53	0.0	-37.40	373.81	7.97	-29.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(CC3=CC=CC=C3)C=C2)CC1	REAL300003095090	0	50	0.0	-39.40	383.24	10.17	-29.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3CCCCC3)C=C2)CC1	REAL300003095091	0	53	0.0	-36.28	383.54	9.57	-26.71
CNC1=CN=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003095092	1	43	0.0	-35.53	323.08	4.90	-30.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(N(C)C)C=N2)CC1	REAL300003095093	1	46	0.0	-35.51	341.49	6.92	-28.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(OC3=CC=CC=C3)C=N2)CC1	REAL300003095094	1	49	0.0	-36.99	379.90	7.32	-29.67
CC(C)OC1=CN=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003095095	1	48	0.0	-34.06	362.33	5.60	-28.46
CC(CC(=O)[O-])N1CCN(C(=O)C2=NN(CC[NH+](C)C)C=C2)CC1	REAL300003095096	1	51	0.0	-77.25	382.56	6.83	-70.42
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=NN2CC[NH+](C)C)CC1	REAL300003095097	1	51	0.0	-67.49	376.05	6.17	-61.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)(F)F)N=C3CCCCN32)CC1	REAL300003095098	1	50	0.0	-46.88	386.79	9.06	-37.82
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1CC1=CC=CC=C1	REAL300003095099	1	55	0.0	-37.61	413.18	9.78	-27.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNN=C2C2CCOCC2)CC1	REAL300003095100	0	51	0.0	-41.23	374.18	5.82	-35.41
CCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2CCOCC2)=N1	REAL300003095101	0	57	0.0	-43.49	416.37	7.93	-35.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(C)(C)C)N=CN2)CC1	REAL300003095102	0	49	0.0	-41.02	351.32	8.20	-32.82
CCC1=NC=CN1C(C)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095103	0	52	0.0	-55.80	385.51	9.51	-46.29
CON1CCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003095104	0	49	0.0	-41.08	352.76	6.09	-34.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(NC3CCC3)=C2)CC1	REAL300003095105	0	51	0.0	-38.11	375.28	8.00	-30.11
CC[C@@H]1[C@@H](C(=O)N2CCN(C(C)CC(=O)[O-])CC2)CC[N@@H+]1C	REAL300003095106	1	51	0.0	-68.86	354.14	6.53	-62.33
CC[C@@H]1[C@@H](C(=O)N2CCN(C(C)CC(=O)[O-])CC2)CC[N@H+]1C	REAL300003095106	1	51	0.0	-69.79	358.78	6.40	-63.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3NC=NC3=CN=C2)CC1	REAL300003095107	0	42	0.0	-41.19	320.35	5.77	-35.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNC=C3N=CN=C32)CC1	REAL300003095107	1	42	0.0	-50.20	316.63	6.45	-43.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN3C=C(C(F)(F)F)N=C23)CC1	REAL300003095108	0	50	0.0	-44.19	379.28	9.53	-34.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(N3C=CN=C3)C=C2)CC1	REAL300003095111	0	50	0.0	-48.06	380.04	11.37	-36.69
CC1=CC=NC=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095112	0	45	0.0	-44.19	336.17	7.65	-36.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNC=C3N=C(C(F)(F)F)N=C32)CC1	REAL300003095113	0	45	0.0	-59.18	366.50	6.33	-52.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(C)C3=CC=CC=C32)CC1	REAL300003095114	0	52	0.0	-53.68	375.08	8.50	-45.18
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095115	0	50	0.0	-43.54	366.38	6.45	-37.09
CCC1=CNC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003095116	0	46	0.0	-48.03	345.97	7.06	-40.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3CCCCN3C(C(F)(F)F)=N2)CC1	REAL300003095117	0	50	0.0	-35.85	379.17	9.76	-26.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CN(C)CC(C)O2)CC1	REAL300003095118	0	49	0.0	-55.13	348.20	5.27	-49.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)C(=O)NC2=O)CC1	REAL300003095119	0	43	0.0	-45.41	333.58	4.24	-41.17
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(S(N)(=O)=O)=C(C)O1	REAL300003095120	1	48	0.0	-36.78	378.71	2.84	-33.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C(F)(F)F)=CNC2=O)CC1	REAL300003095121	0	43	0.0	-43.89	341.02	5.95	-37.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN=C2N(C)C)CC1	REAL300003095122	0	47	0.0	-40.76	350.94	6.91	-33.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=NN3C=CC=NC3=N2)CC1	REAL300003095123	0	44	0.0	-68.23	344.45	8.90	-59.33
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300003095124	1	58	0.0	-72.72	424.87	10.10	-62.62
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300003095124	1	58	0.0	-66.87	418.33	10.02	-56.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN2CC2=CC=CC=N2)CC1	REAL300003095125	0	54	0.0	-42.63	394.46	7.31	-35.32
CC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=NC2=NN1	REAL300003095126	0	45	0.0	-46.20	340.69	6.44	-39.76
CC1=NN(C)C(C)=C1C1=NNC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095127	0	53	0.0	-45.58	402.66	7.21	-38.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)N2CCOCC2)CC1	REAL300003095128	0	49	0.0	-39.93	338.92	3.96	-35.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NNC3=C2CCCCC3)CC1	REAL300003095129	0	50	0.0	-37.21	353.93	7.85	-29.36
CC(CN1CCOCC1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095130	1	52	0.0	-39.62	367.77	5.21	-34.41
CC(CC(=O)[O-])N1CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC1	REAL300003095131	1	59	0.0	-75.97	431.77	7.76	-68.21
CC(C)N1C=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095132	0	47	0.0	-37.47	340.94	8.82	-28.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=NC=CC=C3C=C2)CC1	REAL300003095133	0	45	0.0	-38.89	338.73	8.28	-30.61
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1O	REAL300003095134	0	44	0.0	-39.06	330.12	5.86	-33.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN3C=CC=NC3=C2)CC1	REAL300003095135	1	42	0.0	-42.61	323.03	7.34	-35.27
CC1=NC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2C=C1	REAL300003095136	0	48	0.0	-40.23	360.33	8.89	-31.34
COC1=CC(Cl)=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095137	0	44	0.0	-51.94	346.53	7.71	-44.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3NC=NC3=CC=C2)CC1	REAL300003095138	0	43	0.0	-42.82	326.36	7.60	-35.22
CC1=NC(C2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2)=CS1	REAL300003095139	0	49	0.0	-44.41	381.00	9.29	-35.12
COC1=CC=CC(C2=NNC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)=C1	REAL300003095140	0	51	0.0	-41.10	387.39	7.66	-33.44
CC(CC(=O)[O-])N1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1	REAL300003095141	1	51	0.0	-67.80	363.80	7.43	-60.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(N3CCCC3)=C2)CC1	REAL300003095142	0	52	0.0	-37.70	375.42	8.41	-29.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(F)C=C2Br)CC1	REAL300003095143	0	43	0.0	-42.79	348.15	9.54	-33.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=COC3=CC=CC=C23)CC1	REAL300003095144	0	46	0.0	-46.66	352.07	9.31	-37.35
CCCC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NO1	REAL300003095145	1	45	0.0	-35.88	340.00	8.18	-27.70
CC1=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC=N1	REAL300003095146	0	45	0.0	-41.66	349.45	7.53	-34.13
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095147	0	53	0.0	-57.06	394.51	10.94	-46.12
CC1=CC=C2SC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=C1	REAL300003095148	1	46	0.0	-37.51	356.21	9.95	-27.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(F)C=C2F)CC1	REAL300003095149	0	46	0.0	-42.47	357.34	9.89	-32.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=CC(Br)=C2)CC1	REAL300003095150	0	40	0.0	-51.69	338.36	9.02	-42.67
CC1=CC=CC(C)=C1NCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095151	0	51	0.0	-51.94	375.65	8.59	-43.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3CCC3)C=C2)CC1	REAL300003095152	0	51	0.0	-37.66	375.45	9.49	-28.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=CNN=C3C2)CC1	REAL300003095153	0	47	0.0	-44.45	343.04	6.93	-37.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(NC3CC3)S2)CC1	REAL300003095154	1	45	0.0	-36.34	350.82	6.84	-29.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2=CC=CC(F)=C2)N2CCOCC2)CC1	REAL300003095155	0	56	0.0	-43.47	408.71	7.48	-35.99
CCN1CCOC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C1	REAL300003095156	0	49	0.0	-54.28	349.48	5.16	-49.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOC2=CC=CN=C2)CC1	REAL300003095157	0	49	0.0	-57.10	373.43	7.64	-49.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CC=C3)=NS2)CC1	REAL300003095158	1	46	0.0	-39.74	359.54	9.11	-30.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCSC3=CC=CC=C32)CC1	REAL300003095159	0	48	0.0	-55.64	362.61	10.09	-45.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H](C)CC2=CC=CC=C2)CC1	REAL300003095162	0	49	0.0	-39.00	360.39	10.09	-28.91
C=CCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003095163	0	50	0.0	-37.38	371.80	10.49	-26.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C)(O)C2=CC=CC=C2)CC1	REAL300003095164	0	50	0.0	-53.39	367.56	8.19	-45.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(C)(C)C)S2)CC1	REAL300003095165	1	49	0.0	-37.77	369.96	9.60	-28.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=NSC3=CC=CC=C32)CC1	REAL300003095166	0	45	0.0	-44.66	354.78	8.98	-35.68
CCC(O)(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003095167	0	53	0.0	-53.99	385.23	8.75	-45.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC4CC(CC(F)(C4)C2)C3)CC1	REAL300003095168	0	54	0.0	-42.10	361.23	9.68	-32.42
CCCC(=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)CCC	REAL300003095169	0	52	0.0	-48.15	374.27	10.18	-37.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=C2CCC(C(C)(C)C)CC2)CC1	REAL300003095170	0	59	0.0	-37.37	403.09	11.06	-26.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NNN=C2C2=CC=CC=C2)CC1	REAL300003095171	0	46	0.0	-38.06	347.80	7.10	-30.96
CC1=NSC(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095172	1	42	0.0	-40.61	329.99	7.02	-33.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)C2=CC=C3OCOC3=C2)CC1	REAL300003095173	0	49	0.0	-44.61	362.69	7.90	-36.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(=O)C(C)C2)CC1	REAL300003095174	0	48	0.0	-59.23	344.69	7.85	-51.38
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=C1CCC2	REAL300003095175	0	50	0.0	-38.05	361.79	10.35	-27.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(C)CC(C)C2)CC1	REAL300003095176	0	52	0.0	-39.47	356.90	9.35	-30.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC(F)=CC(F)=C2)CC1	REAL300003095177	0	44	0.0	-43.84	345.79	9.03	-34.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N(C)C)C=N2)CC1	REAL300003095178	0	47	0.0	-36.00	344.47	7.41	-28.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(C)(C)CC2)CC1	REAL300003095179	0	52	0.0	-38.95	356.01	9.15	-29.80
COC1=CC(CO)=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095180	0	48	0.0	-41.30	361.46	4.90	-36.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2O)CC1	REAL300003095181	0	50	0.0	-51.31	356.90	6.02	-45.29
CC(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1O	REAL300003095182	0	46	0.0	-43.04	350.66	7.02	-36.02
CCSCC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095183	0	50	0.0	-36.05	383.70	10.70	-25.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC3=C2OCO3)CC1	REAL300003095184	0	49	0.0	-43.77	371.55	8.44	-35.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(O)CCCC(C)(C)C2)CC1	REAL300003095185	0	53	0.0	-41.88	356.36	6.83	-35.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(CCN3C=CC=N3)C=C2)CC1	REAL300003095186	0	50	0.0	-40.03	385.74	8.21	-31.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NN2CC(F)F)CC1	REAL300003095187	0	43	0.0	-39.86	330.57	6.83	-33.03
CC1=CC=CC(=O)N1CC(C)(O)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095188	0	53	0.0	-53.68	380.10	6.98	-46.70
CC1=CC(=O)N(CC(C)(O)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003095189	0	53	0.0	-46.20	388.09	6.65	-39.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(NC3=CC=CC=C3)SC=N2)CC1	REAL300003095190	1	48	0.0	-35.97	370.62	8.64	-27.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CN3C=CN=N3)C=C2)CC1	REAL300003095191	0	49	0.0	-49.27	375.16	8.31	-40.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(S(N)(=O)=O)=C2)CC1	REAL300003095192	1	44	0.0	-46.87	347.91	0.98	-45.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=C3CCCCC3=NN2)CC1	REAL300003095193	0	50	0.0	-46.06	366.61	7.70	-38.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3=NNC=C32)CC1	REAL300003095194	0	47	0.0	-56.87	345.07	6.84	-50.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(CC3=NC=CN3C)CC2)CC1	REAL300003095195	0	58	0.0	-50.53	412.78	7.70	-42.83
CC(CC(=O)[O-])N1CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300003095196	1	58	0.0	-68.68	403.10	8.31	-60.37
CC(CC(=O)[O-])N1CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC1	REAL300003095196	1	58	0.0	-68.88	401.77	8.28	-60.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NCCN3C=CN=C3)C=C2)CC1	REAL300003095197	0	55	0.0	-43.56	415.80	10.11	-33.45
CC1=CN=CC=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095198	0	45	0.0	-44.18	336.09	7.70	-36.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(O)COCC2=CC=CC=C2)CC1	REAL300003095199	0	54	0.0	-47.04	410.83	7.65	-39.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(CCS(C)(=O)=O)C2=CC=CC=C2)CC1	REAL300003095200	0	55	0.0	-55.75	419.64	7.33	-48.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CN=CC3=CC=CC=C32)CC1	REAL300003095201	0	48	0.0	-45.16	361.95	9.34	-35.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C(=CN=C2)N=CN3C)CC1	REAL300003095202	0	45	0.0	-43.11	338.78	7.32	-35.79
CC(CC(=O)[O-])N1CCN(C(=O)CCC2CCC[N@@H+]2C)CC1	REAL300003095203	1	51	0.0	-72.16	364.67	7.41	-64.75
CC(CC(=O)[O-])N1CCN(C(=O)CCC2CCC[N@H+]2C)CC1	REAL300003095203	1	51	0.0	-71.30	367.71	7.08	-64.22
CSC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)O1	REAL300003095204	1	44	0.0	-37.32	343.57	8.00	-29.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C(=CN=C2)N=C(C(F)(F)F)N3C)CC1	REAL300003095205	0	48	0.0	-41.99	374.86	7.39	-34.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN2C2=NC=CC=N2)CC1	REAL300003095206	0	50	0.0	-54.25	365.60	6.80	-47.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CNC=N2)CC1	REAL300003095207	0	44	0.0	-47.34	332.98	7.89	-39.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CN=CN2)CC1	REAL300003095207	1	44	0.0	-43.74	334.03	7.87	-35.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NN3C=CN=C3)C=C2)CC1	REAL300003095208	0	49	0.0	-42.82	368.81	9.06	-33.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(N3N=NN=C3N)=C2)CC1	REAL300003095209	0	47	0.0	-46.89	359.96	7.84	-39.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3SC=CC3=CC=N2)CC1	REAL300003095210	0	42	0.0	-36.08	327.23	8.42	-27.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3COCCN23)CC1	REAL300003095211	0	45	0.0	-40.98	331.83	5.56	-35.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=C3CCCCN3N=C2)CC1	REAL300003095212	0	50	0.0	-46.08	367.70	8.39	-37.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=NC3=CC=CC=C3C=C2)CC1	REAL300003095213	0	49	0.0	-52.61	379.89	10.08	-42.53
COC1=CC=C([C@]2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C[C@H](O)C2)C=C1	REAL300003095214	0	55	0.0	-37.15	399.69	6.00	-31.15
CC1=CN(C(C)(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003095215	0	49	0.0	-35.42	347.71	8.59	-26.83
CC(CC(=O)[O-])N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300003095216	1	52	0.0	-72.18	348.67	6.19	-65.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3CCCCCN23)CC1	REAL300003095217	0	50	0.0	-38.80	353.41	8.25	-30.55
CC(C)N1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2CCOCC2)=N1	REAL300003095218	0	60	0.0	-42.38	434.80	8.44	-33.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CCO)N=C2C2CCOCC2)CC1	REAL300003095219	0	58	0.0	-43.63	427.79	4.57	-39.06
CC(CC(=O)[O-])N1CCN(C(=O)C2(C)CC(O)C[N@@H+]2C)CC1	REAL300003095220	0	49	0.0	-63.77	337.35	2.05	-61.72
CC(CC(=O)[O-])N1CCN(C(=O)C2(C)CC(O)C[N@H+]2C)CC1	REAL300003095220	1	49	0.0	-65.10	343.17	2.05	-63.05
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300003095221	0	52	0.0	-63.06	359.98	6.98	-56.08
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300003095221	1	52	0.0	-61.47	360.24	6.99	-54.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3N=CC=C(C4=CC=CN=C4)N3N=C2)CC1	REAL300003095222	0	51	0.0	-46.47	400.83	8.72	-37.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN([C@@H]3CC[C@H]3O)N=N2)CC1	REAL300003095223	1	47	0.0	-51.13	356.89	3.44	-47.69
COC1=CC(COCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=N1	REAL300003095224	0	50	0.0	-49.30	385.65	6.11	-43.19
COC1=CC=C(COCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003095225	0	50	0.0	-48.99	385.60	6.09	-42.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COCC2=CC(=O)NC=C2)CC1	REAL300003095226	0	47	0.0	-59.70	361.11	6.41	-53.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3CC(C)CCC3=N2)CC1	REAL300003095227	0	50	0.0	-36.17	364.17	9.55	-26.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2C2=CC=NC=C2)CC1	REAL300003095228	0	49	0.0	-43.85	373.23	9.71	-34.14
CC(CC(=O)[O-])N1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1	REAL300003095229	1	55	0.0	-64.25	374.27	5.07	-59.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@]2(C3=CC=CC=C3)C[C@H](O)C2)CC1	REAL300003095230	0	51	0.0	-40.07	368.34	7.40	-32.67
COC1=CN=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003095231	0	46	0.0	-38.92	341.23	6.08	-32.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC3=CN=CC=C32)CC1	REAL300003095232	0	48	0.0	-57.57	365.08	9.35	-48.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3CCOCC3=N2)CC1	REAL300003095233	0	45	0.0	-37.18	334.20	6.65	-30.53
CC(CC(=O)[O-])N1CCN(C(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)CC1	REAL300003095234	1	58	0.0	-77.23	412.02	7.43	-69.80
CC(CC(=O)[O-])N1CCN(C(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)CC1	REAL300003095234	1	58	0.0	-80.58	425.98	7.72	-72.86
CC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)OC2=C(F)C=C1	REAL300003095235	1	46	0.0	-37.51	355.08	9.42	-28.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)O2)CC1	REAL300003095236	0	44	0.0	-48.89	336.09	7.51	-41.38
CC1=C(C)N2N=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2C=C1	REAL300003095237	0	49	0.0	-41.24	368.31	8.88	-32.36
CC1=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(=O)NC(C2=CC=NC=C2)=N1	REAL300003095238	0	54	0.0	-51.11	412.62	7.60	-43.51
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)C=C1	REAL300003095241	1	61	0.0	-75.13	441.83	8.78	-66.35
CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095242	0	54	0.0	-47.91	401.83	9.60	-38.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCSCC2=CC=CC=N2)CC1	REAL300003095243	0	49	0.0	-54.55	388.27	9.35	-45.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(N3C=CN=C3)=C2)CC1	REAL300003095244	0	46	0.0	-44.17	351.02	9.57	-34.60
CNS(=O)(=O)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095245	1	41	0.0	-66.57	323.59	1.51	-65.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC1	REAL300003095246	1	50	0.0	-65.25	371.47	3.80	-61.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3NC=CC=C23)CC1	REAL300003095247	0	43	0.0	-46.03	330.50	7.48	-38.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(NC3CC3)N=C2)CC1	REAL300003095248	0	48	0.0	-38.90	358.79	7.44	-31.46
CC(C)[NH+]1CCC(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)CC1	REAL300003095249	1	54	0.0	-70.43	372.32	6.90	-63.53
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1CC1=CC=C(F)C=C1	REAL300003095250	1	52	0.0	-40.77	401.19	9.28	-31.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C3=CN=CO3)=C2)CC1	REAL300003095251	0	46	0.0	-44.73	352.10	6.28	-38.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(O)=CC(Br)=C2)CC1	REAL300003095252	0	41	0.0	-53.60	332.65	5.66	-47.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC(Br)=CC=C2F)CC1	REAL300003095253	0	43	0.0	-41.49	350.70	9.64	-31.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(N3C=CN=C3)=C2)CC1	REAL300003095254	0	47	0.0	-42.86	353.40	10.25	-32.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC=C2C(F)(F)F)CC1	REAL300003095255	0	42	0.0	-40.25	328.90	7.16	-33.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CNC=N3)C=C2)CC1	REAL300003095256	0	47	0.0	-43.83	355.90	9.09	-34.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)N2C=NC3=CC=CC=C32)CC1	REAL300003095257	0	49	0.0	-49.80	364.94	9.74	-40.06
COC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003095258	1	42	0.0	-40.40	319.35	2.50	-37.90
CC1=CC(=O)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CN1	REAL300003095259	0	43	0.0	-49.87	330.46	6.39	-43.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=NNC=N3)C=C2)CC1	REAL300003095260	0	46	0.0	-43.91	351.51	8.75	-35.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNN=C2C2=CC=CC=C2F)CC1	REAL300003095261	0	47	0.0	-48.21	360.13	8.04	-40.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(C(F)(F)F)=C2)CC1	REAL300003095262	0	42	0.0	-38.44	331.51	7.08	-31.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(C(F)(F)F)=C2)CC1	REAL300003095263	0	42	0.0	-41.28	332.33	7.17	-34.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=CS3)N2)CC1	REAL300003095264	0	41	0.0	-38.44	320.44	7.46	-30.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CC=CC3=NN2C)CC1	REAL300003095265	0	46	0.0	-40.77	351.96	8.01	-32.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(CN3C=CN=C3)=C2)CC1	REAL300003095266	0	50	0.0	-58.05	385.44	11.22	-46.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(=O)NC3=CC=C(F)C=C32)CC1	REAL300003095267	0	46	0.0	-43.00	360.80	7.15	-35.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(N3CCCCC3)=N2)CC1	REAL300003095268	1	51	0.0	-33.80	381.26	8.27	-25.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3SC=CC3=CC=C2)CC1	REAL300003095269	0	43	0.0	-40.29	336.93	9.30	-30.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC(F)=CC=C3N=C2)CC1	REAL300003095270	0	45	0.0	-39.29	344.67	8.24	-31.05
CC1=CC=C(O)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095271	0	44	0.0	-37.49	328.87	5.73	-31.76
CC1=NC2=CC=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2N1	REAL300003095272	0	46	0.0	-42.66	344.99	7.44	-35.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC3=CC=NN3C=C2)CC1	REAL300003095273	1	42	0.0	-38.24	320.47	7.70	-30.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CN=CC=N2)CC1	REAL300003095274	0	44	0.0	-53.08	337.55	6.19	-46.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCN2C=NC=N2)CC1	REAL300003095275	0	45	0.0	-52.17	342.73	9.20	-42.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=NC=C3C=C2)CC1	REAL300003095276	0	45	0.0	-39.26	338.62	8.39	-30.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C(=C2)CCN3C)CC1	REAL300003095277	0	49	0.0	-53.11	361.17	7.74	-45.37
CCC(C)OC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003095278	0	53	0.0	-38.16	387.25	9.56	-28.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2CCOCC2)CC1	REAL300003095279	0	48	0.0	-54.29	342.64	4.68	-49.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3CCCCC32)CC1	REAL300003095280	0	56	0.0	-51.44	375.33	10.38	-41.06
C=CCSC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095281	0	48	0.0	-38.47	372.82	10.36	-28.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(S(C)=O)C=C2)CC1	REAL300003095282	0	48	0.0	-66.10	379.39	7.62	-58.48
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC2=CC=CC=C21	REAL300003095283	1	49	0.0	-36.14	367.08	10.17	-25.97
C#CCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCCC1	REAL300003095284	0	51	0.0	-38.62	353.56	9.43	-29.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2CCC(O)CC2)CC1	REAL300003095285	0	56	0.0	-37.82	370.50	6.27	-31.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC(C3CCCCC3)=N2)CC1	REAL300003095286	1	52	0.0	-34.91	381.34	7.82	-27.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(C(C)(C)C)C2)CC1	REAL300003095287	0	52	0.0	-38.31	363.58	9.42	-28.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(O)CCC2=CC=CC=C2)CC1	REAL300003095288	0	53	0.0	-39.19	387.67	7.95	-31.24
COC1CCCCC1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095289	0	50	0.0	-39.21	356.97	7.42	-31.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C(C)(C)C)N=C2)CC1	REAL300003095290	1	50	0.0	-39.14	369.26	7.79	-31.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2N2C=CN=N2)CC1	REAL300003095291	0	46	0.0	-43.23	347.85	7.96	-35.27
CCOC1=CN=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003095292	1	45	0.0	-34.21	342.20	4.68	-29.53
CCN1N=C(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003095293	1	45	0.0	-36.65	337.01	6.14	-30.51
COCC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003095294	1	43	0.0	-37.47	337.18	4.80	-32.67
CC1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003095295	0	46	0.0	-39.43	357.58	9.68	-29.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCSC(C)(C)C)CC1	REAL300003095296	0	52	0.0	-54.34	389.74	10.03	-44.31
COC1CCC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003095297	0	53	0.0	-53.32	379.48	8.30	-45.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C[C@H]2CCCC[C@@H]2O)CC1	REAL300003095298	0	50	0.0	-39.55	353.74	5.99	-33.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC=C2S(C)=O)CC1	REAL300003095299	0	48	0.0	-55.73	371.38	7.46	-48.27
CC1=NC(N)=NC(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095301	0	46	0.0	-40.71	348.26	6.51	-34.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(O)CCSCC2)CC1	REAL300003095302	0	45	0.0	-38.13	327.79	5.32	-32.81
CC(C)C1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(=O)N1	REAL300003095303	0	49	0.0	-55.71	372.98	7.07	-48.64
CC1=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300003095304	0	49	0.0	-46.43	371.41	10.09	-36.34
CC(C)OC1=NC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095305	1	49	0.0	-40.81	369.08	6.95	-33.86
CC1=C(CO)C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003095306	1	44	0.0	-41.30	333.95	4.40	-36.90
CC1=CC=CC2=C1OC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C2	REAL300003095307	0	48	0.0	-58.19	358.08	9.66	-48.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCCCS(N)(=O)=O)CC1	REAL300003095308	0	50	0.0	-64.26	388.53	3.37	-60.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CCC3=CC=CC=C3C2)CC1	REAL300003095309	0	53	0.0	-38.20	368.28	10.44	-27.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CCC3)N2)CC1	REAL300003095310	0	45	0.0	-39.61	329.37	8.10	-31.51
CC(C)OC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=N1	REAL300003095311	0	49	0.0	-39.52	366.83	6.50	-33.02
CC(C)C1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=CS1	REAL300003095312	1	45	0.0	-39.76	350.18	7.08	-32.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=C2CCSCC2)CC1	REAL300003095313	0	45	0.0	-38.62	334.04	8.80	-29.82
CC(C)N1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003095314	0	46	0.0	-38.61	341.40	7.04	-31.57
COC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCOCC1	REAL300003095315	0	48	0.0	-37.73	331.67	4.89	-32.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=NNC=C3C2)CC1	REAL300003095316	0	47	0.0	-43.09	343.15	6.91	-36.18
COC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC(=O)NC1=O	REAL300003095317	0	44	0.0	-44.43	344.51	2.29	-42.14
CCCC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CO1	REAL300003095318	1	45	0.0	-36.63	340.88	6.07	-30.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3CC3)S2)CC1	REAL300003095319	1	44	0.0	-34.96	338.70	9.18	-25.78
CCCC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1Cl	REAL300003095320	0	49	0.0	-36.68	374.52	10.49	-26.19
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(Cl)=C1C	REAL300003095321	0	46	0.0	-38.37	351.81	9.60	-28.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C)(C)C2CCCCC2)CC1	REAL300003095322	0	58	0.0	-49.93	389.78	10.64	-39.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C3CCC3)=C2)CC1	REAL300003095323	0	50	0.0	-38.33	363.24	10.45	-27.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2(C)CCC(C)C2(C)C)CC1	REAL300003095324	0	59	0.0	-38.49	403.22	10.85	-27.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3NC=CC=C3N=C2)CC1	REAL300003095325	0	43	0.0	-44.79	324.21	6.08	-38.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CSC=C2)CC1	REAL300003095326	0	41	0.0	-56.11	326.92	7.91	-48.20
CCCC1=NC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003095327	1	48	0.0	-37.47	358.52	5.82	-31.65
CC(OC1=CC=CC=N1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095328	0	46	0.0	-43.00	346.05	6.95	-36.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C3COCC3=C2)CC1	REAL300003095329	0	48	0.0	-44.61	360.07	8.28	-36.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(NC3=CC=CC=C3)CC2)CC1	REAL300003095330	0	49	0.0	-36.61	364.58	8.62	-27.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CO)C(F)=C2)CC1	REAL300003095331	0	44	0.0	-38.32	334.03	5.43	-32.89
CCCCS(=O)(=O)NCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095332	0	50	0.0	-63.41	388.12	3.94	-59.47
COC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C	REAL300003095333	1	44	0.0	-41.93	336.98	4.54	-37.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3N=NN(C)C3=C2)CC1	REAL300003095334	0	45	0.0	-61.42	343.40	6.48	-54.94
CC1=C(CCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC=C1	REAL300003095335	0	49	0.0	-43.21	375.75	10.22	-32.99
CC(CC(=O)[O-])N1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300003095336	1	49	0.0	-70.87	333.09	5.78	-65.09
CC(CC(=O)[O-])N1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300003095336	1	49	0.0	-73.14	331.32	5.24	-67.90
CNC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1F	REAL300003095337	0	45	0.0	-37.45	337.81	6.79	-30.66
CC(OCC1=CC=C(F)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095338	0	50	0.0	-46.40	380.28	9.88	-36.52
CC(C)C1=CC=C2OC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=C1	REAL300003095339	0	52	0.0	-40.52	390.12	10.41	-30.11
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC(CC2CC2)=N1	REAL300003095340	1	49	0.0	-37.92	368.15	6.65	-31.27
CCOCC1=NC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003095341	1	49	0.0	-40.31	383.63	6.62	-33.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003095342	0	50	0.0	-43.62	390.32	8.44	-35.18
C=C(C)C(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)OCC	REAL300003095344	0	50	0.0	-51.32	375.08	8.78	-42.54
CC1=NC2=CC=CC=C2C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095345	0	48	0.0	-39.52	358.99	8.90	-30.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=C(F)C=C3)CCOCC2)CC1	REAL300003095346	0	57	0.0	-43.58	400.75	9.38	-34.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=CC(F)=C3)CCOCC2)CC1	REAL300003095347	0	57	0.0	-43.02	400.76	9.38	-33.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CC(OC(C)(C)C)=N2)CC1	REAL300003095348	0	58	0.0	-52.26	426.64	10.01	-42.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN2C2=CC=CC=C2)CC1	REAL300003095349	0	52	0.0	-40.32	368.52	8.12	-32.20
CC1=NSC(NC2CC2)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095350	1	48	0.0	-39.11	376.52	6.94	-32.17
CCN1N=CC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C(C)N=C21	REAL300003095351	0	51	0.0	-40.99	382.95	8.61	-32.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNN=C2C2=CC=CC=N2)CC1	REAL300003095352	0	46	0.0	-43.75	354.69	6.55	-37.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3=CC=CC=C3)N=CO2)CC1	REAL300003095353	0	46	0.0	-41.89	350.91	6.55	-35.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(O)(C3=CC=CC(Cl)=C3)C2)CC1	REAL300003095354	0	51	0.0	-42.49	387.58	9.21	-33.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=CC(C(F)F)=N2)CC1	REAL300003095355	0	43	0.0	-49.68	339.45	7.16	-42.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)N2N=NN=C2C(C)(C)C)CC1	REAL300003095356	0	53	0.0	-53.04	382.34	6.97	-46.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CN(C)C=C2)CC1	REAL300003095357	0	45	0.0	-51.63	344.41	9.20	-42.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC3=CC=CC=C3S2)CC1	REAL300003095358	1	42	0.0	-37.12	332.38	8.35	-28.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=NC(C3=CC=C(F)C=C3)=CS2)CC1	REAL300003095359	0	49	0.0	-43.15	393.64	9.76	-33.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=NC3=CC=CC=C32)CC1	REAL300003095360	0	46	0.0	-50.37	351.75	9.98	-40.39
CCC1=NC2=CC=CC=C2N1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095361	0	52	0.0	-52.23	393.46	10.38	-41.85
CC(C)C(NS(C)(=O)=O)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095362	0	50	0.0	-46.41	374.81	3.29	-43.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)N2CCC3=CC=CC=C32)CC1	REAL300003095363	0	52	0.0	-52.38	376.94	8.54	-43.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(N3C=NN=C3)N(C)N=C2)CC1	REAL300003095364	0	46	0.0	-46.84	353.45	9.30	-37.54
CC1=CC=C(N2C=NN=C2)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095365	0	49	0.0	-50.04	375.57	11.80	-38.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC(N(C)C)=NO2)CC1	REAL300003095366	0	49	0.0	-43.90	373.61	7.57	-36.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=CC=N2)CC1	REAL300003095367	0	48	0.0	-43.52	341.63	8.32	-35.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=NN2C)CC1	REAL300003095368	0	47	0.0	-44.73	354.97	7.95	-36.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSCC2=CC=C(C(C)(C)C)C=C2)CC1	REAL300003095369	1	59	0.0	-55.35	447.81	12.75	-42.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CC=C3)=CC=N2)CC1	REAL300003095370	0	49	0.0	-38.93	368.14	10.43	-28.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CN3C=N2)CC1	REAL300003095371	1	43	0.0	-38.50	325.60	10.29	-28.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2=CC=CC=C2)CC1	REAL300003095372	0	44	0.0	-39.65	326.55	6.62	-33.03
CCN(CC)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003095373	0	54	0.0	-37.51	392.10	10.18	-27.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(N(C)C)=C2)CC1	REAL300003095374	0	48	0.0	-38.58	347.80	8.24	-30.34
CNC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095375	0	45	0.0	-37.04	332.66	6.97	-30.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC=C2O)CC1	REAL300003095376	0	45	0.0	-59.99	346.86	6.63	-53.36
CCC1=NC2=CC=CC=C2C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003095377	0	54	0.0	-42.05	401.54	10.15	-31.90
CC1=CC=C(S(=O)(=O)NCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003095378	0	51	0.0	-60.35	402.69	5.35	-55.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3N=CSC3=C2)CC1	REAL300003095379	0	42	0.0	-40.19	330.18	7.33	-32.86
COC1=CC=CC=C1NC1=NC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095380	0	55	0.0	-40.05	410.94	9.89	-30.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN=C2NC2=CC=CC=C2F)CC1	REAL300003095381	0	51	0.0	-39.31	388.04	10.59	-28.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)CC1	REAL300003095382	0	54	0.0	-53.58	409.78	5.98	-47.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCN2C=CC=N2)CC1	REAL300003095383	0	46	0.0	-49.51	347.97	7.75	-41.76
CC1=C(C)SC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003095384	1	42	0.0	-39.27	322.60	6.24	-33.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(CO)=C2)CC1	REAL300003095385	0	44	0.0	-40.82	329.79	5.20	-35.62
CC1=NN=C2CCC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CN12	REAL300003095386	0	49	0.0	-49.23	359.06	8.80	-40.43
CCN(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003095387	0	51	0.0	-54.37	379.79	10.13	-44.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(N=C(N(C)C)S3)S2)CC1	REAL300003095388	1	47	0.0	-40.89	376.14	8.16	-32.73
CC(CC(=O)[O-])N1CCN(C(=O)C[NH+]2C(C)CCC2C)CC1	REAL300003095389	1	51	0.0	-64.02	358.23	6.93	-57.09
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)CC1	REAL300003095390	1	51	0.0	-75.67	377.71	8.15	-67.52
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300003095391	1	58	0.0	-71.70	413.72	10.24	-61.46
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300003095391	1	58	0.0	-68.84	418.19	9.47	-59.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(F)=CC3=NC=CN=C23)CC1	REAL300003095392	0	44	0.0	-41.57	342.58	6.69	-34.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(N3CCCCC3)=N2)CC1	REAL300003095393	0	53	0.0	-34.74	385.88	9.72	-25.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CCCC3)N2)CC1	REAL300003095394	0	48	0.0	-38.18	346.50	8.67	-29.51
COC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=NN1C	REAL300003095395	1	47	0.0	-52.03	364.03	5.32	-46.71
CC1=CC=C(N2CCCC2)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095396	0	55	0.0	-39.79	391.04	9.11	-30.68
CC1=CC=C(N2C=CN=C2)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095397	0	50	0.0	-45.14	379.76	11.10	-34.04
CC1=CC=C(NC2=CC=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)N=N1	REAL300003095398	0	53	0.0	-57.81	405.74	9.56	-48.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC3=CN=CN32)CC1	REAL300003095399	0	40	0.0	-40.49	320.55	8.32	-32.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2CCOCC2)CC1	REAL300003095400	0	48	0.0	-57.08	354.84	6.66	-50.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCC(O)CC3)C=C2)CC1	REAL300003095401	0	56	0.0	-40.44	400.80	5.81	-34.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=CC(F)=C2N)CC1	REAL300003095402	0	42	0.0	-36.85	334.49	6.66	-30.19
CC(OCCC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095403	0	53	0.0	-42.20	396.06	10.61	-31.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CN=C2C2CC2)CC1	REAL300003095404	1	45	0.0	-38.32	337.97	8.25	-30.07
CC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2CC2)=N1	REAL300003095405	0	48	0.0	-38.69	361.14	8.11	-30.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CN=CN2C)CC1	REAL300003095406	0	46	0.0	-44.84	345.25	8.89	-35.95
CC(C)CC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCC1	REAL300003095407	0	55	0.0	-52.49	367.83	9.65	-42.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2(C)CCOCC2)CC1	REAL300003095408	0	51	0.0	-40.01	360.64	7.60	-32.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(S(C)(=O)=O)CC2)CC1	REAL300003095409	1	43	0.0	-42.66	330.30	4.12	-38.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C(C)(C)C)CC1	REAL300003095410	0	52	0.0	-40.64	377.11	8.07	-32.57
CC(C)C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CN=C1	REAL300003095411	0	51	0.0	-45.92	373.63	8.70	-37.22
CC1=CC(F)=CC(N2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=N2)=C1	REAL300003095412	1	49	0.0	-37.51	381.99	8.98	-28.53
COC(C)(C)C1=NC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003095413	1	52	0.0	-37.92	388.57	6.50	-31.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=NC(C3=CC=CC=C3)=N2)CC1	REAL300003095414	0	49	0.0	-67.97	383.33	10.68	-57.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(N3CCOCC3)=NC=N2)CC1	REAL300003095415	1	51	0.0	-38.30	375.66	6.80	-31.50
COCC(C)C(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095417	0	49	0.0	-41.33	351.69	6.71	-34.62
CCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CCC(C)CC1	REAL300003095418	0	58	0.0	-39.75	387.45	10.37	-29.38
COCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1=CC=CC=C1	REAL300003095419	0	54	0.0	-41.03	406.01	8.71	-32.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)(F)F)C=NN2)CC1	REAL300003095420	0	40	0.0	-40.79	321.65	5.49	-35.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(=O)NC(C3CC3)=C2)CC1	REAL300003095421	0	47	0.0	-45.01	358.63	7.29	-37.72
CC(=O)C1=CN(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=N1	REAL300003095422	0	44	0.0	-67.09	347.27	5.46	-61.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2(C(F)(F)F)CC2)CC1	REAL300003095423	0	43	0.0	-40.86	328.81	8.34	-32.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC3=CC=NN32)CC1	REAL300003095424	0	42	0.0	-43.08	326.29	6.86	-36.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CC3CCC2O3)CC1	REAL300003095425	0	48	0.0	-43.57	337.69	7.10	-36.47
CC1=CC2=C(C)C=CN=C2C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095426	0	51	0.0	-40.41	379.42	9.76	-30.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=CN=C3)N=C2)CC1	REAL300003095427	0	46	0.0	-41.46	352.43	7.31	-34.15
CC(O)C1=CN(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=N1	REAL300003095428	0	46	0.0	-68.50	354.66	3.09	-65.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC(C3=CC=CC=C3)=CS2)CC1	REAL300003095429	1	46	0.0	-45.16	361.00	8.49	-36.67
CC1=C(C(C)C)N=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003095430	0	51	0.0	-57.43	396.00	8.80	-48.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=NC=CS2)CC1	REAL300003095431	0	45	0.0	-44.33	351.76	7.69	-36.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(N3CCOCC3)=N2)CC1	REAL300003095432	0	52	0.0	-44.67	396.85	5.81	-38.86
CCCCCCCCC(O)CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095433	0	64	0.0	-50.78	470.23	9.81	-40.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=NC(C3=CC=CC=C3)=CS2)CC1	REAL300003095434	0	49	0.0	-43.21	387.08	9.74	-33.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3=CC=CC=C3C2)CC1	REAL300003095435	0	47	0.0	-40.99	343.04	9.87	-31.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(NC3=CC=CN=C3)SC=N2)CC1	REAL300003095436	1	47	0.0	-38.01	365.86	6.93	-31.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=NN=C(C3=CC=CC=C3)N2C)CC1	REAL300003095437	0	52	0.0	-55.67	393.73	10.34	-45.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC(O)C2=CC=CC=C2)CC1	REAL300003095438	0	53	0.0	-54.91	398.67	8.27	-46.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)C2=CC=NC=C2)CC1	REAL300003095439	0	45	0.0	-56.05	335.19	7.54	-48.51
CC1=C(C2=CC=CO2)N=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003095440	0	49	0.0	-61.27	393.83	8.57	-52.70
CCCOC1=CC=NC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003095441	0	51	0.0	-58.28	392.90	6.22	-52.06
CC(=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)CN1CCOCC1	REAL300003095442	0	53	0.0	-51.01	380.04	5.48	-45.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=NC=CS2)CC1	REAL300003095443	0	45	0.0	-45.19	335.54	6.68	-38.51
CC1=CC=C(NC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=CS2)C=C1	REAL300003095444	1	51	0.0	-35.92	392.34	9.35	-26.57
CC1=CC=CC=C1NC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=CS1	REAL300003095445	1	51	0.0	-36.10	390.05	9.52	-26.58
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=NC=CC=C12	REAL300003095446	0	48	0.0	-41.08	358.32	9.01	-32.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=COC3=C(F)C=C2)CC1	REAL300003095447	0	43	0.0	-40.77	334.99	8.40	-32.37
C=CC1(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCCC1	REAL300003095448	0	53	0.0	-37.74	360.40	9.74	-28.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=COC3=C(Cl)C=C2)CC1	REAL300003095449	0	43	0.0	-39.99	345.29	8.85	-31.14
CCCCNC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095450	0	54	0.0	-36.22	396.70	9.35	-26.87
CC1=CC=CC=C1NCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095451	0	51	0.0	-43.21	376.92	8.70	-34.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3CCCC(C2)C3=O)CC1	REAL300003095452	0	52	0.0	-48.30	360.86	8.83	-39.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(O)C=C2)CC1	REAL300003095453	0	45	0.0	-42.46	343.93	6.63	-35.83
CC(C)C1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(O)C(C(C)C)=C1	REAL300003095455	0	59	0.0	-40.51	429.86	9.47	-31.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CO)C=C2)CC1	REAL300003095456	0	44	0.0	-38.12	330.40	5.25	-32.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNS(=O)(=O)C2=CC=CS2)CC1	REAL300003095457	0	48	0.0	-60.35	395.26	4.38	-55.97
CCOC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(Cl)=C1O	REAL300003095458	0	48	0.0	-56.47	378.40	6.52	-49.95
CCC1=NC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2N=C1CC	REAL300003095459	0	56	0.0	-39.46	414.48	8.84	-30.62
CC1=CC=CC=C1COC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095460	0	57	0.0	-40.46	427.59	12.30	-28.16
COC1=CC=C(Cl)C=C1NCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095461	0	49	0.0	-54.49	385.18	7.18	-47.31
C#CC[NH+]1CCC(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)CC1	REAL300003095462	1	50	0.0	-73.97	369.55	7.72	-66.25
COCCOC1=NC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095463	1	50	0.0	-41.48	382.57	5.37	-36.11
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(C)CC(=O)[O-])CC1	REAL300003095464	0	54	0.0	-62.11	380.42	8.13	-53.98
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(C)CC(=O)[O-])CC1	REAL300003095464	1	54	0.0	-61.60	372.74	7.73	-53.87
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=CC=C2C[NH+](C)C)CC1	REAL300003095465	1	51	0.0	-58.60	375.59	7.71	-50.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OCC3CC3)N=C2)CC1	REAL300003095466	0	50	0.0	-37.94	378.17	7.06	-30.88
CC(C)C(C(=O)N1CCN(C(C)CC(=O)[O-])CC1)[NH+]1CCCCC1	REAL300003095469	0	57	0.0	-63.67	383.66	7.82	-55.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2=CC=CC=C2)N(C)C)CC1	REAL300003095470	0	51	0.0	-51.93	373.35	7.76	-44.17
CCC1=NOC2=NC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C12	REAL300003095471	1	47	0.0	-42.12	357.45	6.08	-36.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C2=CC=CN=C2)CC1	REAL300003095472	0	49	0.0	-44.38	375.93	7.39	-36.99
CC(C)C1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CN1	REAL300003095473	0	46	0.0	-37.15	341.89	7.38	-29.77
CC(CC(=O)[O-])N1CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300003095474	1	56	0.0	-66.41	412.18	6.42	-59.99
CC(CC(=O)[O-])N1CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300003095474	1	56	0.0	-66.41	411.23	5.89	-60.52
CC(C)C(CC1CCCCC1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095475	0	61	0.0	-38.97	409.63	11.45	-27.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(OC3=CC=NC=C3)=C2)CC1	REAL300003095476	0	50	0.0	-57.48	385.89	9.07	-48.41
CC(C)NC1=NC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095477	0	50	0.0	-37.55	370.25	8.02	-29.53
CC1=NC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003095478	0	45	0.0	-51.38	354.83	7.56	-43.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC(C2=CC=CC=C2)C(F)(F)F)CC1	REAL300003095479	0	51	0.0	-54.32	397.38	8.25	-46.07
CC(C)C1=NC=CN1CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095480	0	52	0.0	-43.41	387.71	9.40	-34.01
CC(CC(=O)[O-])N1CCN(C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)CC1	REAL300003095481	0	54	0.0	-63.37	402.42	8.42	-54.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Br)=CN=C2N(C)C)CC1	REAL300003095482	0	47	0.0	-37.41	372.27	7.50	-29.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2(O)CCCCC2)CC1	REAL300003095483	0	50	0.0	-40.96	350.82	7.26	-33.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(NC3=CC=CC=C3)=C2)CC1	REAL300003095484	0	52	0.0	-52.85	392.34	10.25	-42.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2(C)NC(=O)NC2=O)CC1	REAL300003095485	0	51	0.0	-48.26	379.49	3.34	-44.92
CC(C)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003095486	0	48	0.0	-38.48	352.60	7.98	-30.50
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300003095487	0	55	0.0	-64.51	376.07	8.71	-55.80
CC(CC(=O)[O-])N1CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300003095487	1	55	0.0	-62.94	372.13	7.82	-55.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN3C=NC=C3C2)CC1	REAL300003095488	0	47	0.0	-45.70	342.31	8.96	-36.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=C(Cl)C(F)=C2)CC1	REAL300003095489	0	44	0.0	-61.03	358.68	9.51	-51.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CC3=NN=CN3)C=C2)CC1	REAL300003095490	0	49	0.0	-44.76	374.38	9.78	-34.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC(S(N)(=O)=O)=C2)CC1	REAL300003095491	1	42	0.0	-64.36	339.46	1.06	-63.30
CNS(=O)(=O)C1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CO1	REAL300003095492	1	45	0.0	-57.83	361.46	2.19	-55.64
CC(O)C1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003095493	1	43	0.0	-38.87	337.42	3.22	-35.65
COCC1=NN(C)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095494	0	47	0.0	-42.94	357.50	5.38	-37.56
CCC1=NN=C(C)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095495	0	47	0.0	-41.08	350.41	7.07	-34.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=NC(C3=CC=CC=C3)=C2)CC1	REAL300003095496	1	48	0.0	-41.45	364.01	8.53	-32.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(C3=CC=CC=C3F)C2)CC1	REAL300003095497	0	52	0.0	-43.77	380.39	8.62	-35.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(C3=CC=CC=C3Cl)C2)CC1	REAL300003095498	0	52	0.0	-42.27	390.12	9.30	-32.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OCC(F)(F)F)C=N2)CC1	REAL300003095499	0	46	0.0	-38.86	364.39	7.69	-31.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C(=CC=C2)N=CN3C)CC1	REAL300003095500	0	46	0.0	-45.09	343.26	9.12	-35.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3OC=CC3=CC(F)=C2)CC1	REAL300003095501	0	43	0.0	-40.04	334.35	8.39	-31.65
CC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)OC2=CC=C1	REAL300003095502	1	46	0.0	-36.82	348.67	9.36	-27.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2NC(=O)NC2=O)CC1	REAL300003095503	0	45	0.0	-51.43	343.49	2.21	-49.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(N(C)C)C=C2)CC1	REAL300003095504	0	52	0.0	-40.87	383.47	9.83	-31.04
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095505	0	48	0.0	-43.88	372.84	3.49	-40.39
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C	REAL300003095506	0	47	0.0	-37.96	344.03	8.58	-29.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CSCCS2)CC1	REAL300003095507	1	42	0.0	-50.94	329.47	8.01	-42.93
CC1=NNC(C)=C1CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095508	0	49	0.0	-42.66	364.93	7.29	-35.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(C3=CC=CC=N3)=N2)CC1	REAL300003095509	0	48	0.0	-50.09	383.11	8.08	-42.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CN2C2=CC=C(F)C=C2)CC1	REAL300003095510	0	47	0.0	-39.00	359.12	10.43	-28.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(N3CCOCC3)=CC=N2)CC1	REAL300003095511	0	52	0.0	-35.99	377.65	5.95	-30.04
CC1=NNC(C)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095512	0	46	0.0	-47.07	344.47	6.52	-40.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(S(N)(=O)=O)C=C2)CC1	REAL300003095513	0	51	0.0	-47.93	399.65	4.75	-43.18
COC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC2=CC=CC=C21	REAL300003095514	0	49	0.0	-36.80	369.68	8.20	-28.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C2=CC=NC=C2)CC1	REAL300003095515	0	49	0.0	-49.47	377.42	7.44	-42.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2=CC=CC=C2)N2CCSCC2)CC1	REAL300003095516	0	56	0.0	-41.75	412.67	9.77	-31.98
CC(C)C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)N1CC(C)OC(C)C1	REAL300003095517	0	61	0.0	-41.69	415.32	7.06	-34.63
CC(CC(=O)[O-])N1CCN(C(=O)C(C)[NH+]2CCCCCC2)CC1	REAL300003095518	0	54	0.0	-62.16	364.52	6.89	-55.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(NC3=CC=CC=N3)=N2)CC1	REAL300003095519	1	47	0.0	-38.72	371.98	9.33	-29.39
CCC(CC)N1C=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003095520	0	52	0.0	-36.49	379.16	9.07	-27.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(=O)C3=CC=CC=C32)CC1	REAL300003095521	0	49	0.0	-47.66	362.00	9.53	-38.13
CC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(N)=N1	REAL300003095522	0	43	0.0	-38.17	323.42	4.87	-33.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCC2=CC=C(O)C(F)=C2)CC1	REAL300003095523	0	50	0.0	-46.73	384.22	7.79	-38.94
COC1=CN=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003095524	1	42	0.0	-36.42	318.73	4.05	-32.37
CCC1=CC=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095525	0	45	0.0	-37.33	336.50	8.43	-28.90
COC(=CC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095526	0	48	0.0	-49.34	363.18	9.41	-39.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=NNN=C32)CC1	REAL300003095527	0	42	0.0	-43.93	320.42	5.29	-38.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=C2CCCC3)CC1	REAL300003095528	0	50	0.0	-37.56	360.24	10.37	-27.19
CC1=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C	REAL300003095529	0	47	0.0	-42.98	354.71	7.76	-35.22
CC1=CC=NC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C12	REAL300003095530	0	48	0.0	-40.97	358.36	8.85	-32.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN3N=NN=C23)CC1	REAL300003095531	0	41	0.0	-47.97	321.36	6.30	-41.67
CC(C)N1N=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095532	0	46	0.0	-39.27	337.31	7.26	-32.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C2CC2)CC1	REAL300003095533	0	47	0.0	-40.73	352.84	7.85	-32.88
CC1=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C	REAL300003095534	0	49	0.0	-42.95	366.04	7.99	-34.96
COC1=NOC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095535	0	46	0.0	-55.29	356.51	5.41	-49.88
COC1=CC=CC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NN=C21	REAL300003095536	0	47	0.0	-42.21	359.56	6.07	-36.14
CC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1O	REAL300003095537	0	47	0.0	-44.28	355.10	6.88	-37.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CN=CN2C)CC1	REAL300003095538	0	44	0.0	-41.63	333.41	8.58	-33.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CN=CS2)CC1	REAL300003095539	0	40	0.0	-41.41	318.22	6.73	-34.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNC3=NC=NC3=C2)CC1	REAL300003095540	0	42	0.0	-51.02	324.64	6.94	-44.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC3=NC=CN=C3C=C2)CC1	REAL300003095541	1	43	0.0	-39.54	329.60	6.33	-33.21
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(CC2CC2)=N1	REAL300003095542	1	49	0.0	-39.21	374.58	8.59	-30.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCN(CC(F)F)CC2)CC1	REAL300003095543	0	54	0.0	-41.96	389.27	7.90	-34.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CC=N3)=NO2)CC1	REAL300003095544	1	45	0.0	-40.59	351.85	7.42	-33.17
CCNC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003095545	1	44	0.0	-36.43	340.59	5.90	-30.53
COC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C2N=C1	REAL300003095546	0	49	0.0	-41.49	372.59	7.69	-33.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CCCCC3)CCCCC2)CC1	REAL300003095547	0	62	0.0	-37.20	399.98	11.07	-26.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CNC3=CC=CC(Cl)=C23)CC1	REAL300003095548	0	47	0.0	-40.14	368.53	9.43	-30.71
CC1=CC(C)=NC(=O)N1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095549	0	48	0.0	-53.40	362.58	6.42	-46.98
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300003095550	0	49	0.0	-57.10	378.76	10.32	-46.78
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095551	0	56	0.0	-38.35	419.61	9.85	-28.50
CCCCOC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(Cl)=C1	REAL300003095552	0	53	0.0	-38.97	409.72	10.29	-28.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(Br)C(O)=C2)CC1	REAL300003095553	0	44	0.0	-46.28	355.44	6.80	-39.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CSC(C3=CC=CC=C3O)=N2)CC1	REAL300003095554	0	49	0.0	-46.68	383.12	5.78	-40.90
CCCC1CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCO1	REAL300003095555	0	53	0.0	-53.61	379.89	8.27	-45.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3NC4=C(CN(C)CC4)C3=C2)CC1	REAL300003095556	0	56	0.0	-41.15	408.20	7.83	-33.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2NC2CCCCC2)CC1	REAL300003095557	0	58	0.0	-35.66	412.84	10.33	-25.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3C=C(Cl)C=C(Cl)C3=N2)CC1	REAL300003095558	0	43	0.0	-36.82	360.28	10.22	-26.60
COC1=C(Br)C=CC(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095559	0	47	0.0	-40.36	376.06	8.79	-31.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3C=NC4=CC=CC=C43)N=C2)CC1	REAL300003095560	0	52	0.0	-46.33	394.31	11.84	-34.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=NSN=C2N2CCOCC2)CC1	REAL300003095561	0	52	0.0	-54.52	403.95	3.94	-50.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CNC2=CC=C(S(C)(=O)=O)C=C2)CC1	REAL300003095562	0	51	0.0	-50.42	397.65	4.74	-45.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=C(C(F)(F)F)C=C3N2)CC1	REAL300003095563	0	47	0.0	-39.90	369.47	9.36	-30.54
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095564	0	50	0.0	-58.45	387.81	10.21	-48.24
CC1=CC=C(OCCCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1	REAL300003095565	0	56	0.0	-55.86	420.03	10.84	-45.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(N(C)C)=NC3=CC=CC=C32)CC1	REAL300003095566	0	53	0.0	-40.78	394.67	9.98	-30.80
CC1=CC=C(C2=NNC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)C=C1C	REAL300003095567	0	53	0.0	-40.76	396.50	9.54	-31.22
CC1=NNC(C)=C1C(C)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095568	0	52	0.0	-42.35	372.88	7.54	-34.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(N3CCCC3)=N2)CC1	REAL300003095569	0	50	0.0	-34.07	367.84	8.78	-25.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN(CC(F)(F)F)C2)CC1	REAL300003095570	0	51	0.0	-39.26	375.14	7.03	-32.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H](C)OC2=CC=C(Cl)C=C2)CC1	REAL300003095571	0	47	0.0	-42.43	363.76	9.74	-32.69
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095572	1	50	0.0	-37.25	376.11	10.38	-26.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC=C2OC2=CC=CC=C2)CC1	REAL300003095573	0	50	0.0	-42.19	383.55	9.17	-33.02
CC1=NN(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300003095574	0	53	0.0	-48.00	406.30	10.55	-37.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(OC2=CC=CC=C2)C(C)(C)O)CC1	REAL300003095575	0	54	0.0	-47.53	385.24	7.34	-40.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(C)(C)C)C(Cl)=C2)CC1	REAL300003095576	0	52	0.0	-37.74	381.00	10.41	-27.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C(=C2)CCCCC3=O)CC1	REAL300003095577	0	52	0.0	-55.01	383.92	10.09	-44.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=NC=CN3C2)CC1	REAL300003095578	0	47	0.0	-43.94	344.30	8.28	-35.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(CC3=CC=CC=C3)=NN2)CC1	REAL300003095579	0	50	0.0	-39.22	381.40	9.15	-30.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C2=CC=C(O)C=C2)C2CC2)CC1	REAL300003095580	0	54	0.0	-41.71	401.04	8.77	-32.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(CC3=CC=CC=C3)N(C)N=C2)CC1	REAL300003095581	0	53	0.0	-39.47	397.87	9.82	-29.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN3C=CN=C3C2)CC1	REAL300003095582	0	47	0.0	-44.84	340.89	8.16	-36.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=CN=CN3C2)CC1	REAL300003095583	0	47	0.0	-43.90	344.18	9.00	-34.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(=O)C3=CC=CC=C3)N=CN2)CC1	REAL300003095584	1	49	0.0	-48.32	380.11	9.53	-38.79
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095585	0	53	0.0	-41.15	389.67	8.26	-32.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCCCCS(N)(=O)=O)CC1	REAL300003095586	0	53	0.0	-62.05	409.88	4.16	-57.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OCC(F)F)N=C2)CC1	REAL300003095587	0	46	0.0	-42.64	360.96	5.93	-36.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(C)C(F)(F)F)C=C2)CC1	REAL300003095588	0	49	0.0	-38.53	372.49	10.05	-28.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(OCC(F)F)C=N2)CC1	REAL300003095589	1	45	0.0	-37.12	355.21	5.00	-32.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(N3CCOCC3)CC2)CC1	REAL300003095590	0	50	0.0	-40.65	353.15	4.62	-36.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(C(C)(C)O)CC2)CC1	REAL300003095591	0	56	0.0	-40.48	377.62	6.77	-33.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(OC3=CC=C(Cl)C=C3)CC2)CC1	REAL300003095592	0	48	0.0	-38.38	375.25	9.70	-28.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CS(=O)(=O)C2)CC1	REAL300003095593	0	43	0.0	-49.90	330.85	3.95	-45.95
CC(C)N1C=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003095594	0	49	0.0	-45.33	366.24	8.13	-37.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N2C)CC1	REAL300003095595	0	52	0.0	-44.32	392.94	10.35	-33.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC3=CC=CC=C3C=C2)CC1	REAL300003095596	0	51	0.0	-53.09	389.04	10.21	-42.88
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=C(N=CNC2=O)O1	REAL300003095597	1	45	0.0	-60.70	355.96	4.85	-55.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=CN=C2)CC1	REAL300003095598	0	45	0.0	-53.43	343.41	8.05	-45.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN=C2N2CCCC2)CC1	REAL300003095599	0	51	0.0	-42.56	370.49	8.11	-34.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NC3=CC=CC=C3N2)CC1	REAL300003095600	0	49	0.0	-54.89	374.83	8.53	-46.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=C(F)C=C3S2)CC1	REAL300003095601	1	43	0.0	-35.81	340.25	9.34	-26.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COCC2=NC3=CC=CC=C3S2)CC1	REAL300003095602	0	49	0.0	-49.66	390.22	8.82	-40.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(N3CCCC3)=CC=N2)CC1	REAL300003095603	0	51	0.0	-37.82	372.26	7.55	-30.27
CNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095604	0	51	0.0	-46.50	396.02	4.74	-41.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC3=CC=CC=C32)CC1	REAL300003095605	0	45	0.0	-39.57	337.32	8.30	-31.27
CC1=NC2=CC=CC=C2C(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095606	0	51	0.0	-43.20	380.77	9.42	-33.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(N(C)C)C=C2)CC1	REAL300003095607	0	54	0.0	-40.96	396.62	10.18	-30.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C(O)C2=NC3=CC=CC=C3S2)CC1	REAL300003095608	0	50	0.0	-41.02	387.11	4.29	-36.73
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C2C(=N1)ON=C2C(C)C	REAL300003095609	0	53	0.0	-44.75	397.75	6.82	-37.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C3=CC=CC=N3)=N2)CC1	REAL300003095610	1	45	0.0	-38.26	359.44	7.67	-30.59
CC[NH+](CC)CC1=CC=C(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)O1	REAL300003095611	0	54	0.0	-75.36	396.96	7.73	-67.63
CC(CC(=O)[O-])N1CCN(C(=O)CCCC[NH+]2CCCC2)CC1	REAL300003095612	1	54	0.0	-72.26	392.55	8.32	-63.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN(C)C2=CC=CC=C2)CC1	REAL300003095613	0	48	0.0	-54.78	357.98	9.20	-45.58
CC1=CC=C(N2CCC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2)N=C1	REAL300003095614	0	57	0.0	-40.49	412.37	9.36	-31.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN(C)CC2=CC=CC=C2)CC1	REAL300003095615	0	51	0.0	-53.56	377.87	8.05	-45.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(N(C)C)=CC=N2)CC1	REAL300003095616	0	47	0.0	-37.80	346.42	7.43	-30.37
CCCCN(CC)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003095617	0	60	0.0	-36.27	435.50	11.74	-24.53
CCCCN(C)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003095618	0	57	0.0	-37.65	413.28	10.77	-26.88
CCCN(CC)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003095619	0	56	0.0	-39.33	408.74	10.30	-29.03
CC(=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300003095620	0	47	0.0	-50.63	372.46	10.78	-39.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=NN(C)C=C2)CC1	REAL300003095621	0	46	0.0	-53.40	351.40	7.52	-45.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=CO3)N2)CC1	REAL300003095622	0	41	0.0	-41.46	310.93	6.46	-35.00
CC1=CC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=NN2C=C1	REAL300003095623	0	46	0.0	-40.42	350.11	8.44	-31.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNC3=NC=CC3=C2)CC1	REAL300003095625	0	43	0.0	-45.08	323.75	7.27	-37.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3NC=CC3=C2)CC1	REAL300003095625	1	43	0.0	-39.96	323.93	7.19	-32.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=NNC=C3)S2)CC1	REAL300003095626	1	44	0.0	-42.57	349.55	7.04	-35.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NN2CC(F)(F)F)CC1	REAL300003095627	0	43	0.0	-41.63	334.02	7.01	-34.62
CC(C)CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)N1C=CN=C1	REAL300003095628	0	52	0.0	-44.17	378.67	10.51	-33.66
CCC1=NN(C)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095629	0	46	0.0	-40.63	341.94	7.00	-33.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN3CCCCC3=C2)CC1	REAL300003095630	0	47	0.0	-37.37	343.88	7.99	-29.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(N3C=CN=N3)C=CS2)CC1	REAL300003095631	1	43	0.0	-49.05	345.60	7.11	-41.94
CCC(C)(C)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003095632	0	55	0.0	-36.65	388.09	10.65	-26.00
CC(=O)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N1	REAL300003095633	0	43	0.0	-40.80	328.72	6.66	-34.14
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1OC	REAL300003095634	0	51	0.0	-39.39	379.88	7.95	-31.44
COCCN1N=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095635	0	47	0.0	-40.28	351.20	5.59	-34.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=NN2C2=CC=CC(F)=C2)CC1	REAL300003095636	1	46	0.0	-43.68	354.17	7.63	-36.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=NC=C3)N=C2)CC1	REAL300003095637	0	46	0.0	-41.28	352.33	7.31	-33.97
CC(CC1=CC=C(Br)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095638	0	49	0.0	-51.84	384.74	10.73	-41.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNN=C2C2=CC=C(Cl)S2)CC1	REAL300003095639	0	44	0.0	-41.38	366.26	7.80	-33.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3=CC=C(Cl)S3)NN=C2)CC1	REAL300003095639	1	44	0.0	-39.15	369.21	7.65	-31.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C2=CC=C(Cl)S2)CC1	REAL300003095640	0	47	0.0	-42.54	384.04	8.98	-33.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2COC(C)(C)C)CC1	REAL300003095641	0	56	0.0	-37.01	402.66	9.91	-27.10
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)N1C1=CN(C)N=C1	REAL300003095642	0	54	0.0	-40.66	409.81	9.78	-30.88
CCOC1=C2C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CNC2=CC=C1	REAL300003095643	0	54	0.0	-42.90	405.86	9.31	-33.59
CCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCOCC1	REAL300003095644	0	50	0.0	-38.86	337.12	6.48	-32.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(Cl)C(N)=C2Cl)CC1	REAL300003095645	0	42	0.0	-37.44	341.74	6.94	-30.50
CCCC1=NOC2=NC(CC)=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C12	REAL300003095646	0	56	0.0	-48.68	417.48	7.84	-40.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC3CC3)N=N2)CC1	REAL300003095647	1	46	0.0	-38.18	350.84	7.29	-30.89
CCCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=N1	REAL300003095648	1	45	0.0	-37.65	340.58	6.51	-31.14
CC(C)N1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=N1	REAL300003095649	1	45	0.0	-37.63	338.22	6.24	-31.39
CC1=NC(CN2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=N2)=NO1	REAL300003095650	1	47	0.0	-41.88	370.56	4.25	-37.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNN=C2C2=CSC=C2)CC1	REAL300003095651	0	44	0.0	-42.31	350.32	6.90	-35.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC3CCOC3)N=N2)CC1	REAL300003095652	1	50	0.0	-40.04	375.05	5.81	-34.23
CC1=CC(CN2N=NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2C)=NO1	REAL300003095653	1	51	0.0	-40.93	391.88	7.37	-33.56
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1CC1CCCC1	REAL300003095654	1	55	0.0	-36.82	401.26	8.93	-27.89
CC(CC1=CN(C)N=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095656	0	49	0.0	-42.35	362.07	7.74	-34.61
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C(C2=CN(C)N=C2)O1	REAL300003095657	1	49	0.0	-38.34	377.72	6.22	-32.12
CC1=NC2=CC=NN2C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095658	0	45	0.0	-42.81	345.12	7.56	-35.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(OCC(F)F)=C2)CC1	REAL300003095659	0	46	0.0	-43.07	359.70	5.89	-37.18
CC(C)CN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C(F)F)=N1	REAL300003095660	0	52	0.0	-44.26	392.43	8.92	-35.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN=C2OCC(F)F)CC1	REAL300003095661	1	46	0.0	-44.08	361.96	6.34	-37.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(OCC(F)F)=N2)CC1	REAL300003095662	0	46	0.0	-38.16	358.17	7.15	-31.01
CC(=O)C1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1C	REAL300003095663	0	48	0.0	-40.47	353.74	8.97	-31.50
CC1=CC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=CN2C=C1	REAL300003095664	0	46	0.0	-39.75	346.08	10.78	-28.97
CCC1=CC=CN=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095665	0	45	0.0	-36.57	336.34	7.67	-28.90
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1CCCCC1	REAL300003095666	0	56	0.0	-36.70	404.95	10.25	-26.45
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C(C)C1CC1	REAL300003095667	0	53	0.0	-36.92	392.99	9.84	-27.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(CN(C)C)=C2)CC1	REAL300003095668	1	47	0.0	-36.30	352.23	5.44	-30.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(N(C)C)N=CN=C3N2C)CC1	REAL300003095669	0	53	0.0	-43.06	387.48	8.74	-34.32
CCC(CC)N1N=C(C)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095670	0	55	0.0	-37.86	399.13	9.30	-28.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(OCC(F)F)=CC=N2)CC1	REAL300003095671	1	46	0.0	-43.23	358.26	7.60	-35.63
CC(CC(=O)[O-])N1CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)CC1	REAL300003095672	1	58	0.0	-69.58	418.88	10.10	-59.48
CC(CC(=O)[O-])N1CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)CC1	REAL300003095672	1	58	0.0	-71.94	420.74	10.08	-61.86
COC1=CC=CN2N=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C12	REAL300003095673	0	47	0.0	-41.95	349.46	8.25	-33.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3CCC3)N=C2)CC1	REAL300003095674	0	47	0.0	-39.35	346.57	7.63	-31.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=NC=CC=C3O2)CC1	REAL300003095675	1	42	0.0	-40.69	322.38	6.75	-33.94
COCCCOC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003095676	0	57	0.0	-39.34	422.37	8.77	-30.57
COC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1C(F)(F)F	REAL300003095677	0	50	0.0	-36.69	376.70	8.46	-28.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NN2C2CCC2)CC1	REAL300003095678	0	47	0.0	-38.17	342.96	7.91	-30.26
CC1=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC=N1	REAL300003095679	0	43	0.0	-40.87	337.71	7.25	-33.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(Cl)C=C2)CC1	REAL300003095680	0	44	0.0	-40.12	349.64	9.97	-30.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=C2OCC3)CC1	REAL300003095681	0	45	0.0	-40.27	336.95	7.88	-32.39
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C(C(C)(C)C)O1	REAL300003095682	0	52	0.0	-37.54	381.87	9.54	-28.00
CC1=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NO1	REAL300003095683	0	45	0.0	-52.82	345.48	7.94	-44.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CN=C(C(C)(C)C)S2)CC1	REAL300003095684	0	52	0.0	-40.79	399.38	9.22	-31.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(NS(C)(=O)=O)C=C2)CC1	REAL300003095685	0	52	0.0	-49.63	406.18	6.17	-43.46
CCC(C)OC1=CC=CC=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095686	0	57	0.0	-42.55	421.85	11.18	-31.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=NC3=CC(Cl)=CC=C3C=C2)CC1	REAL300003095687	0	49	0.0	-52.61	396.58	10.59	-42.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNC=C2CC2=CC=CC=C2)CC1	REAL300003095688	0	51	0.0	-41.50	378.04	10.19	-31.31
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(C)CC(=O)[O-])CC1	REAL300003095689	0	51	0.0	-63.32	348.17	7.25	-56.07
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(C)CC(=O)[O-])CC1	REAL300003095689	1	51	0.0	-62.13	355.89	6.45	-55.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3CC3)OC(C3CC3)=C2)CC1	REAL300003095690	0	51	0.0	-37.93	384.07	10.76	-27.17
CC1=CC=CC=C1C(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095691	0	49	0.0	-39.48	355.36	9.95	-29.53
COC1=NN(C)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095692	1	44	0.0	-45.61	336.01	3.66	-41.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC(OC3CCCC3)=C2)CC1	REAL300003095693	0	58	0.0	-53.87	430.00	11.67	-42.20
CCC1=CC=C(Br)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095694	0	46	0.0	-36.68	359.08	9.90	-26.78
COC1=CC(Br)=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095695	0	44	0.0	-51.95	351.10	7.81	-44.14
CC(CC(=O)[O-])N1CCN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)CC1	REAL300003095696	1	59	0.0	-77.89	441.80	9.44	-68.45
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NC=N1	REAL300003095697	1	42	0.0	-36.27	320.80	5.36	-30.91
COC1=NC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003095698	1	42	0.0	-37.09	321.11	3.96	-33.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C(Br)=CC=CN3N=C2)CC1	REAL300003095699	0	43	0.0	-40.34	343.09	8.23	-32.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(F)(F)F)O2)CC1	REAL300003095700	1	40	0.0	-36.10	321.41	7.45	-28.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)C(C)(C)C2(C)C)CC1	REAL300003095701	0	52	0.0	-38.55	351.01	8.83	-29.72
CCC1=NOC(COCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003095702	0	48	0.0	-51.27	371.61	5.60	-45.67
COC1=CC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C(C)N=C2C=C1	REAL300003095703	0	52	0.0	-39.56	388.77	8.30	-31.26
CC1=CC=CC=C1C1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095704	0	53	0.0	-42.56	389.88	11.88	-30.68
CC1=CC2=CC=C(C)C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2C=C1	REAL300003095705	0	52	0.0	-37.96	388.99	11.42	-26.54
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(OC(F)(F)F)=C1	REAL300003095706	0	47	0.0	-39.71	367.55	8.84	-30.87
CC1=CN=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1	REAL300003095707	0	45	0.0	-40.33	340.01	7.37	-32.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(C3=CC=CO3)=C2)CC1	REAL300003095708	0	46	0.0	-39.56	354.63	7.90	-31.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(C(F)(F)F)=N2)CC1	REAL300003095709	1	41	0.0	-36.24	327.83	6.05	-30.19
CCCOC1=NC2=CC=CC=C2C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095710	1	55	0.0	-41.46	415.92	8.98	-32.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(C3=CC=CC=N3)=N2)CC1	REAL300003095711	1	47	0.0	-37.25	363.43	8.22	-29.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=COC3=CC=N2)CC1	REAL300003095712	0	42	0.0	-39.76	318.72	7.36	-32.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CCOC2CCCC3)CC1	REAL300003095713	0	51	0.0	-39.64	343.63	7.53	-32.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	REAL300003095714	0	57	0.0	-44.80	406.02	5.67	-39.13
CC1=CN=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003095715	0	45	0.0	-35.69	332.38	8.25	-27.44
CC(CC(=O)[O-])N1CCN(C(=O)COC2CC[NH+](C)CC2)CC1	REAL300003095716	1	52	0.0	-76.90	381.13	7.12	-69.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3CCCCC3=N2)CC1	REAL300003095717	0	47	0.0	-36.70	343.37	8.96	-27.74
CC1=NN(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=NC=CC=C12	REAL300003095718	0	48	0.0	-46.14	369.50	8.32	-37.82
CCCOC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(F)C=C1C	REAL300003095719	0	56	0.0	-43.63	412.51	10.46	-33.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3CC3)=NN2C)CC1	REAL300003095720	0	47	0.0	-39.95	347.50	7.79	-32.16
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300003095721	0	55	0.0	-72.31	402.24	8.49	-63.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=C(N(C)C)C=C2)CC1	REAL300003095722	0	55	0.0	-40.44	403.03	10.68	-29.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2COC3=C(F)C=C(F)C=C3C2)CC1	REAL300003095723	0	48	0.0	-40.87	366.59	8.84	-32.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CC3CC3)S2)CC1	REAL300003095724	1	47	0.0	-37.94	364.42	10.14	-27.80
COC1=CC(OC)=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095725	0	51	0.0	-45.24	383.10	7.59	-37.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C3=CC=CC=C3)=N2)CC1	REAL300003095726	0	49	0.0	-36.80	368.16	10.50	-26.30
CC1=C2NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=CC=C1[N+](=O)[O-]	REAL300003095727	0	49	0.0	-43.44	373.25	9.57	-33.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=CNN=C32)CC1	REAL300003095728	0	44	0.0	-39.51	321.61	6.30	-33.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCCCCCCC2CC2)CC1	REAL300003095729	0	61	0.0	-51.30	449.27	13.06	-38.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCCOCC2)CC1	REAL300003095730	0	50	0.0	-40.98	349.35	7.48	-33.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@]23CCO[C@@H]2CCCCC3)CC1	REAL300003095731	0	54	0.0	-42.58	343.66	7.20	-35.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CCC(C)(CC2)OC3)CC1	REAL300003095732	0	51	0.0	-37.34	347.91	7.16	-30.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CCC(C)CC2)CC1	REAL300003095733	0	52	0.0	-39.28	348.76	8.92	-30.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3=C2NN=C3)CC1	REAL300003095735	0	47	0.0	-55.68	344.13	6.87	-48.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3=CNN=C32)CC1	REAL300003095735	1	47	0.0	-37.77	343.29	6.87	-30.90
COC1=C2C=CSC2=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003095736	0	47	0.0	-39.96	366.49	8.67	-31.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C3(C)CC3)=C2)CC1	REAL300003095737	0	50	0.0	-36.74	364.03	10.39	-26.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCC(C)C3)C=C2)CC1	REAL300003095738	0	55	0.0	-36.71	397.19	9.09	-27.62
C=CCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003095739	0	44	0.0	-38.98	335.56	7.09	-31.89
CC1=NOC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095740	0	45	0.0	-54.96	345.50	8.00	-46.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C(=C2)CCS3(=O)=O)CC1	REAL300003095741	1	47	0.0	-47.12	361.99	5.79	-41.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(C3CCC3)=C2)CC1	REAL300003095742	1	46	0.0	-35.53	345.08	8.73	-26.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC=C2C2=CC=CC=C2)CC1	REAL300003095743	0	46	0.0	-37.88	352.56	9.51	-28.37
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC(F)=CC(F)=C1	REAL300003095744	0	46	0.0	-39.77	352.03	9.46	-30.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COCC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300003095745	0	50	0.0	-58.38	400.41	10.44	-47.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2C(C)(C)C2(C)C)CC1	REAL300003095746	0	52	0.0	-40.63	367.07	9.63	-31.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=C(Cl)C=C3S2)CC1	REAL300003095747	1	43	0.0	-35.38	350.57	9.77	-25.61
COC1=CC=CC(N2C=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=N2)=C1	REAL300003095748	0	51	0.0	-38.45	387.12	8.98	-29.47
COC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC(F)=CC(F)=C1	REAL300003095749	0	47	0.0	-42.58	363.61	8.94	-33.64
COC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=CC(Cl)=C1	REAL300003095750	0	48	0.0	-38.70	376.75	8.20	-30.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3(C2)CC(C)(C)C3)CC1	REAL300003095751	0	53	0.0	-38.99	371.70	10.01	-28.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=CC=C3)C=N2)CC1	REAL300003095752	0	49	0.0	-36.41	367.80	10.42	-25.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC3CCCO3)N=N2)CC1	REAL300003095753	1	50	0.0	-39.18	376.30	5.97	-33.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)CC1	REAL300003095754	0	55	0.0	-37.78	379.74	9.90	-27.88
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(OC)=N1	REAL300003095755	1	47	0.0	-41.70	355.20	4.42	-37.28
CC(C)CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C(C)C	REAL300003095756	0	54	0.0	-38.15	371.44	9.40	-28.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C3CCC(C3)C2(C)C)CC1	REAL300003095757	0	53	0.0	-35.03	350.72	9.60	-25.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN3C=CC(C(F)(F)F)=NC3=N2)CC1	REAL300003095758	1	44	0.0	-42.95	358.39	10.09	-32.86
COCC1CCN(C2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2)C1	REAL300003095759	0	59	0.0	-39.19	425.08	7.92	-31.27
COC1=CC=CC(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095760	0	47	0.0	-38.55	352.33	8.01	-30.54
CC(C)C1=CC=C(Cl)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095761	0	49	0.0	-37.05	373.51	10.30	-26.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CS3)CC2)CC1	REAL300003095762	0	44	0.0	-37.50	341.39	9.08	-28.42
CCC(C)(COCC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095763	0	59	0.0	-38.44	423.17	10.39	-28.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(CCC2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300003095764	0	59	0.0	-42.76	437.38	13.57	-29.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CCOCC3)CC2)CC1	REAL300003095765	0	51	0.0	-39.99	359.09	7.88	-32.11
CC(CC(=O)[O-])N1CCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)CC1	REAL300003095766	1	57	0.0	-68.85	410.89	7.89	-60.96
CC(CC(=O)[O-])N1CCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)CC1	REAL300003095766	1	57	0.0	-69.15	409.64	7.52	-61.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CC3CCC(C2)S3)CC1	REAL300003095767	0	51	0.0	-55.72	348.30	9.00	-46.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CC3CCC(C2)S3(=O)=O)CC1	REAL300003095768	0	53	0.0	-54.65	362.56	5.39	-49.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C(F)(F)F)CC1	REAL300003095769	0	44	0.0	-43.13	334.22	6.26	-36.87
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CC=CS2)=NO1	REAL300003095770	0	46	0.0	-43.16	373.23	9.15	-34.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300003095771	0	47	0.0	-43.36	384.42	8.43	-34.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2=CC=CC3=C2OCC3)CC1	REAL300003095772	0	49	0.0	-36.61	357.55	6.90	-29.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(O)C2CCCC2)CC1	REAL300003095773	0	50	0.0	-54.54	358.40	7.29	-47.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(CC(F)(F)F)C=C2)CC1	REAL300003095774	0	43	0.0	-42.10	341.24	7.68	-34.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=C(OC(F)F)C=C2)CC1	REAL300003095775	0	51	0.0	-54.53	393.82	9.91	-44.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2(C)CCCC2)CC1	REAL300003095776	0	50	0.0	-43.18	357.74	8.76	-34.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC=C3C=N2)CC1	REAL300003095777	0	45	0.0	-36.82	339.69	9.30	-27.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2CC(F)(F)C2)CC1	REAL300003095778	0	46	0.0	-42.91	347.05	9.02	-33.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2COC3=CC(Cl)=CC=C3C2)CC1	REAL300003095779	0	48	0.0	-42.01	370.80	9.20	-32.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2COCC(C)(C)O2)CC1	REAL300003095780	0	51	0.0	-42.75	366.76	7.23	-35.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCOC(C)(C)C2)CC1	REAL300003095781	0	50	0.0	-42.35	346.94	7.01	-35.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCCC(F)(F)F)CC1	REAL300003095782	0	45	0.0	-52.96	349.79	8.75	-44.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2C[C@@H](OC(F)F)C2)CC1	REAL300003095783	0	44	0.0	-41.55	336.13	6.56	-34.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C(C)(C)C)=N2)CC1	REAL300003095784	0	51	0.0	-35.93	370.03	9.44	-26.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(N3C=NC=N3)=N2)CC1	REAL300003095785	0	45	0.0	-40.04	349.38	10.62	-29.42
COC1=CC=CC=C1C1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003095786	1	50	0.0	-39.41	388.48	8.53	-30.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3N(CCNS3(=O)=O)N=C2)CC1	REAL300003095787	1	46	0.0	-48.22	360.51	1.12	-47.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NN2C(C)(C)C)CC1	REAL300003095788	0	49	0.0	-38.77	347.28	7.55	-31.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2C2CC2)CC1	REAL300003095789	0	50	0.0	-52.59	356.83	9.72	-42.87
CC1=NC2=C(CCCC2CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003095790	0	52	0.0	-43.74	378.03	7.83	-35.91
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CN=CC=C12	REAL300003095791	0	49	0.0	-39.94	366.27	7.75	-32.19
CCCCCC1=CC=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095792	0	58	0.0	-40.70	431.68	12.73	-27.97
CCCCC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003095793	1	48	0.0	-37.72	369.65	8.08	-29.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(COC(C)(C)C)S2)CC1	REAL300003095794	1	52	0.0	-36.89	393.33	6.91	-29.98
CCC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003095795	1	42	0.0	-35.35	326.71	7.25	-28.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NNC=C2C2CC2)CC1	REAL300003095796	0	44	0.0	-39.02	327.72	7.11	-31.91
COC1=CC(F)=CC(N2C=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=N2)=C1	REAL300003095797	0	51	0.0	-37.77	393.35	9.06	-28.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3CC3CC2)CC1	REAL300003095798	0	50	0.0	-39.47	340.51	9.28	-30.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC=CCC2)CC1	REAL300003095799	0	50	0.0	-38.03	350.00	9.66	-28.37
CC(=O)N1CSC[C@@H]1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095800	0	45	0.0	-44.34	337.88	7.34	-37.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CCCC(C)(C)C2)CC1	REAL300003095801	0	50	0.0	-37.75	355.86	9.24	-28.51
COCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCCO1	REAL300003095802	0	51	0.0	-34.35	350.16	6.92	-27.43
CC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C(F)(F)F	REAL300003095803	0	46	0.0	-38.85	349.58	9.39	-29.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(N(C)C)C=CC=C3S2)CC1	REAL300003095804	1	51	0.0	-36.15	388.36	8.75	-27.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C3CC2(C2=CC=NC=C2)CC3)CC1	REAL300003095805	0	53	0.0	-55.02	385.80	9.83	-45.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=C(F)C=C2F)CC1	REAL300003095806	0	47	0.0	-46.03	363.62	10.38	-35.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2CCCCCCC2)CC1	REAL300003095807	0	56	0.0	-38.45	367.62	7.67	-30.78
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C2CCCCC2=N1	REAL300003095808	0	52	0.0	-38.57	377.22	9.20	-29.37
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095809	0	57	0.0	-40.46	417.79	11.09	-29.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CN=C2)CC1	REAL300003095810	0	43	0.0	-53.63	330.99	7.71	-45.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(O)(C3=CC=CC=C3)C2)CC1	REAL300003095811	0	54	0.0	-44.90	388.14	8.05	-36.85
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003095812	0	54	0.0	-44.97	398.34	7.55	-37.42
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003095813	0	58	0.0	-45.03	432.01	6.58	-38.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C2=CN(C)N=C2)CC1	REAL300003095814	0	51	0.0	-44.16	376.75	6.68	-37.48
CC1=C([C@@H]2OCC[C@H]2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C	REAL300003095815	0	54	0.0	-43.53	391.96	7.08	-36.45
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095816	0	60	0.0	-46.84	429.19	8.50	-38.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C)C(C3=CC=C(F)C=C3)=C2)CC1	REAL300003095817	1	50	0.0	-38.83	381.74	9.66	-29.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCCO[C@H]2C2=CC=NN2C)CC1	REAL300003095818	0	54	0.0	-42.29	389.06	7.59	-34.70
CC(C)C1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C(C)C)O1	REAL300003095819	0	55	0.0	-36.44	404.54	10.43	-26.01
COC1=CC=C(N2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=N2)C=C1	REAL300003095820	1	50	0.0	-38.82	383.21	7.57	-31.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=NN=C2C2=CC=CC=C2)CC1	REAL300003095821	0	48	0.0	-49.17	367.21	7.78	-41.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3CC3)O2)CC1	REAL300003095822	1	44	0.0	-36.32	334.01	8.62	-27.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3=CC=CC=N3)N=C2)CC1	REAL300003095823	1	47	0.0	-60.08	365.82	7.28	-52.80
COC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1	REAL300003095824	0	50	0.0	-43.17	370.29	8.77	-34.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C)C(C(F)F)=C2)CC1	REAL300003095825	1	43	0.0	-37.48	333.83	7.09	-30.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC2C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300003095826	0	49	0.0	-47.56	371.75	10.87	-36.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(S(C)(=O)=O)C=C2)CC1	REAL300003095827	0	52	0.0	-48.21	406.16	7.31	-40.90
CC(C)CC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003095828	1	48	0.0	-37.60	364.92	7.77	-29.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C3CCCCC3)=C2)CC1	REAL300003095829	0	53	0.0	-36.09	393.06	10.92	-25.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1	REAL300003095830	0	48	0.0	-39.88	338.66	9.51	-30.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(CC(C)(C)C)S2)CC1	REAL300003095831	1	51	0.0	-37.28	381.65	8.33	-28.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3CC3CC2C)CC1	REAL300003095832	0	50	0.0	-37.32	349.33	9.55	-27.77
CCCC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095833	0	49	0.0	-35.68	357.84	10.09	-25.59
COC12CCC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)(CC1)CC2	REAL300003095834	0	54	0.0	-39.46	361.73	7.52	-31.94
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095835	0	57	0.0	-56.56	416.53	8.34	-48.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=NOC(C3CC3)=C2)CC1	REAL300003095836	0	46	0.0	-46.44	351.86	8.77	-37.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC=C2)CC1	REAL300003095837	0	44	0.0	-52.40	336.12	9.48	-42.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC=C2Cl)CC1	REAL300003095838	0	44	0.0	-43.00	347.20	9.88	-33.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC(F)=C2)CC1	REAL300003095839	0	44	0.0	-55.17	342.53	9.54	-45.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(Br)O2)CC1	REAL300003095840	0	41	0.0	-50.07	339.98	8.38	-41.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3SC=NC3=C2)CC1	REAL300003095841	0	42	0.0	-41.12	328.57	7.26	-33.86
CSC1=CC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003095842	0	50	0.0	-41.53	385.69	10.82	-30.71
CC1=NC=C([N+](=O)[O-])N1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095843	0	45	0.0	-46.97	350.70	9.19	-37.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(P(C)(C)=O)C=C2)CC1	REAL300003095844	0	49	0.0	-43.89	377.75	7.44	-36.45
COC1=CC(=O)NC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095845	0	44	0.0	-51.13	337.21	4.39	-46.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(N3C=CC=C3)=CC=C2Cl)CC1	REAL300003095846	0	48	0.0	-39.88	371.70	11.16	-28.72
CCCCS(=O)(=O)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095847	1	48	0.0	-55.55	370.03	5.49	-50.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2CCCCCC2)CC1	REAL300003095848	0	53	0.0	-54.52	374.93	9.46	-45.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1	REAL300003095849	0	50	0.0	-49.99	346.83	9.52	-40.47
COC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCCCC1	REAL300003095850	0	53	0.0	-35.29	352.98	8.17	-27.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=C2CCCCC3)CC1	REAL300003095851	0	53	0.0	-37.02	371.82	10.86	-26.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=NN(CC(F)(F)F)C=C2)CC1	REAL300003095852	0	46	0.0	-48.32	365.42	8.12	-40.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2C2CCC2)CC1	REAL300003095853	0	50	0.0	-36.45	361.62	10.51	-25.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2N2C=CC=C2)CC1	REAL300003095854	0	48	0.0	-43.16	363.36	11.00	-32.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC=C2N2CCOCC2)CC1	REAL300003095855	0	52	0.0	-39.28	381.73	5.67	-33.61
CCOC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C2C=C1	REAL300003095856	0	53	0.0	-39.49	399.70	10.56	-28.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C(F)C2=CC=CC=C2)CC1	REAL300003095857	0	52	0.0	-41.11	367.89	9.98	-31.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3(C)CC3)C=C2)CC1	REAL300003095858	0	50	0.0	-40.62	363.21	10.38	-30.24
CC(C)CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003095859	1	49	0.0	-35.77	369.04	9.64	-26.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C3OCCCC3=C2)CC1	REAL300003095860	0	54	0.0	-53.72	402.28	10.46	-43.26
CC1=NN(C2=CC=CC=C2)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095861	0	50	0.0	-40.82	374.58	9.57	-31.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C(=O)C3=CC=CC=C3)=CN2)CC1	REAL300003095862	0	50	0.0	-48.75	381.38	9.53	-39.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=C(F)C=C3)=NN2C)CC1	REAL300003095863	0	50	0.0	-40.25	382.21	9.36	-30.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3CC3)C=C2)CC1	REAL300003095864	0	48	0.0	-38.47	357.54	8.89	-29.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC=CC3=NC=NC=C32)CC1	REAL300003095865	0	43	0.0	-40.66	333.56	6.35	-34.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(O)CC(C3=CC=CC=C3)C2)CC1	REAL300003095866	0	51	0.0	-54.16	375.35	7.75	-46.41
COC1=C(Cl)C=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095867	0	44	0.0	-40.99	345.75	8.84	-32.15
CC(C)C1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C(C)C)N1	REAL300003095868	0	56	0.0	-37.21	405.82	9.58	-27.63
CCCOC1=CC=C2NC=C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=C1	REAL300003095869	0	57	0.0	-42.78	428.92	10.03	-32.75
CC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C2CCCCN12	REAL300003095870	0	50	0.0	-36.96	361.61	9.51	-27.45
CC1=C(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C(F)(F)F)O1	REAL300003095871	1	46	0.0	-37.56	367.32	8.76	-28.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3CCOCC3=C2)CC1	REAL300003095872	0	46	0.0	-38.95	338.55	6.84	-32.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(CC2=CC=CC=C2)C2CC2)CC1	REAL300003095873	0	53	0.0	-36.99	388.52	11.59	-25.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=CC=C2C2=CC=CC=C2)CC1	REAL300003095874	0	50	0.0	-43.62	376.67	9.36	-34.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC3CC3C2)CC1	REAL300003095875	0	50	0.0	-40.09	351.88	9.87	-30.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(C3=CC=CN=C3)=N2)CC1	REAL300003095876	1	45	0.0	-38.58	359.31	7.81	-30.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3=CC=CC=C3F)OC=N2)CC1	REAL300003095877	0	46	0.0	-41.45	364.32	6.61	-34.84
CC(C)C1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CN1	REAL300003095878	0	47	0.0	-37.52	345.88	7.79	-29.73
CC1=CN=C2C(=C1)C=NN2CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095879	0	48	0.0	-60.29	372.25	8.35	-51.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC3CCCCO3)N=C2)CC1	REAL300003095880	0	54	0.0	-39.79	397.82	7.59	-32.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC3=C2CCCCCC3)CC1	REAL300003095881	0	53	0.0	-35.98	376.34	10.46	-25.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CC=CN3C=N2)CC1	REAL300003095882	0	43	0.0	-39.40	324.29	10.16	-29.24
CC1=CC=CN2N=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C12	REAL300003095883	1	46	0.0	-38.28	348.01	8.86	-29.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC3=C2CCC(C)(C)C3)CC1	REAL300003095884	0	53	0.0	-37.49	386.06	10.47	-27.02
CC1=CC2=CC=NC=C2C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095885	0	48	0.0	-40.60	360.97	9.07	-31.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCOCCOC(C)(C)C)CC1	REAL300003095886	0	56	0.0	-52.45	412.48	7.45	-45.00
CC(C)C1CCC2=C(C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)S2)C1	REAL300003095887	1	56	0.0	-37.32	407.36	11.25	-26.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3C=NN(C)C3=C2)CC1	REAL300003095888	0	45	0.0	-41.09	341.71	5.95	-35.14
CCOCCOCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095889	0	50	0.0	-52.68	378.18	6.31	-46.37
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095890	0	50	0.0	-40.81	387.17	9.77	-31.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2(C)CCOCC2)CC1	REAL300003095891	0	51	0.0	-42.57	363.74	7.05	-35.52
CC1=CC=CN2C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CN=C12	REAL300003095892	0	49	0.0	-52.21	372.11	9.93	-42.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCO2)CC1	REAL300003095893	0	48	0.0	-36.73	349.98	7.85	-28.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(S(C)(=O)=O)C=C2)CC1	REAL300003095894	0	49	0.0	-62.61	387.88	6.54	-56.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CS3)CC3(CCC3)C2)CC1	REAL300003095895	0	54	0.0	-34.16	399.44	11.16	-23.00
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CC=CC=C2)=CO1	REAL300003095896	0	50	0.0	-37.22	388.71	10.68	-26.54
CC1=C(CC(F)(F)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C2N1	REAL300003095897	1	53	0.0	-38.05	405.16	10.31	-27.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Cl)C=CC=C2OCC2CC2)CC1	REAL300003095898	0	51	0.0	-38.79	402.13	10.39	-28.40
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2CCCCC2)=NO1	REAL300003095899	1	55	0.0	-41.57	407.01	10.28	-31.29
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2CCCC2)=NO1	REAL300003095900	1	52	0.0	-41.69	388.57	9.63	-32.06
CC1=CSC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095901	0	43	0.0	-41.83	336.02	8.73	-33.10
CC(C)COC1=CC=C(Cl)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095902	0	53	0.0	-39.39	404.76	11.09	-28.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CN(C)N=C3)CCCO2)CC1	REAL300003095903	0	51	0.0	-40.69	369.77	6.81	-33.88
COCCOC1=CC=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003095904	0	55	0.0	-56.85	421.07	8.98	-47.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC=C2N2C=CC=N2)CC1	REAL300003095905	0	51	0.0	-47.96	390.30	10.92	-37.04
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095906	0	50	0.0	-41.13	389.48	10.99	-30.14
CC1=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300003095907	0	50	0.0	-54.58	390.43	11.00	-43.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(C3CC3)C=C2)CC1	REAL300003095908	0	51	0.0	-40.34	382.13	11.56	-28.78
CCOC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003095909	0	54	0.0	-53.79	407.42	10.46	-43.33
CC1=CC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1OC(C)C	REAL300003095910	0	57	0.0	-53.56	425.18	11.10	-42.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3COCCN3C(C3=CC=CC=C3)=N2)CC1	REAL300003095911	0	55	0.0	-37.65	406.58	9.81	-27.84
C=CCCCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003095912	0	53	0.0	-38.46	396.23	11.43	-27.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC3=NSN=C32)CC1	REAL300003095913	0	44	0.0	-42.87	348.29	7.29	-35.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)CC1	REAL300003095914	0	52	0.0	-48.44	392.62	6.05	-42.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCS(N)(=O)=O)CC1	REAL300003095915	0	44	0.0	-66.39	345.54	1.80	-64.59
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)C1	REAL300003095916	1	54	0.0	-68.17	374.81	7.38	-60.79
CCC[N@H+]1CCCC(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)C1	REAL300003095916	1	54	0.0	-68.63	384.35	7.86	-60.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2C2CC2)CC1	REAL300003095917	0	47	0.0	-37.10	346.89	10.00	-27.10
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C2N=C1	REAL300003095918	0	51	0.0	-40.09	382.58	9.64	-30.45
CC1=CC(C)=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)SC2=N1	REAL300003095919	1	48	0.0	-39.99	370.71	8.51	-31.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CCCO3)CCCO2)CC1	REAL300003095920	0	52	0.0	-41.99	361.57	7.27	-34.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=NC=CS2)CC1	REAL300003095921	0	40	0.0	-50.87	323.74	6.81	-44.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(F)C=C2F)CC1	REAL300003095922	0	44	0.0	-44.63	344.86	9.57	-35.06
COC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003095923	0	47	0.0	-39.13	348.55	8.00	-31.13
COC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CS1	REAL300003095924	1	41	0.0	-39.95	322.97	6.45	-33.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)N(C)C)CC2)CC1	REAL300003095925	0	56	0.0	-49.03	411.71	5.12	-43.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CN=CC(Br)=C2)CC1	REAL300003095926	0	45	0.0	-53.26	364.75	8.65	-44.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(F)=CC(OC(F)F)=C2)CC1	REAL300003095927	0	44	0.0	-54.39	345.97	7.55	-46.84
CCCCCCCCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003095928	0	64	0.0	-38.02	469.41	14.00	-24.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C3CC2(C2=CC=CN=C2)CC3)CC1	REAL300003095929	0	53	0.0	-42.52	382.71	9.73	-32.79
COCC1(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCC1	REAL300003095930	0	53	0.0	-37.29	373.23	8.27	-29.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3)CCCCO2)CC1	REAL300003095931	0	54	0.0	-33.52	379.38	9.88	-23.64
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095932	1	50	0.0	-38.18	378.19	10.46	-27.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3CCOCC3)=NN2C)CC1	REAL300003095933	0	54	0.0	-38.91	390.32	7.06	-31.85
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1=CC=CC=C1F	REAL300003095934	0	50	0.0	-38.49	384.50	10.31	-28.18
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C(S(N)(=O)=O)S1	REAL300003095935	1	45	0.0	-45.36	361.95	2.61	-42.75
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1OC(F)F	REAL300003095936	0	47	0.0	-41.36	356.71	8.20	-33.16
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC2=CC=CC=C21	REAL300003095937	1	49	0.0	-34.91	370.09	10.68	-24.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H](C)CC2CCCCC2)CC1	REAL300003095938	0	55	0.0	-38.43	378.42	10.16	-28.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C3C(=C2)C=NN3C)CC1	REAL300003095939	0	49	0.0	-47.86	373.68	8.96	-38.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN3C=CC=C(Br)C3=N2)CC1	REAL300003095940	1	42	0.0	-42.58	344.33	8.95	-33.63
CC1=CC(COCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NO1	REAL300003095941	0	46	0.0	-46.16	354.74	7.56	-38.60
CC1=CC=CC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CN=C12	REAL300003095942	0	48	0.0	-39.43	358.37	9.00	-30.43
CCCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=N1	REAL300003095943	0	49	0.0	-39.76	365.43	7.98	-31.78
CCCN1N=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003095944	0	49	0.0	-39.63	365.57	7.88	-31.75
COC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1	REAL300003095945	0	51	0.0	-42.03	379.88	9.29	-32.74
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NN=C1C(F)(F)F	REAL300003095946	0	43	0.0	-40.06	341.83	6.05	-34.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC=C2N2C=CC=N2)CC1	REAL300003095947	0	46	0.0	-40.75	349.00	7.83	-32.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC=N2)CC1	REAL300003095948	0	43	0.0	-42.60	330.49	6.34	-36.26
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C(C)CC(=O)[O-])CC1	REAL300003095949	0	54	0.0	-62.88	377.65	7.12	-55.76
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C(C)CC(=O)[O-])CC1	REAL300003095949	1	54	0.0	-62.90	378.67	7.59	-55.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2CCC(CO)CC2)CC1	REAL300003095950	0	52	0.0	-42.86	371.37	3.66	-39.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)CC2=CC=C(O)C=C2)CC1	REAL300003095951	0	53	0.0	-39.16	377.84	7.20	-31.96
CC1=CC=CC=C1C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003095952	0	56	0.0	-39.54	404.98	12.40	-27.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2CCCO2)CC1	REAL300003095953	0	50	0.0	-42.95	341.76	7.44	-35.51
CC1=CC(Cl)=CC(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095954	0	46	0.0	-38.88	359.25	9.69	-29.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3(C2)CC2(CCC2)C3)CC1	REAL300003095955	0	54	0.0	-38.18	387.45	10.92	-27.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3CC3)=NC3=CC=NN32)CC1	REAL300003095956	0	49	0.0	-40.66	378.52	9.22	-31.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3SC=CC3=NC=C2)CC1	REAL300003095957	0	42	0.0	-41.95	328.58	7.40	-34.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC3=C2COC3)CC1	REAL300003095958	1	42	0.0	-41.05	318.87	5.52	-35.53
C=CCC1=CC=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095959	0	47	0.0	-36.15	349.57	9.87	-26.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CCC(CC2)C3(C)C)CC1	REAL300003095960	0	53	0.0	-36.97	351.93	9.22	-27.75
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC([N+](=O)[O-])=C1N	REAL300003095961	0	48	0.0	-59.29	370.39	6.09	-53.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C(C)(F)F)CCOCC2)CC1	REAL300003095962	0	50	0.0	-35.68	343.17	6.44	-29.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CCCO3)CCC2)CC1	REAL300003095963	0	51	0.0	-41.51	346.00	7.53	-33.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CCCCO3)CCCO2)CC1	REAL300003095964	0	55	0.0	-39.77	373.83	7.28	-32.49
CC1=CC=CC(C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2CCCCC2)=C1	REAL300003095965	0	62	0.0	-38.90	441.81	13.12	-25.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C2=CC=CC(F)=C2)CC1	REAL300003095966	0	50	0.0	-48.65	388.66	9.27	-39.38
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CSC=C2)=NO1	REAL300003095967	0	46	0.0	-38.43	370.91	8.92	-29.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(Cl)C3=CC=CN=C23)CC1	REAL300003095968	0	48	0.0	-45.57	378.61	9.90	-35.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3CCC3)N=C2)CC1	REAL300003095969	0	49	0.0	-38.89	358.38	8.66	-30.23
CC1=CN2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)SC2=N1	REAL300003095970	1	43	0.0	-42.06	337.15	8.31	-33.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2=CC=CC(Cl)=C2)CC1	REAL300003095971	0	44	0.0	-43.07	341.82	7.20	-35.87
CCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300003095972	0	49	0.0	-44.39	377.08	10.58	-33.81
CC1=CC=C2SC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2=C1	REAL300003095973	1	48	0.0	-54.49	371.14	10.47	-44.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(C3CCC3)C=C2)CC1	REAL300003095974	0	53	0.0	-41.92	389.84	11.57	-30.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(C3=CC=CC=C3)=N2)CC1	REAL300003095975	1	48	0.0	-37.33	365.91	9.97	-27.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)(F)F)OC3=CC=CC=C32)CC1	REAL300003095976	0	46	0.0	-51.85	373.88	9.63	-42.22
CC1=CC(C2CC2)=NC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095977	0	49	0.0	-37.90	362.03	8.79	-29.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C3CC2(C2=CC=CC=N2)CC3)CC1	REAL300003095978	0	53	0.0	-39.78	380.35	10.72	-29.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=NC=C2)CC1	REAL300003095979	0	46	0.0	-54.26	349.60	8.56	-45.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN3C=C(Br)C=CC3=N2)CC1	REAL300003095980	1	42	0.0	-41.52	343.76	8.93	-32.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(COC3=CC=CC=C3)=N2)CC1	REAL300003095981	1	50	0.0	-38.43	395.09	9.09	-29.34
CC1=C(C)C2=C(C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N2)O1	REAL300003095982	0	47	0.0	-40.60	351.60	7.91	-32.69
CC1=C(Cl)C=C2NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=C1	REAL300003095983	0	47	0.0	-38.48	365.17	9.51	-28.97
COC1=CC=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N(C)C2=C1	REAL300003095984	0	51	0.0	-39.85	376.99	8.77	-31.08
COCC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(=O)N1	REAL300003095985	0	46	0.0	-43.11	351.07	4.00	-39.11
CC1=CC=C(C(C)CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003095986	0	52	0.0	-39.37	380.32	10.90	-28.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C)C(C(F)(F)F)=C2)CC1	REAL300003095987	1	43	0.0	-36.62	337.46	7.13	-29.49
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C(C)O1	REAL300003095988	0	46	0.0	-36.91	341.94	8.40	-28.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3CC3(F)F)N=C2)CC1	REAL300003095989	0	44	0.0	-39.86	341.24	7.27	-32.59
CC1=CC=C(C)C(C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)C)=C1	REAL300003095990	0	58	0.0	-39.74	412.09	11.54	-28.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C(=CC=C2)N=NN3C)CC1	REAL300003095991	0	45	0.0	-47.40	338.03	6.26	-41.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3CCOC3)S2)CC1	REAL300003095992	1	47	0.0	-39.23	361.40	5.96	-33.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=NN(C)C=C2)CC1	REAL300003095993	0	47	0.0	-46.20	356.49	8.03	-38.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COCCC2=CC=C(Cl)S2)CC1	REAL300003095994	0	47	0.0	-55.51	390.42	9.92	-45.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3CC3)OC=N2)CC1	REAL300003095995	1	43	0.0	-37.63	325.27	6.18	-31.45
CCC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)O1	REAL300003095996	0	46	0.0	-37.06	343.40	8.41	-28.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=C(C(F)(F)F)C3=C2CCC3)CC1	REAL300003095997	0	50	0.0	-50.39	392.62	9.16	-41.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(C3=NN(C)C=C3)=C2)CC1	REAL300003095998	1	46	0.0	-39.95	359.91	7.32	-32.63
CCC(F)(F)C(C)(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003095999	0	48	0.0	-57.42	339.43	7.95	-49.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COCCC2=CC=CS2)CC1	REAL300003096000	0	47	0.0	-55.25	373.38	9.31	-45.94
CC1=CC(Br)=CC(C)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096001	0	49	0.0	-43.87	379.46	10.61	-33.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3C=CC=C(Br)C3=N2)CC1	REAL300003096002	0	43	0.0	-38.97	348.57	9.89	-29.08
COC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CCCOC1	REAL300003096003	0	51	0.0	-43.16	360.35	6.61	-36.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2[C@H]3C[C@]2(C2=CC=CC=C2)CC3)CC1	REAL300003096004	0	54	0.0	-41.50	389.38	11.70	-29.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C(=C2)C=CN3C)CC1	REAL300003096005	0	47	0.0	-55.00	354.00	9.66	-45.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(F)C=C3OC=CC3=C2)CC1	REAL300003096006	1	43	0.0	-40.76	334.16	8.37	-32.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=C(F)C=C3)=CS2)CC1	REAL300003096007	1	47	0.0	-41.28	372.45	10.54	-30.74
CCC(C)(C)CCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096008	0	54	0.0	-51.04	379.63	9.78	-41.26
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003096009	0	50	0.0	-39.78	372.83	10.97	-28.81
CC1=C(C)C2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC=C2N=N1	REAL300003096010	0	50	0.0	-44.35	370.80	8.27	-36.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCNS2(=O)=O)CC1	REAL300003096011	1	45	0.0	-58.62	341.29	2.41	-56.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3OC(C)C(C)C3=C2)CC1	REAL300003096012	0	51	0.0	-37.35	370.95	9.04	-28.31
COC1=CC=C2C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CNC2=C1	REAL300003096013	0	51	0.0	-60.01	388.58	8.33	-51.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CN(CC3=CC=CC=C3)N=C2)CC1	REAL300003096014	0	53	0.0	-47.71	408.34	10.64	-37.07
CCCC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)O1	REAL300003096015	0	49	0.0	-36.56	362.46	9.24	-27.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C(=CC=N2)C=CN3C)CC1	REAL300003096016	0	46	0.0	-42.06	347.97	7.73	-34.33
CC(C)C1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CC=CC=C2)=NO1	REAL300003096017	0	55	0.0	-37.72	421.88	11.29	-26.43
CC1=CC=CC=C1C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CCCC1	REAL300003096018	0	59	0.0	-41.65	414.73	12.18	-29.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3CCC3)OC=N2)CC1	REAL300003096019	1	46	0.0	-36.74	341.54	6.76	-29.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3C[C@@H]2CO3)CC1	REAL300003096020	0	48	0.0	-39.88	331.46	6.95	-32.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(C(C)(C)C)=C2)CC1	REAL300003096021	0	51	0.0	-37.13	369.30	8.33	-28.80
CC1=C(OC(F)(F)F)C=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096022	0	47	0.0	-37.54	361.83	8.47	-29.07
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300003096023	0	49	0.0	-41.59	376.09	10.25	-31.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC23CCOCC3)CC1	REAL300003096024	0	54	0.0	-36.75	364.72	8.12	-28.63
COC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C(F)(F)F	REAL300003096025	0	46	0.0	-40.48	361.69	5.59	-34.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=NC=CC=C3N=C2)CC1	REAL300003096026	0	44	0.0	-41.58	333.28	6.28	-35.30
CC(C)C1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N(C)N=C1	REAL300003096027	0	49	0.0	-41.44	367.93	7.80	-33.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC3CC(=O)C3)N=N2)CC1	REAL300003096028	1	48	0.0	-44.42	369.74	6.89	-37.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC3=NC=CN23)CC1	REAL300003096029	0	40	0.0	-41.84	320.96	7.68	-34.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3(C)CC3(F)F)C=C2)CC1	REAL300003096030	0	50	0.0	-38.80	375.61	10.48	-28.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC3=CC=CN=C3C=C2)CC1	REAL300003096031	0	48	0.0	-47.37	365.12	9.35	-38.02
CSC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C(C)C	REAL300003096032	1	46	0.0	-40.65	338.53	8.00	-32.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3CCC3)NC2=O)CC1	REAL300003096033	0	49	0.0	-40.88	365.18	6.90	-33.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3CCC3)=NN2C)CC1	REAL300003096034	0	50	0.0	-39.50	364.51	8.24	-31.26
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(C)=N1	REAL300003096035	0	45	0.0	-39.14	335.41	7.33	-31.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CN=C3C(C)CCCN23)CC1	REAL300003096036	0	53	0.0	-46.17	387.36	9.49	-36.68
CC1=NC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=CN2C(C)=C1	REAL300003096037	0	49	0.0	-45.62	366.78	9.78	-35.84
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300003096038	0	46	0.0	-55.04	346.35	9.37	-45.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3=NC=NN32)CC1	REAL300003096039	0	46	0.0	-40.96	331.48	8.68	-32.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2(O)CCCOC2)CC1	REAL300003096040	0	48	0.0	-42.11	340.17	5.15	-36.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)OCC(F)(F)F)CC1	REAL300003096041	0	46	0.0	-50.25	348.61	7.00	-43.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2C(F)(F)F)CC1	REAL300003096042	0	46	0.0	-42.35	341.43	8.58	-33.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=C(Cl)C=C3OC2)CC1	REAL300003096043	0	46	0.0	-38.97	366.89	9.12	-29.85
CCOC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C1	REAL300003096044	0	49	0.0	-45.46	368.88	7.57	-37.89
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C2N=C1	REAL300003096045	0	48	0.0	-41.75	363.22	8.90	-32.85
COCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCO1	REAL300003096046	0	48	0.0	-34.98	340.30	6.13	-28.85
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300003096047	0	48	0.0	-44.89	364.08	9.08	-35.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CCC(CC2)C3(C)C)CC1	REAL300003096048	0	53	0.0	-36.97	351.93	9.22	-27.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2=CC=C(C3CC3)C=C2)CC1	REAL300003096049	0	51	0.0	-52.30	378.92	8.77	-43.53
COC1=CC(F)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(F)=C1	REAL300003096050	1	44	0.0	-38.71	345.49	7.51	-31.20
CC1=CC=CC=C1C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CCCCC1	REAL300003096051	0	62	0.0	-49.92	433.96	12.79	-37.13
CC(CC(=O)[O-])N1CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300003096052	1	59	0.0	-72.83	424.26	10.13	-62.70
CC(CC(=O)[O-])N1CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300003096052	1	59	0.0	-74.16	425.05	9.68	-64.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=NN(C)C=C2)CC1	REAL300003096053	0	49	0.0	-36.07	351.73	7.45	-28.62
CC1=CN(C(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C1	REAL300003096054	0	46	0.0	-41.70	341.62	7.25	-34.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CSC(C3=CC=CC=C3)=N2)CC1	REAL300003096055	0	48	0.0	-42.87	374.18	8.11	-34.76
CCC1=NN(C)C(CC)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096056	0	52	0.0	-54.12	394.32	8.47	-45.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(N3C=CN=N3)CC2)CC1	REAL300003096057	0	43	0.0	-42.31	326.87	5.95	-36.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CCC(CC2)CC3)CC1	REAL300003096058	0	50	0.0	-39.36	336.02	8.76	-30.60
COC1=CC=CC=C1C1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NO1	REAL300003096059	0	50	0.0	-42.25	378.47	9.14	-33.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=NC=NN3C=C2)CC1	REAL300003096060	0	42	0.0	-45.41	326.11	8.55	-36.86
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(CC2=CC=CC=C2)=NO1	REAL300003096061	1	52	0.0	-43.22	403.65	10.84	-32.38
COC1=CC(C)=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=C1	REAL300003096062	0	51	0.0	-38.40	380.62	8.31	-30.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=C(Cl)C(F)=C3N2)CC1	REAL300003096063	0	44	0.0	-38.66	352.88	8.94	-29.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=NN(C)C3=NC=N2)CC1	REAL300003096064	0	44	0.0	-38.48	335.55	7.71	-30.77
CC1=C(Cl)C2=NC=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2C=C1	REAL300003096065	0	48	0.0	-40.70	371.99	9.47	-31.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCOC3(CCOCC3)C2)CC1	REAL300003096066	0	55	0.0	-41.22	381.57	6.75	-34.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(SC=C3)S2)CC1	REAL300003096067	1	40	0.0	-37.90	326.79	8.40	-29.50
CC1=CC=C(Cl)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096068	0	43	0.0	-37.81	336.67	9.16	-28.65
COC1=NN2C(=NN=C2CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003096069	0	51	0.0	-57.89	398.05	6.59	-51.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=C(Cl)C=C3)=NN2C)CC1	REAL300003096070	0	50	0.0	-39.64	392.53	9.81	-29.83
CCC(CCOC)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096071	0	49	0.0	-42.02	354.85	6.86	-35.16
COC1=CC(C)=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)OC2=C1	REAL300003096072	1	50	0.0	-37.18	377.95	8.64	-28.54
CCC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)CC1=CC=CC=C1	REAL300003096073	0	55	0.0	-51.31	400.57	11.61	-39.70
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=CS1	REAL300003096074	1	42	0.0	-36.20	321.37	7.35	-28.85
CC(C)=CCC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1O	REAL300003096075	0	54	0.0	-38.67	401.27	8.64	-30.03
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C2N1C	REAL300003096076	0	50	0.0	-43.27	376.70	10.30	-32.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3SC=CN23)CC1	REAL300003096077	0	40	0.0	-41.76	314.13	7.45	-34.31
CC1=NC=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003096078	0	45	0.0	-40.49	352.37	7.71	-32.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2N2C=CC(C3CC3)=N2)CC1	REAL300003096079	0	54	0.0	-39.47	406.51	11.68	-27.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CC3=CC=CC=C3C2)CC1	REAL300003096080	0	50	0.0	-41.04	357.23	10.09	-30.95
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(F)C(Cl)=C1	REAL300003096081	0	46	0.0	-43.84	359.43	9.84	-34.00
CC1=CC=CC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=CC=C12	REAL300003096082	0	48	0.0	-39.95	361.82	8.91	-31.04
CCCN1C=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003096083	0	46	0.0	-37.51	344.85	7.97	-29.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(F)C(OC(F)(F)F)=C2)CC1	REAL300003096084	0	44	0.0	-40.05	349.77	7.77	-32.28
CCC(C)N1N=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096085	0	49	0.0	-39.19	355.39	7.90	-31.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC3=CC=C(F)C=C32)CC1	REAL300003096086	0	45	0.0	-39.81	344.38	8.43	-31.38
COC1=C(Br)C=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096087	0	44	0.0	-40.79	350.14	8.95	-31.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H](C)CC(F)(F)F)CC1	REAL300003096088	0	42	0.0	-38.77	314.75	7.33	-31.44
CC1=C(O)C=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003096089	0	47	0.0	-38.84	345.25	6.36	-32.48
CCC(=O)N1CSC[C@H]1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096090	0	48	0.0	-41.56	363.15	7.09	-34.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1	REAL300003096091	0	44	0.0	-54.42	327.96	8.50	-45.92
CC(C)OC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1Cl	REAL300003096092	0	50	0.0	-39.46	383.63	9.37	-30.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C=C(C4=CC=CC=C4)NC3=C2)CC1	REAL300003096093	0	54	0.0	-39.12	406.45	11.43	-27.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCCN2CC2=CC=CC(F)=C2)CC1	REAL300003096094	0	58	0.0	-55.00	424.88	9.80	-45.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CCCC3)O2)CC1	REAL300003096095	1	47	0.0	-36.63	344.02	8.88	-27.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CNN=C3)C=C2)CC1	REAL300003096096	0	47	0.0	-42.50	354.22	7.86	-34.64
CC1=CC(F)=CC=C1C(O)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096097	0	47	0.0	-41.24	344.98	6.70	-34.54
COCC1=NOC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096098	1	43	0.0	-37.85	330.39	5.28	-32.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C#N)CC23CCOCC3)CC1	REAL300003096099	0	49	0.0	-45.71	361.91	7.21	-38.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C2=CC=CN=C2)CC1	REAL300003096100	0	50	0.0	-57.13	370.77	7.16	-49.97
COC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300003096101	0	49	0.0	-44.99	373.52	7.96	-37.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C#N)CC23CCC3)CC1	REAL300003096102	0	45	0.0	-42.79	339.93	8.58	-34.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C(F)(F)F)CC3(CCC3)C2)CC1	REAL300003096103	0	50	0.0	-40.10	363.52	9.31	-30.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(F)(F)C2=CC=CN=C2)CC1	REAL300003096104	1	42	0.0	-38.25	326.28	7.13	-31.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3(C2)CCOC3)CC1	REAL300003096105	0	48	0.0	-40.49	345.57	7.06	-33.43
COCC1(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCOCC1	REAL300003096106	0	54	0.0	-38.44	375.14	6.29	-32.15
CCC(O)(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003096107	0	50	0.0	-52.02	353.73	7.21	-44.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3CCCC3=N2)CC1	REAL300003096108	0	46	0.0	-36.00	339.21	8.86	-27.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3=CC=CC=N3)C=C2)CC1	REAL300003096109	0	50	0.0	-40.26	385.24	8.29	-31.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC3=C2CCCC3)CC1	REAL300003096110	0	47	0.0	-40.27	342.13	8.70	-31.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C(C)(C)C)=NO2)CC1	REAL300003096111	1	48	0.0	-37.18	358.25	8.05	-29.13
CCC1(CC)CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C1	REAL300003096112	0	52	0.0	-38.37	365.15	9.51	-28.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=C2Cl)OCO3)CC1	REAL300003096113	0	43	0.0	-38.69	341.47	7.13	-31.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC3=C(C(F)(F)F)C=CC=C23)CC1	REAL300003096114	0	48	0.0	-38.76	372.14	9.17	-29.59
CC(C)C1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C2CCCCN21	REAL300003096115	0	56	0.0	-42.21	400.81	9.65	-32.56
CC1=NC2=NC=NN2C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096116	0	44	0.0	-45.10	342.99	9.55	-35.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1	REAL300003096117	0	50	0.0	-40.95	348.73	9.33	-31.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=N2)CC1	REAL300003096118	0	46	0.0	-44.77	346.80	8.46	-36.31
CC1=CC(C2CCC2)=NC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096119	0	52	0.0	-37.99	377.83	9.26	-28.73
CC(=O)N1CSC[C@H]1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096120	0	45	0.0	-41.11	341.73	6.34	-34.77
COC1=CC=CC2=C1CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)CO2	REAL300003096121	0	52	0.0	-40.91	378.14	7.89	-33.02
CC(C)[C@@H]1C[C@H](CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C21	REAL300003096122	0	59	0.0	-38.51	419.36	12.38	-26.13
CC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=CC=C1F	REAL300003096123	0	47	0.0	-38.84	356.49	9.05	-29.79
COC1=CC=NC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096124	1	43	0.0	-40.01	323.71	5.90	-34.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN3CCNC(=O)C3=C2)CC1	REAL300003096125	1	45	0.0	-43.96	340.50	3.91	-40.05
CC1=CC2=NC=CN=C2C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096126	0	47	0.0	-40.62	354.15	6.99	-33.63
CC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=CC=C1Cl	REAL300003096127	0	47	0.0	-37.98	365.19	9.45	-28.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3=CC=C(F)C=C3)C(=O)CC2)CC1	REAL300003096128	0	51	0.0	-41.73	392.55	9.16	-32.57
CC1=CC=C(N2N=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCC2=O)C=C1	REAL300003096129	0	54	0.0	-41.13	407.55	9.77	-31.36
CC1=C(C)OC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003096130	0	48	0.0	-42.95	362.61	5.87	-37.08
COCCOCCN1C=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003096131	0	54	0.0	-38.62	412.50	6.50	-32.12
COCCOCCN1N=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096132	0	54	0.0	-41.04	406.14	5.88	-35.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CCC3=CC=CC=C3)C=C2)CC1	REAL300003096133	0	56	0.0	-37.89	421.88	13.17	-24.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3CCCC3=NNC2=O)CC1	REAL300003096134	0	46	0.0	-42.85	348.04	5.47	-37.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CSC=C3)N=C2)CC1	REAL300003096135	0	46	0.0	-40.99	361.47	8.73	-32.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H](C3CC3)O2)CC1	REAL300003096136	0	54	0.0	-40.60	389.06	10.35	-30.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(CC2CCCCC2)C2=CC=CC=C2)CC1	REAL300003096137	0	62	0.0	-49.46	439.41	12.98	-36.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)C(C)C2=CC=CC=C2Cl)CC1	REAL300003096138	0	52	0.0	-53.31	393.12	10.95	-42.36
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CC3CCC3)C=C2)CC1	REAL300003096139	0	53	0.0	-36.09	388.67	11.44	-24.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC3=CC=CN=C3C=C2)CC1	REAL300003096140	0	49	0.0	-56.36	377.26	9.84	-46.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)CC1	REAL300003096141	0	57	0.0	-40.87	399.16	7.73	-33.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(C)(C)OC(C)(C)C2)CC1	REAL300003096142	0	56	0.0	-39.71	388.42	8.51	-31.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23OC4C5COCC4C2C53)CC1	REAL300003096143	0	48	0.0	-39.15	344.42	6.32	-32.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CCCO3)CCOCC2)CC1	REAL300003096144	0	55	0.0	-53.66	374.04	6.20	-47.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C2=CC=CC=C2)CC1	REAL300003096145	0	57	0.0	-50.30	391.83	11.59	-38.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC(O)=CC(Br)=C2)CC1	REAL300003096146	0	44	0.0	-45.16	356.34	6.74	-38.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCCC2=CC=CC(O)=C2)CC1	REAL300003096147	0	53	0.0	-53.96	402.60	8.54	-45.42
CC1=NC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)S1	REAL300003096148	0	42	0.0	-58.41	333.95	6.96	-51.45
CCC1=NC=C(Cl)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003096149	1	44	0.0	-36.91	345.00	7.87	-29.04
CC1=CC2=C(C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N2)S1	REAL300003096150	0	44	0.0	-37.74	342.52	8.27	-29.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC(C)(C2)OC3(C)C)CC1	REAL300003096151	0	51	0.0	-40.86	353.05	7.00	-33.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)N2C=NN=N2)CC1	REAL300003096152	0	44	0.0	-55.03	318.68	5.95	-49.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CN=CN=C2)CC1	REAL300003096153	0	47	0.0	-52.04	337.13	7.42	-44.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CCCO3)CCCC2)CC1	REAL300003096154	0	54	0.0	-46.57	368.21	8.68	-37.89
COCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC=CC1	REAL300003096155	0	48	0.0	-42.05	342.60	6.90	-35.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC3=C2CSC3)CC1	REAL300003096156	1	42	0.0	-40.98	325.30	7.69	-33.29
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096157	0	61	0.0	-50.68	439.65	12.43	-38.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C)C(C3=CC=C(Cl)C=C3)=C2)CC1	REAL300003096158	1	50	0.0	-38.30	392.06	10.11	-28.19
CC1=CC=C2OC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=C1	REAL300003096159	0	46	0.0	-40.90	351.36	9.17	-31.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3SCCCC3=C2)CC1	REAL300003096160	0	48	0.0	-53.59	362.30	10.10	-43.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3SCCCCC3=C2)CC1	REAL300003096161	0	51	0.0	-52.75	380.39	10.69	-42.06
CC(C)=CCC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1F	REAL300003096162	0	53	0.0	-37.29	396.42	11.31	-25.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=C(Cl)S3)N2)CC1	REAL300003096163	0	41	0.0	-39.53	336.93	8.09	-31.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC(C3=CC=CN=C3)=N2)CC1	REAL300003096164	1	47	0.0	-38.51	360.35	8.17	-30.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC3=CC=CC=C3N=C2)CC1	REAL300003096165	0	48	0.0	-47.19	365.23	9.33	-37.86
CC1=CC=C2C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=COC2=C1	REAL300003096166	0	46	0.0	-39.91	348.31	9.09	-30.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=NC(C(C)(C)C)=N2)CC1	REAL300003096167	0	50	0.0	-48.23	378.08	6.57	-41.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=CS3)N2CC2CC2)CC1	REAL300003096168	0	51	0.0	-37.88	391.21	10.99	-26.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=CC(Cl)=C3)C=C2)CC1	REAL300003096169	0	50	0.0	-38.84	388.59	11.80	-27.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C3CC3(F)F)C=C2)CC1	REAL300003096170	0	44	0.0	-39.74	344.56	8.09	-31.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C3CC2(C2=CC=C(F)C=C2)CC3)CC1	REAL300003096171	0	54	0.0	-53.41	397.08	11.62	-41.79
CCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1Br	REAL300003096172	0	46	0.0	-36.42	356.43	9.75	-26.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(=O)NC(C3=CC=CC=C3)=C2)CC1	REAL300003096173	0	50	0.0	-56.33	386.78	8.62	-47.71
COCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC=C1	REAL300003096174	1	44	0.0	-37.82	333.06	6.14	-31.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC3=CC(F)=CC(F)=C23)CC1	REAL300003096175	0	43	0.0	-47.89	336.00	8.54	-39.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CCCF)N=N2)CC1	REAL300003096176	1	45	0.0	-40.60	347.17	6.65	-33.95
CCN1C=C(OC2=CN=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=N2)C=N1	REAL300003096177	1	52	0.0	-40.56	398.85	6.74	-33.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(S2)N(C)N=C3)CC1	REAL300003096178	1	43	0.0	-39.73	339.26	7.04	-32.69
COC1=CC=CC=C1N1C=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096179	0	51	0.0	-37.92	389.24	10.62	-27.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3CCOCC3)N=C2)CC1	REAL300003096180	1	52	0.0	-39.78	382.42	6.51	-33.27
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(Br)=C1C	REAL300003096181	0	46	0.0	-36.82	353.39	9.59	-27.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3C=CCC(C3)C2)CC1	REAL300003096182	0	51	0.0	-36.68	350.11	9.59	-27.09
COC1=CN=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096183	0	43	0.0	-38.74	322.36	5.31	-33.43
CC(C)CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C1=CC=CC=C1	REAL300003096184	0	59	0.0	-36.54	433.14	11.95	-24.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCC(C)CC3)C=C2)CC1	REAL300003096185	0	58	0.0	-37.25	410.56	9.75	-27.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C2=NC=CN2C)CC1	REAL300003096186	0	51	0.0	-44.52	372.32	7.04	-37.48
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)C1	REAL300003096187	1	54	0.0	-62.62	369.02	7.91	-54.71
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)C1	REAL300003096187	1	54	0.0	-65.18	379.14	7.70	-57.48
CC(CC(=O)[O-])N1CCN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)CC1	REAL300003096188	1	48	0.0	-68.99	360.43	6.55	-62.44
CC(CC(=O)[O-])N1CCN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)CC1	REAL300003096188	1	48	0.0	-69.74	354.45	6.23	-63.51
COC1=CC=C(C(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1F	REAL300003096189	0	50	0.0	-46.22	372.56	8.66	-37.56
COC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CC(F)(F)C1	REAL300003096190	0	47	0.0	-43.19	352.49	8.23	-34.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2CCCOC2)CC1	REAL300003096191	0	48	0.0	-42.00	351.57	6.65	-35.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COCC2=NC(C3CC3)=NO2)CC1	REAL300003096192	0	49	0.0	-51.59	381.52	6.50	-45.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C3C(=C2)CCN3C)CC1	REAL300003096193	0	52	0.0	-43.85	384.86	8.82	-35.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(C)(C(C)(C)C)C2)CC1	REAL300003096194	0	55	0.0	-39.44	377.51	9.67	-29.77
CC1=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C	REAL300003096195	0	49	0.0	-53.55	370.89	7.98	-45.57
CCS(=O)(=O)NC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003096196	0	51	0.0	-44.94	396.51	5.41	-39.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300003096197	0	47	0.0	-55.71	367.01	7.68	-48.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2=CC=CC=C2C(F)(F)F)CC1	REAL300003096198	0	47	0.0	-39.44	361.13	6.43	-33.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300003096199	0	44	0.0	-44.34	357.24	7.66	-36.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2C(F)F)CC1	REAL300003096200	0	43	0.0	-40.22	328.73	8.83	-31.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CN=C3)=NO2)CC1	REAL300003096201	1	45	0.0	-40.19	350.68	7.38	-32.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2CCCCCC2)CC1	REAL300003096202	0	53	0.0	-37.57	359.22	7.52	-30.05
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1CC	REAL300003096203	0	49	0.0	-38.08	363.42	7.78	-30.30
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2=CC(F)=CC(F)=C2)CC1	REAL300003096204	0	44	0.0	-43.61	338.92	6.78	-36.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C2=CC=CC=C2)C(F)F)CC1	REAL300003096205	0	49	0.0	-53.05	370.90	10.40	-42.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3CCOCC3=C2)CC1	REAL300003096206	0	48	0.0	-38.59	351.20	7.96	-30.63
CCOCC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003096207	1	46	0.0	-36.62	360.97	6.53	-30.09
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1C1CCOC1	REAL300003096208	1	50	0.0	-40.07	370.02	5.66	-34.41
CC1=NN=C(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N1C	REAL300003096209	0	48	0.0	-59.82	363.97	8.65	-51.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=NN=NN3C2)CC1	REAL300003096210	0	45	0.0	-47.12	333.09	5.90	-41.22
CC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=CC(Cl)=C1	REAL300003096211	0	47	0.0	-37.40	367.97	9.53	-27.87
CC1=C(C)NC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003096212	0	49	0.0	-53.69	369.62	7.63	-46.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC(Cl)=CC=C3F)CCC2)CC1	REAL300003096213	0	50	0.0	-41.38	380.08	10.60	-30.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC(F)=CC=C3F)CCC2)CC1	REAL300003096214	0	50	0.0	-41.73	369.75	10.16	-31.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=NN=C2C2CC2)CC1	REAL300003096215	0	45	0.0	-55.23	346.67	6.85	-48.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2(N3C=NN=N3)CCSCC2)CC1	REAL300003096216	0	52	0.0	-51.36	378.00	8.47	-42.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(N)=O)C(Cl)=C2)CC1	REAL300003096217	0	44	0.0	-43.81	344.53	5.18	-38.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=NC3=CC=CC=C3N=C2)CC1	REAL300003096218	0	48	0.0	-54.47	374.91	8.16	-46.31
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096219	0	53	0.0	-47.72	405.25	8.43	-39.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNN=C2C2=CC=NN2C)CC1	REAL300003096220	0	47	0.0	-52.55	357.19	5.31	-47.24
CC1=CC=C(C(=O)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003096221	0	45	0.0	-51.59	350.36	8.63	-42.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)C2=CC=C(Cl)C=C2)CC1	REAL300003096222	1	42	0.0	-52.04	345.68	8.47	-43.57
CCC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C2C(=N1)ON=C2C(C)C	REAL300003096223	0	56	0.0	-44.39	419.87	7.73	-36.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=NC=N2)CC1	REAL300003096224	0	42	0.0	-52.72	328.48	7.75	-44.97
CC(C)C1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CO1	REAL300003096225	1	45	0.0	-36.34	339.85	5.87	-30.47
CCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CCOCC1	REAL300003096226	0	53	0.0	-51.78	369.32	7.67	-44.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CC(OC(C)(C)C)C23CCC3)CC1	REAL300003096227	0	63	0.0	-38.46	447.37	11.01	-27.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC3=C(F)C=C(F)C=C23)CC1	REAL300003096228	0	43	0.0	-41.60	341.01	8.57	-33.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC(CC(F)(F)F)=N2)CC1	REAL300003096229	1	42	0.0	-38.68	345.71	7.64	-31.04
CCC1=CC=CC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=C21	REAL300003096230	0	51	0.0	-36.50	379.18	10.63	-25.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3(C(F)(F)F)CC3)C=C2)CC1	REAL300003096231	0	50	0.0	-41.58	384.23	10.77	-30.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CCS(=O)(=O)CC2)CC1	REAL300003096232	0	49	0.0	-48.14	346.20	4.62	-43.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2C(C)(F)F)CC1	REAL300003096233	0	46	0.0	-40.68	345.59	9.36	-31.32
C=CCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC=CC1	REAL300003096234	0	48	0.0	-40.95	340.64	8.94	-32.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CON=C2C2CCC2)CC1	REAL300003096235	1	46	0.0	-41.69	342.93	8.19	-33.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=NC(C4CC4)=NS3)C=N2)CC1	REAL300003096236	0	49	0.0	-37.92	393.49	11.34	-26.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(F)CC2CCCC2)CC1	REAL300003096237	0	49	0.0	-39.18	353.30	9.32	-29.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(C)(C)C2C(F)(F)F)CC1	REAL300003096238	0	49	0.0	-34.90	339.61	8.89	-26.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=C(F)C=C3)CCCC2)CC1	REAL300003096239	0	56	0.0	-59.12	396.35	11.17	-47.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CCCC2CC(=O)CC3)CC1	REAL300003096240	0	52	0.0	-44.54	352.14	8.48	-36.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CCCO3)CC2)CC1	REAL300003096241	0	48	0.0	-47.93	347.56	7.47	-40.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=C(F)C=C3)CCCCO2)CC1	REAL300003096242	0	57	0.0	-38.51	391.14	10.45	-28.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3(C2)CCCO3)CC1	REAL300003096243	0	48	0.0	-39.55	346.40	7.28	-32.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C[C@H](C)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300003096244	0	52	0.0	-40.07	397.55	11.24	-28.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C[C@H](C)C2=CC=C3OCOC3=C2)CC1	REAL300003096245	0	52	0.0	-42.32	384.85	8.88	-33.44
COCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CCC1	REAL300003096246	0	48	0.0	-43.77	344.38	6.91	-36.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C(F)(F)F)CCCCO2)CC1	REAL300003096247	0	47	0.0	-33.47	337.76	7.35	-26.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C2=CC=C(F)C=C2)CC1	REAL300003096248	0	51	0.0	-40.56	380.47	9.02	-31.54
CC1=NN(C(C)C)C(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096249	0	52	0.0	-53.94	392.92	8.54	-45.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CON=C2C2CCCO2)CC1	REAL300003096250	1	47	0.0	-42.74	352.44	6.36	-36.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCCC3(CCC3)O2)CC1	REAL300003096251	0	54	0.0	-40.70	383.91	9.79	-30.91
COC1C[C@@H]2CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C[C@H]12	REAL300003096252	0	51	0.0	-39.11	357.24	8.24	-30.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2COCCN2CC(F)(F)F)CC1	REAL300003096253	0	52	0.0	-42.73	382.53	5.54	-37.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2CCC3=CC=CC=C32)CC1	REAL300003096254	0	47	0.0	-40.96	346.61	9.95	-31.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC23CCC(CC2)C3(C)C)CC1	REAL300003096255	0	56	0.0	-39.50	378.80	10.30	-29.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=C(C3CCOC3)C=N2)CC1	REAL300003096256	0	51	0.0	-48.82	381.25	6.97	-41.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CN=C3NC=C2)CC1	REAL300003096257	0	43	0.0	-53.22	323.20	7.26	-45.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CNC3=NC=C2)CC1	REAL300003096257	1	43	0.0	-41.46	327.45	7.33	-34.13
CC1=CC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=CC=C2O1	REAL300003096258	0	46	0.0	-40.26	346.24	9.04	-31.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3(CCC3)CC2)CC1	REAL300003096259	0	53	0.0	-39.45	366.44	9.92	-29.53
CCC1=CC2=C(OCC2)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096260	0	51	0.0	-40.01	379.84	9.30	-30.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CSC3=CC=C2)CC1	REAL300003096261	0	43	0.0	-39.83	331.44	9.20	-30.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CN3C=C(Cl)C=N3)C=C2)CC1	REAL300003096262	0	50	0.0	-41.49	398.42	10.07	-31.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C(F)(F)F)=CS2)CC1	REAL300003096263	1	40	0.0	-40.13	327.63	7.91	-32.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(OCC3CC3)=C2)CC1	REAL300003096264	0	51	0.0	-39.91	380.00	9.69	-30.22
CSC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(Cl)=C1	REAL300003096265	0	44	0.0	-39.06	355.52	9.46	-29.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C(C)(F)F)=C2)CC1	REAL300003096266	0	46	0.0	-41.20	350.17	9.40	-31.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C=CSC3=C2)CC1	REAL300003096267	0	43	0.0	-37.41	334.70	9.23	-28.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)N=C2C2=CC=NN2C)CC1	REAL300003096268	0	50	0.0	-53.08	380.01	6.61	-46.47
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=CO1	REAL300003096269	1	46	0.0	-38.51	346.65	8.26	-30.25
CC1=NC=C2CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCC2=N1	REAL300003096270	0	51	0.0	-42.40	372.78	8.37	-34.03
CC1=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C(F)(F)F)=CO1	REAL300003096271	0	46	0.0	-41.29	363.90	8.72	-32.57
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(C)=N1	REAL300003096272	0	46	0.0	-38.41	345.81	5.21	-33.20
CC1=CN(CC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2)N=C1	REAL300003096273	0	53	0.0	-41.35	403.23	10.24	-31.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CCCC2CCC3)CC1	REAL300003096274	0	50	0.0	-38.06	339.41	8.98	-29.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2OCCC[C@@H]2C2=CC=CC=C2)CC1	REAL300003096275	0	54	0.0	-34.61	375.36	10.51	-24.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2OCCC[C@H]2C2=CC=CC=C2)CC1	REAL300003096276	0	54	0.0	-39.23	381.67	10.06	-29.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CCCNS2(=O)=O)CC1	REAL300003096277	1	48	0.0	-51.51	343.74	2.56	-48.95
CCC1=NC=C2CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCC2=N1	REAL300003096278	0	54	0.0	-43.43	396.30	9.09	-34.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C(Br)S2)CC1	REAL300003096279	0	43	0.0	-39.88	357.38	9.61	-30.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2COCCO2)CC1	REAL300003096280	0	45	0.0	-43.15	328.98	5.92	-37.23
COCCC(C)(C)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096281	0	52	0.0	-38.42	365.13	7.43	-30.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C)(C)C(C)(F)F)CC1	REAL300003096282	0	48	0.0	-36.51	340.98	8.44	-28.07
CC1=CC2=C(C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N2CC2CC2)S1	REAL300003096283	0	54	0.0	-37.85	413.07	11.80	-26.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC=CBr)CC1	REAL300003096284	0	40	0.0	-52.00	322.95	8.08	-43.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C3CC2(C2=NN(C)C=C2)CC3)CC1	REAL300003096285	0	54	0.0	-55.33	395.36	9.41	-45.92
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C)C=N1	REAL300003096286	0	45	0.0	-38.99	334.15	7.43	-31.56
CC1=CC(F)=CC(C(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096287	0	49	0.0	-45.10	364.80	10.04	-35.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C2=CC=CC=C2F)C(F)F)CC1	REAL300003096288	0	49	0.0	-51.98	375.41	10.33	-41.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3=CC=NN32)CC1	REAL300003096289	0	47	0.0	-36.97	344.79	7.51	-29.46
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096290	1	46	0.0	-40.79	359.96	7.38	-33.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C3CC3(F)F)=C2)CC1	REAL300003096291	0	47	0.0	-42.24	356.95	10.06	-32.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3CCCC3=C2)CC1	REAL300003096292	0	46	0.0	-40.52	337.97	7.99	-32.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CC=CC=C2C(F)F)CC1	REAL300003096293	0	47	0.0	-61.30	368.68	9.92	-51.38
CCOC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)SC2=NC=C1	REAL300003096294	1	49	0.0	-39.89	380.30	7.60	-32.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2OCCC2(C)C)CC1	REAL300003096295	0	50	0.0	-42.11	354.33	7.83	-34.28
CC1=NC(C2CC2)=NC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096296	0	48	0.0	-38.35	360.34	8.16	-30.19
CCC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=N1	REAL300003096297	0	47	0.0	-38.24	351.73	7.08	-31.16
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096298	0	55	0.0	-40.07	403.96	7.23	-32.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3CC2C2C3C2(F)F)CC1	REAL300003096299	0	48	0.0	-53.18	344.15	9.22	-43.96
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C3CC2(C2=CN=CS2)CC3)CC1	REAL300003096300	0	50	0.0	-43.82	373.95	8.93	-34.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3(CC2)COCCO3)CC1	REAL300003096301	0	55	0.0	-43.74	383.95	7.40	-36.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2[C@H]3C[C@]2(C2=CC=CS2)CC3)CC1	REAL300003096302	0	51	0.0	-38.72	379.99	10.72	-28.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN3CCNS(=O)(=O)C3=C2)CC1	REAL300003096303	1	46	0.0	-48.36	357.51	1.69	-46.67
CC1=NN(C2=CC=CC=C2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003096304	0	50	0.0	-41.24	375.28	10.09	-31.15
CC1=NC=NC(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096305	0	44	0.0	-40.02	333.08	7.16	-32.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=C(F)C=CC=C3Cl)CCC2)CC1	REAL300003096306	0	50	0.0	-35.29	372.42	10.42	-24.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[C@@]2(C2=CC=NN2C)CC3)CC1	REAL300003096307	0	54	0.0	-45.51	387.77	9.08	-36.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC(C)(C2)OC32CCC2)CC1	REAL300003096308	0	52	0.0	-41.93	362.14	7.98	-33.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC(C)(C2)OC32CCOCC2)CC1	REAL300003096309	0	56	0.0	-41.61	383.65	6.68	-34.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)CC1	REAL300003096310	0	47	0.0	-42.60	342.14	9.12	-33.48
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NC(C)=N1	REAL300003096311	0	44	0.0	-36.01	331.80	7.36	-28.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NNC3=CC=C(F)C=C32)CC1	REAL300003096312	0	43	0.0	-41.42	331.82	7.23	-34.19
CC1=COC(C(C)C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096313	1	49	0.0	-40.23	370.36	9.00	-31.23
COC1=CC=C(C23CC(CC2)C3C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003096314	0	58	0.0	-54.08	420.32	10.99	-43.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CCOCC3)CCOCC2)CC1	REAL300003096315	0	58	0.0	-40.74	382.63	6.33	-34.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2C2CC2(F)F)CC1	REAL300003096316	0	47	0.0	-39.04	356.05	10.13	-28.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=NN2C2CC2)CC1	REAL300003096317	1	43	0.0	-40.35	322.91	5.90	-34.45
CCC1=NN(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1Cl	REAL300003096318	0	46	0.0	-42.28	365.76	7.64	-34.64
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC2=CC=CC(F)=C2)CC1	REAL300003096319	1	44	0.0	-58.49	352.11	9.60	-48.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=C(Br)O3)N2)CC1	REAL300003096320	0	41	0.0	-38.79	332.55	7.19	-31.60
CC1=NC(C2CC2)=NC(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096321	0	51	0.0	-53.60	388.62	8.78	-44.82
CCC1=NC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=N1	REAL300003096322	0	50	0.0	-40.16	376.37	7.73	-32.43
CC(C)C1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C(F)(F)F)=CO1	REAL300003096323	1	49	0.0	-42.96	389.31	9.39	-33.57
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C(F)(F)F)=CO1	REAL300003096324	1	46	0.0	-37.42	366.10	8.75	-28.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3CC3)=NNC2=O)CC1	REAL300003096325	0	46	0.0	-40.01	347.51	5.80	-34.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CCCCO3)CC2)CC1	REAL300003096326	0	51	0.0	-36.79	364.09	8.28	-28.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=C(F)C=C3)CCCO2)CC1	REAL300003096327	0	54	0.0	-38.28	382.88	9.67	-28.61
CC1=CC(C)=C2NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC2=C1	REAL300003096328	0	50	0.0	-37.28	373.08	9.70	-27.58
CC1=NC2=C(NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)S1	REAL300003096329	0	43	0.0	-40.59	337.24	6.32	-34.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NNC3=C2COC3(C)C)CC1	REAL300003096330	1	48	0.0	-39.08	357.04	5.57	-33.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3COC(C)(C)C3=NN2)CC1	REAL300003096330	1	48	0.0	-40.69	360.23	5.14	-35.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CN=CC=N2)CC1	REAL300003096331	0	42	0.0	-52.94	328.35	6.10	-46.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3CCOCC3)=NN2)CC1	REAL300003096332	0	51	0.0	-38.58	372.71	6.16	-32.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3CCCC3)N=C2)CC1	REAL300003096333	0	50	0.0	-52.13	367.28	8.31	-43.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC3=C2CC(F)(F)CC3)CC1	REAL300003096334	1	46	0.0	-37.54	347.97	8.59	-28.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCN2C=CC3=CC=CN=C32)CC1	REAL300003096335	0	49	0.0	-44.51	373.21	10.15	-34.36
CCCC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003096336	1	45	0.0	-35.16	348.21	8.03	-27.13
CC1=NN(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1Cl	REAL300003096337	0	43	0.0	-43.00	344.01	6.92	-36.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(C)(C)C)N2)CC1	REAL300003096338	0	50	0.0	-38.20	364.50	8.64	-29.56
COC1=CC=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=N1	REAL300003096339	0	47	0.0	-39.24	357.21	6.16	-33.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNC(C(C)(C)C)=N2)CC1	REAL300003096340	0	49	0.0	-35.98	361.41	7.93	-28.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCC3=CC=CC=C32)CC1	REAL300003096341	0	47	0.0	-43.41	346.31	9.92	-33.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3CCOC3=C2)CC1	REAL300003096342	0	45	0.0	-56.13	336.20	7.74	-48.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2C[C@@H]3COC[C@H]23)CC1	REAL300003096343	0	48	0.0	-41.32	341.86	7.21	-34.11
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096344	0	53	0.0	-42.20	399.66	11.65	-30.55
COC1=CC=C(C(C)=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003096345	0	51	0.0	-39.79	382.29	9.56	-30.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CSC2=CC=CC(Cl)=C2)CC1	REAL300003096346	1	44	0.0	-57.56	362.44	10.04	-47.52
COCC1=CN=C(OC)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096347	1	50	0.0	-42.74	378.06	5.35	-37.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=NC(C3CC3)=N2)CC1	REAL300003096348	0	45	0.0	-48.15	347.87	6.45	-41.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3OC=CC3=CC=C2Cl)CC1	REAL300003096349	0	43	0.0	-39.52	346.98	8.91	-30.61
CC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(C2=CC=C(F)C=C2)S1	REAL300003096350	0	49	0.0	-38.38	395.82	9.77	-28.61
COC1=CC2=C(OCC2)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096351	0	49	0.0	-41.74	363.00	7.16	-34.58
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC2=CC=C(F)C=C12	REAL300003096353	0	47	0.0	-40.34	362.89	8.62	-31.72
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096354	0	47	0.0	-54.43	367.39	10.02	-44.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H](C)C2=CC=C3OCOC3=C2)CC1	REAL300003096355	0	49	0.0	-39.56	364.58	7.95	-31.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2CCN(S(C)(=O)=O)CC2)CC1	REAL300003096356	0	55	0.0	-62.66	418.48	5.49	-57.17
CC1=CN(C2=CC=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2)N=C1	REAL300003096357	0	50	0.0	-45.97	377.79	9.74	-36.23
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096358	0	49	0.0	-44.68	372.24	10.20	-34.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=CC(F)=CC=C32)CC1	REAL300003096359	0	46	0.0	-39.55	351.01	10.28	-29.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3OC=CC3=C2)CC1	REAL300003096360	0	42	0.0	-41.05	319.84	5.10	-35.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CSC(Br)=C2)CC1	REAL300003096361	0	43	0.0	-51.94	360.24	9.49	-42.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NN2C2CC2(F)F)CC1	REAL300003096362	0	44	0.0	-38.82	341.18	7.61	-31.21
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C(CC2=CC=CC=C2)N1	REAL300003096363	0	57	0.0	-39.77	427.09	11.49	-28.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2C[C@@H](OC(C)(C)C)C2)CC1	REAL300003096364	0	53	0.0	-41.27	380.92	8.36	-32.91
CCC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1CCC1	REAL300003096365	0	52	0.0	-50.46	366.95	9.90	-40.56
CCOC1=CC=C2NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C(C)C2=C1	REAL300003096366	0	54	0.0	-40.74	407.88	8.76	-31.98
CCC1=CC=C2NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C(C)C2=C1	REAL300003096367	0	53	0.0	-38.81	399.34	9.99	-28.82
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC2=CC(C)=CC(C)=C21	REAL300003096368	0	53	0.0	-38.92	391.67	9.63	-29.29
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC2=CC=C(C(C)C)C=C21	REAL300003096369	0	56	0.0	-38.67	416.51	10.46	-28.21
COC1=CC=CC(Br)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096370	0	44	0.0	-37.74	352.91	7.97	-29.77
CC1=CC(CC2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2)=CC=C1F	REAL300003096371	0	53	0.0	-41.72	398.65	11.39	-30.33
CC1=CC(F)=CC=C1CC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003096372	0	53	0.0	-41.70	379.52	11.04	-30.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C2=CC=C(F)C=C2)CC1	REAL300003096373	0	53	0.0	-40.09	379.63	11.15	-28.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC4(C)CC(C)(CC(O)(C4)C2)C3)CC1	REAL300003096374	0	61	0.0	-37.32	406.55	7.24	-30.08
CC1=NC=CC=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096375	0	46	0.0	-43.39	345.67	8.20	-35.19
CC1=CN=CC=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096376	0	46	0.0	-42.78	345.82	8.22	-34.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=NC3=CC=CC=C23)CC1	REAL300003096377	0	49	0.0	-45.72	371.70	9.75	-35.97
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096378	0	47	0.0	-54.43	367.39	10.02	-44.41
CC(=CC1=CC=CS1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096379	0	44	0.0	-37.76	333.99	8.70	-29.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(S(N)(=O)=O)CC2)CC1	REAL300003096380	0	51	0.0	-51.97	379.99	3.27	-48.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CC=C3F)=NO2)CC1	REAL300003096381	1	46	0.0	-41.03	358.98	9.22	-31.81
COC1=CSC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1OC	REAL300003096382	1	45	0.0	-39.74	350.60	6.76	-32.98
CSC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300003096383	1	47	0.0	-38.60	379.47	10.46	-28.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3CCC(C3)C2)CC1	REAL300003096384	0	50	0.0	-38.03	342.22	9.19	-28.84
CC1=CC2=NC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2C=C1	REAL300003096385	0	48	0.0	-53.78	363.35	8.85	-44.93
COC1=C(F)C=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1F	REAL300003096386	0	44	0.0	-42.80	341.53	7.41	-35.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(C3=COC=C3)=C2)CC1	REAL300003096387	0	46	0.0	-40.09	351.68	7.74	-32.35
CC1=CC=C(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003096388	0	45	0.0	-36.78	339.20	7.54	-29.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2C[C@H](N3C=CN=N3)C2)CC1	REAL300003096389	0	46	0.0	-65.35	343.65	6.55	-58.80
CCCC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003096390	0	52	0.0	-53.39	391.57	11.24	-42.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CC=C3F)=NN2)CC1	REAL300003096391	0	47	0.0	-42.37	362.57	8.47	-33.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)C(C)C2=CC=C(F)C=C2)CC1	REAL300003096392	0	52	0.0	-53.42	385.08	10.55	-42.87
C=CC1(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCOCC1	REAL300003096393	0	51	0.0	-39.67	352.10	7.42	-32.25
CCCCC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003096394	1	48	0.0	-35.31	369.71	8.81	-26.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=NN(C)C=C3)C=N2)CC1	REAL300003096395	0	47	0.0	-43.34	364.03	10.09	-33.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CNC3=CN=C2)CC1	REAL300003096396	0	43	0.0	-41.25	327.17	6.16	-35.09
CC(=CC1=CC=C(F)C=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096397	0	47	0.0	-39.79	358.17	9.94	-29.85
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC2=CC=C(C(F)(F)F)C=C12	REAL300003096398	0	50	0.0	-40.61	395.45	9.55	-31.06
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC2=C(C)C=CC=C12	REAL300003096399	0	50	0.0	-39.07	377.95	9.20	-29.87
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C(C2=CC=CC=C2)N1	REAL300003096400	0	51	0.0	-38.46	380.12	9.97	-28.49
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C(C2=CC=CC=C2)N1	REAL300003096401	0	54	0.0	-38.16	403.53	10.75	-27.41
CCCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N1	REAL300003096402	0	47	0.0	-37.46	347.45	8.37	-29.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2CC(F)(F)F)CC1	REAL300003096403	0	46	0.0	-35.61	354.20	9.56	-26.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CCOC2CCOC3)CC1	REAL300003096404	0	49	0.0	-42.61	336.77	4.83	-37.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2CC2)C2CCCO2)CC1	REAL300003096405	0	51	0.0	-38.26	363.80	7.97	-30.29
CCC1=CN2C(=N1)C=CC=C2C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096406	0	49	0.0	-42.20	373.62	9.75	-32.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CC(C)(C)OC(C)(C)C2)CC1	REAL300003096407	0	59	0.0	-52.32	413.14	9.52	-42.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCN3C=NC=C3C2)CC1	REAL300003096408	0	50	0.0	-49.15	362.70	9.92	-39.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCCCN2C=NN=N2)CC1	REAL300003096409	0	50	0.0	-64.67	382.60	8.54	-56.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(CC(F)(F)F)C2=CC=CC=C2)CC1	REAL300003096410	0	49	0.0	-39.58	375.76	10.39	-29.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C)C3=CC=C(F)C=C32)CC1	REAL300003096411	0	46	0.0	-41.38	354.25	8.57	-32.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC3=C2CS(=O)(=O)C3)CC1	REAL300003096412	1	44	0.0	-47.81	346.75	4.03	-43.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3CCOC3)C=C2)CC1	REAL300003096413	0	51	0.0	-38.10	371.86	8.57	-29.53
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC3=C2CCCC3)CC1	REAL300003096414	0	49	0.0	-37.19	353.73	8.49	-28.70
CC1=CC=CN2N=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C12	REAL300003096415	0	46	0.0	-42.33	343.34	8.29	-34.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(C3=CC=CC=C3F)=C2)CC1	REAL300003096416	0	49	0.0	-40.76	378.24	9.68	-31.08
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC2=CC(C)=CC=C21	REAL300003096417	0	50	0.0	-38.85	377.02	9.16	-29.69
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300003096418	0	49	0.0	-44.68	384.57	9.22	-35.46
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC2=CC(Cl)=CC=C12	REAL300003096419	0	47	0.0	-39.02	372.36	9.01	-30.01
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC2=CC(F)=CC=C12	REAL300003096420	0	47	0.0	-39.47	362.07	8.57	-30.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=CN=NN32)CC1	REAL300003096421	0	42	0.0	-44.06	325.27	6.51	-37.55
CC1=C2N=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=CN2N=C1	REAL300003096422	1	45	0.0	-37.92	342.69	8.36	-29.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3SN=CC3=CC=C2)CC1	REAL300003096423	0	42	0.0	-45.73	328.48	8.06	-37.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3SC=CC3=C(F)C=C2)CC1	REAL300003096424	0	43	0.0	-40.50	339.73	9.29	-31.21
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300003096425	0	53	0.0	-39.21	394.47	12.01	-27.20
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096426	0	53	0.0	-38.01	393.43	12.01	-26.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC3=C(Br)C=CC=C23)CC1	REAL300003096427	0	43	0.0	-41.01	351.26	9.12	-31.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NNC3=C2C[C@H]2C[C@@H]32)CC1	REAL300003096428	0	45	0.0	-37.70	335.11	7.60	-30.10
COC1=CC(OC)=C(Cl)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096429	0	48	0.0	-39.94	373.66	7.10	-32.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC2C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300003096430	0	50	0.0	-41.10	390.67	11.39	-29.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3=C2N=CS3)CC1	REAL300003096431	0	46	0.0	-37.36	340.45	8.54	-28.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(N3C=NC=N3)CC2)CC1	REAL300003096432	0	43	0.0	-41.02	328.20	8.42	-32.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C3C=CC(C3)C2C2=CC=CC=C2)CC1	REAL300003096433	0	55	0.0	-39.53	383.87	11.54	-27.99
CC1=CC=CN=C1C=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096434	0	46	0.0	-51.24	351.12	8.47	-42.77
CCC1=CSC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096435	0	43	0.0	-37.59	331.95	8.42	-29.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CC3=CC=CC=C3)C=N2)CC1	REAL300003096436	0	52	0.0	-38.97	396.36	11.43	-27.54
CC1=CC(C)=NC(N2CCC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2)=N1	REAL300003096437	0	59	0.0	-44.13	428.25	10.02	-34.11
COC1=CC=C2NN=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=C1	REAL300003096438	0	47	0.0	-41.05	355.30	6.51	-34.54
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300003096439	1	45	0.0	-42.99	346.50	10.16	-32.83
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NNC1=O	REAL300003096441	0	42	0.0	-40.01	318.82	4.63	-35.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CC=CN3N=N2)CC1	REAL300003096442	0	42	0.0	-41.02	320.52	6.91	-34.11
COC1=CC=C2NC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C(C)C2=C1	REAL300003096443	0	51	0.0	-40.96	386.02	7.83	-33.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC(C)C(C)C2)CC1	REAL300003096444	0	55	0.0	-39.58	371.76	10.01	-29.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC=CC3=NC=CC=C32)CC1	REAL300003096445	0	44	0.0	-42.45	339.15	6.44	-36.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C(C)(C)C)C=C2[N+](=O)[O-])CC1	REAL300003096446	1	54	0.0	-42.05	401.20	11.81	-30.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(F)(F)CCN2C=CN=N2)CC1	REAL300003096447	1	45	0.0	-43.66	349.68	6.49	-37.17
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096448	1	46	0.0	-37.10	351.74	9.35	-27.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(F)(F)CCN2C=CC=N2)CC1	REAL300003096449	1	46	0.0	-39.80	355.82	7.73	-32.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CSC3=CN=CN32)CC1	REAL300003096450	0	40	0.0	-40.49	320.55	8.32	-32.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(CN3CCOCC3)C=CO2)CC1	REAL300003096451	1	53	0.0	-37.69	387.65	5.42	-32.27
CC1=NN=NN1C(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003096452	0	51	0.0	-54.64	380.94	8.33	-46.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN2C2=CN=CC=N2)CC1	REAL300003096453	0	50	0.0	-54.25	365.02	5.71	-48.54
CC1=CC=C(C=CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003096454	0	50	0.0	-54.24	379.62	11.01	-43.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=CC=C2)CC1	REAL300003096455	0	44	0.0	-52.40	336.12	9.48	-42.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=CN=C3)N=N2)CC1	REAL300003096456	1	45	0.0	-39.27	348.65	6.41	-32.86
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1CC1=CC=NC=C1	REAL300003096457	1	51	0.0	-41.64	389.80	7.45	-34.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=C(Br)SC=C2)CC1	REAL300003096458	0	43	0.0	-38.51	354.50	9.36	-29.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(CC2=CC=CC=C2)C2CCCCC2)CC1	REAL300003096459	0	62	0.0	-36.72	425.88	12.57	-24.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(CC(F)(F)F)C=N2)CC1	REAL300003096460	0	43	0.0	-40.30	342.73	9.39	-30.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC3=C(Cl)C=CC=C23)CC1	REAL300003096461	0	45	0.0	-37.77	350.07	8.71	-29.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN2[C@H](C)C2=CC=CC=C2)CC1	REAL300003096462	0	54	0.0	-38.08	394.79	11.49	-26.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN2[C@@H](C)C2=CC=CC=C2)CC1	REAL300003096463	0	54	0.0	-37.50	394.45	11.52	-25.98
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096464	0	54	0.0	-61.83	419.50	9.76	-52.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(O)CCCCCC2)CC1	REAL300003096465	0	50	0.0	-36.14	340.34	5.76	-30.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2[C@H]3C[C@]2(C2=CC=C(Cl)C=C2)CC3)CC1	REAL300003096466	0	54	0.0	-40.49	406.30	12.18	-28.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)C2=CC(Cl)=CC(Cl)=C2)CC1	REAL300003096467	1	42	0.0	-40.45	359.60	8.97	-31.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(S(N)(=O)=O)=CS2)CC1	REAL300003096468	1	42	0.0	-47.85	343.33	1.77	-46.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C(C)(C)C)O2)CC1	REAL300003096469	1	48	0.0	-36.58	358.54	5.63	-30.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3C(=O)NC=CC3=C2)CC1	REAL300003096470	0	45	0.0	-48.03	343.84	5.23	-42.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC=C(F)C(F)=C2)CC1	REAL300003096471	0	49	0.0	-40.06	355.72	9.64	-30.42
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096472	0	53	0.0	-41.92	387.31	10.30	-31.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC=C3C2)CC1	REAL300003096473	0	45	0.0	-41.91	334.09	9.76	-32.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2Br)CC1	REAL300003096474	0	47	0.0	-43.44	369.91	10.76	-32.68
COC1=CC=CC=C1N1N=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096475	0	51	0.0	-42.66	382.12	8.50	-34.16
COCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC=CCC1	REAL300003096476	0	51	0.0	-43.96	356.33	7.37	-36.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCOCC23CCCCC3)CC1	REAL300003096477	0	57	0.0	-40.16	371.89	8.47	-31.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C(F)(F)F)CC3CCC2CC3)CC1	REAL300003096478	0	53	0.0	-39.34	357.39	9.38	-29.96
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CC=CC=C2F)=NO1	REAL300003096479	0	49	0.0	-43.83	382.00	9.98	-33.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CC=C3)CCOC2)CC1	REAL300003096480	0	51	0.0	-50.46	364.64	8.07	-42.39
CC1=CC=C(C2CCCCC2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003096481	0	59	0.0	-39.20	422.57	12.41	-26.79
CCC1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CCCC2=CC=CC=C21	REAL300003096482	0	56	0.0	-41.47	381.91	10.76	-30.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CC3)CCCO2)CC1	REAL300003096483	0	48	0.0	-35.59	332.98	7.37	-28.22
CCC(C)C1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(=O)N1	REAL300003096484	0	52	0.0	-43.63	387.50	7.67	-35.96
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096485	0	62	0.0	-56.49	445.40	12.24	-44.25
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096486	0	50	0.0	-44.44	384.43	10.50	-33.94
CC1=CC=C(OC(C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1	REAL300003096487	0	53	0.0	-56.87	390.64	10.58	-46.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=CC(Cl)=CC=C32)CC1	REAL300003096488	0	46	0.0	-39.08	361.31	10.71	-28.37
CC(C)CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1	REAL300003096489	0	55	0.0	-41.20	396.24	11.19	-30.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCN3N=CN=C3C2)CC1	REAL300003096490	0	46	0.0	-44.71	336.61	8.05	-36.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(C3=CC=C(F)C=C3)=C2)CC1	REAL300003096491	0	49	0.0	-39.62	373.58	9.52	-30.10
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=C(C2=NNC=N2)S1	REAL300003096492	1	45	0.0	-39.12	357.59	7.51	-31.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(CC3=CC=CC=C3)=CN2)CC1	REAL300003096493	0	51	0.0	-39.77	387.03	10.72	-29.05
C=CCCC(CC(C)C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096494	0	55	0.0	-38.48	385.02	10.11	-28.37
C=CCC(CC(C)C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096495	0	52	0.0	-38.88	373.04	9.64	-29.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3NC(C4=CC=CC=C4)=NC3=C2)CC1	REAL300003096496	0	53	0.0	-41.51	404.38	10.51	-31.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CSC=C3)C=C2)CC1	REAL300003096497	0	47	0.0	-38.61	362.17	10.30	-28.31
CC(C)COC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C(C)C	REAL300003096498	0	55	0.0	-41.81	390.67	9.52	-32.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3=CC(Br)=CN=C3C2)CC1	REAL300003096499	0	46	0.0	-56.04	361.18	8.66	-47.38
CC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=CC2=NN1	REAL300003096500	0	45	0.0	-39.56	342.22	6.32	-33.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(CC2=CC=CC=C2)C2=CC=C(F)C=C2)CC1	REAL300003096501	0	56	0.0	-39.06	422.98	12.90	-26.16
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096502	0	56	0.0	-59.01	422.17	11.74	-47.27
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096503	0	58	0.0	-38.73	402.55	11.61	-27.12
CC1=CC2=CC=CN=C2C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096504	0	48	0.0	-46.04	357.76	9.22	-36.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3N=CC=CN23)CC1	REAL300003096505	0	42	0.0	-45.26	317.33	8.82	-36.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC(Br)=CS2)CC1	REAL300003096506	0	40	0.0	-42.76	335.85	8.68	-34.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC(C)(C2)OC3C)CC1	REAL300003096507	0	48	0.0	-38.09	342.64	6.78	-31.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23COC(C=CC2)C3)CC1	REAL300003096508	0	46	0.0	-38.15	322.49	6.52	-31.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC=C2C2=CN(C)N=C2)CC1	REAL300003096509	0	50	0.0	-42.14	373.10	9.21	-32.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3CCC3)ON=C2)CC1	REAL300003096510	1	46	0.0	-38.21	338.88	8.20	-30.01
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300003096511	0	48	0.0	-40.61	362.72	8.87	-31.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(C3=CC=CC=C3)S2)CC1	REAL300003096512	0	51	0.0	-39.46	401.17	12.24	-27.22
COCCN1C=CC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=CC=C21	REAL300003096513	0	54	0.0	-40.76	406.37	9.59	-31.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H](C)C2=CC=C(F)C=C2)CC1	REAL300003096514	0	46	0.0	-43.98	342.95	9.33	-34.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2C[C@@H](C3=CC=CC=C3)C2)CC1	REAL300003096515	0	50	0.0	-40.77	367.51	10.71	-30.06
CCC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)CC(F)(F)F	REAL300003096516	0	48	0.0	-51.19	357.31	8.97	-42.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23COC(C2)CCC3)CC1	REAL300003096517	0	48	0.0	-51.54	330.91	6.61	-44.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CCC(C)(C2)OC3)CC1	REAL300003096518	0	48	0.0	-40.74	338.06	6.70	-34.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(CC2=CC=C(F)C=C2)C2=CC=CC=C2)CC1	REAL300003096519	0	56	0.0	-53.73	428.43	13.04	-40.69
CC(C)N1C=CC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=CC=C21	REAL300003096520	0	53	0.0	-38.91	394.27	11.08	-27.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(N(C)C)=CC=C2Br)CC1	REAL300003096521	0	48	0.0	-37.41	371.73	8.98	-28.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN3CC(F)CC3=C2)CC1	REAL300003096522	0	44	0.0	-41.20	332.36	7.28	-33.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CCN(CCC2)S3(=O)=O)CC1	REAL300003096523	1	49	0.0	-45.85	344.79	4.45	-41.40
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC2=CC(F)=CC(F)=C12	REAL300003096524	0	47	0.0	-40.06	367.26	8.63	-31.43
CC1=CC2=C(C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N2)O1	REAL300003096525	0	44	0.0	-39.51	332.77	7.28	-32.23
CC(C)C1=CNC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=NC2=C1	REAL300003096526	1	52	0.0	-43.47	386.23	8.84	-34.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C(=C2)CCCS3(=O)=O)CC1	REAL300003096528	1	50	0.0	-47.45	378.17	6.41	-41.04
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CC2=CC=CC=C21	REAL300003096529	0	49	0.0	-37.59	360.32	10.70	-26.89
COC1=CC=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003096530	0	49	0.0	-52.61	374.96	6.59	-46.02
CC1=CC=CC([C@@H](C)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096531	0	49	0.0	-40.67	362.74	10.07	-30.60
COC1=CC(C)=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003096532	0	46	0.0	-37.87	344.62	5.21	-32.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(C=CS3)N2C)CC1	REAL300003096533	0	44	0.0	-37.75	337.57	8.56	-29.19
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C1CCC1	REAL300003096534	0	50	0.0	-39.49	370.69	8.44	-31.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3CCCCC3=CN2)CC1	REAL300003096535	0	48	0.0	-38.25	352.04	8.32	-29.93
COCCOCC=CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096536	0	48	0.0	-55.76	368.60	5.84	-49.92
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN(C)C3=C2COCC3)CC1	REAL300003096537	1	48	0.0	-39.34	353.67	6.28	-33.06
CCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)N1C=NC=N1	REAL300003096538	0	45	0.0	-41.73	331.36	8.50	-33.23
CC1=NN(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=C1C	REAL300003096539	0	49	0.0	-44.50	365.71	7.94	-36.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)(F)F)N=C3C=NN(C)C3=C2)CC1	REAL300003096540	1	48	0.0	-50.62	379.51	6.96	-43.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C(Cl)C=C3F)CC2)CC1	REAL300003096541	0	47	0.0	-42.67	369.05	10.31	-32.36
CC1=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC=C1	REAL300003096542	0	43	0.0	-41.26	332.60	8.67	-32.59
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC(C(F)(F)F)=CO2)CC1	REAL300003096543	0	43	0.0	-44.19	345.67	8.20	-35.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C3(S(C)(=O)=O)CC3)=C2)CC1	REAL300003096544	0	53	0.0	-51.94	398.38	7.12	-44.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3N=CC=C3C=C2)CC1	REAL300003096545	0	43	0.0	-41.91	324.65	7.68	-34.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3=NN=CN32)CC1	REAL300003096546	0	46	0.0	-47.56	334.97	8.76	-38.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCCC(C)(C)O2)CC1	REAL300003096547	0	53	0.0	-40.54	372.88	9.05	-31.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2C=CC3=CC(F)=CC=C32)CC1	REAL300003096548	0	47	0.0	-47.16	363.65	10.49	-36.67
CC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)SC2=C(C)S1	REAL300003096549	1	46	0.0	-36.08	368.68	9.85	-26.23
COC1=CC2=NC=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=C2C=C1	REAL300003096550	0	49	0.0	-41.32	366.74	7.59	-33.73
COC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CN=C1	REAL300003096551	0	46	0.0	-45.09	345.80	6.96	-38.13
CCSC1CCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003096552	0	53	0.0	-42.53	377.81	10.05	-32.48
CC1=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(C)=N1	REAL300003096553	0	51	0.0	-42.56	383.58	9.24	-33.32
CC1=NN(C2CCC2)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096554	0	50	0.0	-39.61	364.56	8.15	-31.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C3=CC=CC(F)=C3)N=C2)CC1	REAL300003096555	0	47	0.0	-41.60	363.51	9.14	-32.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NC3=C2CCC3)CC1	REAL300003096556	0	46	0.0	-41.65	336.12	7.97	-33.68
CCC1=C(C)SC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096557	0	46	0.0	-36.92	349.50	9.07	-27.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(OC(F)(F)F)C2)CC1	REAL300003096558	0	44	0.0	-40.53	341.98	6.77	-33.76
CC1=CC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2C=C1	REAL300003096559	0	49	0.0	-37.19	365.07	10.82	-26.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C3COCCC3=C2)CC1	REAL300003096560	0	51	0.0	-44.41	378.01	9.09	-35.32
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C3CCOCC3=C2)CC1	REAL300003096561	0	51	0.0	-42.56	377.77	9.06	-33.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(S(C)(=O)=O)=CO2)CC1	REAL300003096562	1	43	0.0	-47.09	343.97	3.73	-43.36
CCN1N=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003096563	1	45	0.0	-38.10	335.58	6.23	-31.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(C3=CC=CC(F)=C3)=C2)CC1	REAL300003096564	0	49	0.0	-54.51	376.14	9.51	-45.00
CCC1=CC=C(N2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)N=N2)C=C1	REAL300003096565	1	52	0.0	-37.44	396.60	9.70	-27.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCCC(F)(F)C2)CC1	REAL300003096566	0	49	0.0	-42.11	355.03	9.36	-32.75
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096567	0	61	0.0	-40.70	430.87	12.53	-28.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CC(C(F)F)C2)CC1	REAL300003096568	0	46	0.0	-43.11	342.83	8.87	-34.24
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096569	0	51	0.0	-40.76	387.29	9.80	-30.96
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096570	0	48	0.0	-47.98	373.84	8.07	-39.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=C(N3CCOCC3)C=C2)CC1	REAL300003096571	0	56	0.0	-44.17	408.08	7.82	-36.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=C3OCCOC3=C2)CC1	REAL300003096572	0	53	0.0	-45.79	396.14	9.42	-36.37
CCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1Cl	REAL300003096573	0	46	0.0	-36.52	352.94	9.68	-26.84
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096574	0	54	0.0	-42.16	401.99	6.91	-35.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CC3CC3)C=C2)CC1	REAL300003096575	0	50	0.0	-36.76	372.24	10.87	-25.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3CCCCC3=C2)CC1	REAL300003096576	0	49	0.0	-37.25	355.48	8.50	-28.75
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096577	0	48	0.0	-41.08	365.98	9.94	-31.14
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC2C2=CC=CC=C2Cl)CC1	REAL300003096578	0	50	0.0	-41.56	380.39	11.10	-30.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Br)=C3OC=CC3=C2)CC1	REAL300003096579	0	43	0.0	-39.46	346.11	8.86	-30.60
COCCN1C=CC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC=C21	REAL300003096580	0	54	0.0	-54.69	409.98	9.62	-45.07
CC(C)N1C=CC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CC=C21	REAL300003096581	0	53	0.0	-54.34	394.34	11.03	-43.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=NN2CC2CC2)CC1	REAL300003096582	0	47	0.0	-39.87	348.50	8.13	-31.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCOCC2(C)C)CC1	REAL300003096583	0	50	0.0	-40.82	338.91	6.81	-34.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=NN=CN32)CC1	REAL300003096584	0	42	0.0	-44.98	324.74	9.10	-35.88
C=CCOCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C(C)(C)C	REAL300003096585	0	56	0.0	-49.90	392.43	9.01	-40.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3(C)CCCN3S2(=O)=O)CC1	REAL300003096586	1	52	0.0	-61.49	385.94	4.54	-56.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C(F)F)C=NN2C)CC1	REAL300003096587	0	43	0.0	-43.02	337.55	6.61	-36.41
CC1=NN(C2CCC2)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096588	0	50	0.0	-39.19	366.19	8.48	-30.71
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096589	0	51	0.0	-52.51	398.18	10.22	-42.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2OCCCC2(C)C)CC1	REAL300003096590	0	53	0.0	-40.73	367.95	8.69	-32.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=C(Cl)C=C2F)CC1	REAL300003096591	0	44	0.0	-44.16	355.18	10.02	-34.14
COC1=CC2=CC=C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2C=C1	REAL300003096592	0	53	0.0	-45.99	399.70	10.51	-35.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=C(Cl)C=NN3C)=NO2)CC1	REAL300003096593	1	46	0.0	-40.81	370.02	7.10	-33.71
COC1=CC=C(Br)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1C	REAL300003096594	0	47	0.0	-36.51	371.17	8.57	-27.94
COC1=NC=C(Cl)C(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096595	1	46	0.0	-40.09	364.56	5.83	-34.26
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096596	1	50	0.0	-43.49	390.51	7.49	-36.00
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CCC(C)(CC2)CO3)CC1	REAL300003096597	0	51	0.0	-47.96	356.29	7.87	-40.09
CCCCOC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003096598	0	57	0.0	-40.95	427.21	11.28	-29.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3C=COC3=C2)CC1	REAL300003096599	0	43	0.0	-39.02	326.23	8.25	-30.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=NC=C2Cl)CC1	REAL300003096600	0	46	0.0	-45.32	361.02	8.92	-36.40
CC1=C(C)NC(=O)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096601	0	46	0.0	-44.13	348.45	6.22	-37.91
CCN1N=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1C	REAL300003096602	0	46	0.0	-38.50	343.43	7.67	-30.83
CCCN1C=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096603	0	47	0.0	-37.28	344.02	9.04	-28.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CN(C(C)(C)C)N=C2)CC1	REAL300003096604	0	52	0.0	-46.26	386.87	8.79	-37.47
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=C(F)C(F)=C1	REAL300003096605	0	49	0.0	-56.24	374.71	10.38	-45.86
CC1=CC=C(C2(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2)C(F)=C1	REAL300003096606	0	50	0.0	-38.17	372.28	10.52	-27.65
CCCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=NN1CC	REAL300003096607	1	51	0.0	-36.10	373.64	7.55	-28.55
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(C2=NNC=N2)=N1	REAL300003096608	1	48	0.0	-45.83	377.08	7.13	-38.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3NC=NC3=CC(Br)=C2)CC1	REAL300003096609	0	43	0.0	-40.62	347.32	8.22	-32.40
CC1=C2CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCC2=NN1	REAL300003096610	1	50	0.0	-43.17	363.66	7.44	-35.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=C(Br)C=CS2)CC1	REAL300003096611	0	43	0.0	-39.93	355.15	9.42	-30.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3NC(C4CC4)=NC3=C2)CC1	REAL300003096612	0	50	0.0	-40.76	376.63	8.97	-31.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)OC2=C(F)C=CC=C2F)CC1	REAL300003096613	0	50	0.0	-60.19	369.70	9.52	-50.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(S(N)(=O)=O)=CO2)CC1	REAL300003096614	1	42	0.0	-48.35	337.36	1.15	-47.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=NC(C(F)(F)F)=CN3C2)CC1	REAL300003096615	0	50	0.0	-47.45	384.88	9.26	-38.19
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096616	0	49	0.0	-43.44	380.25	10.55	-32.89
CSC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300003096617	0	46	0.0	-43.48	361.18	9.43	-34.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3N=NC=C3C=C2)CC1	REAL300003096618	0	42	0.0	-48.71	318.82	6.38	-42.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C[C@@H](C)O[C@@H](C)C3=NN2)CC1	REAL300003096619	0	51	0.0	-38.63	374.32	6.48	-32.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NNC3=C2C[C@@H](C)O[C@H]3C)CC1	REAL300003096619	1	51	0.0	-38.63	374.32	6.48	-32.15
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCNC2=CN=CN=C2)CC1	REAL300003096620	0	46	0.0	-58.20	352.09	6.00	-52.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CC3(CCC3)C2)CC1	REAL300003096621	0	50	0.0	-51.58	363.94	9.92	-41.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C[C@@H](O)C2=CC=CC=C2)CC1	REAL300003096622	0	47	0.0	-42.04	352.27	7.50	-34.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC(F)(F)CC2)CC1	REAL300003096623	0	49	0.0	-54.53	352.53	8.97	-45.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=CC=NN3C2)CC1	REAL300003096624	0	47	0.0	-45.91	344.32	7.44	-38.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=NSC3=CC=C2)CC1	REAL300003096625	0	42	0.0	-41.53	326.35	7.93	-33.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)COC2=CN(C)N=C2)CC1	REAL300003096626	0	44	0.0	-59.14	340.89	6.72	-52.42
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(S(C)(=O)=O)C=C2Cl)CC1	REAL300003096627	1	46	0.0	-48.73	376.11	5.99	-42.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC(C3CC3)=NC=C2Cl)CC1	REAL300003096628	1	45	0.0	-35.17	353.71	8.99	-26.18
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C(C)(C)C)N=C2C(C)(C)C)CC1	REAL300003096629	0	61	0.0	-39.39	437.58	10.05	-29.34
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CC=C2C=N1	REAL300003096630	0	48	0.0	-40.63	363.79	9.01	-31.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=NN(C)C3=NC(C3CC3)=C2)CC1	REAL300003096631	0	52	0.0	-40.30	390.28	9.01	-31.29
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CCC(C(F)(F)F)(CC2)C3)CC1	REAL300003096632	0	50	0.0	-41.07	364.53	9.37	-31.70
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096633	0	52	0.0	-39.58	359.59	9.42	-30.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CC=NC=C2)CC1	REAL300003096634	0	43	0.0	-42.95	327.99	7.70	-35.25
COC1=CC=C(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(OC)=C1OC	REAL300003096635	0	56	0.0	-47.18	426.85	8.74	-38.44
CC=CC1=CC=C(OCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(OC)=C1	REAL300003096636	0	55	0.0	-60.36	418.11	10.67	-49.69
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(OC3=CC=CC=C3)CC2)CC1	REAL300003096637	0	57	0.0	-44.93	402.61	10.60	-34.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3=CC=CN=C3C2)CC1	REAL300003096638	0	46	0.0	-42.77	337.89	8.07	-34.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3C(=NN=C3C3=CC=CC=C3)C=C2)CC1	REAL300003096639	0	52	0.0	-61.09	404.36	11.89	-49.20
CC1=CC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CN=C2C(F)=C1	REAL300003096640	0	48	0.0	-41.53	365.87	8.91	-32.62
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC(C3=CN(C)N=C3)=N2)CC1	REAL300003096641	1	46	0.0	-39.89	360.68	5.36	-34.53
COC1=C2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NC2=C(C)C=C1	REAL300003096642	0	51	0.0	-41.25	381.15	8.32	-32.93
COC1=NC2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=C2C=C1	REAL300003096643	0	49	0.0	-42.32	372.44	6.84	-35.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(COC3=CC=C(F)C=C3)=C2)CC1	REAL300003096644	1	50	0.0	-40.01	393.18	9.32	-30.69
CCCCOC1=CC=C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1	REAL300003096645	0	56	0.0	-55.39	421.53	10.83	-44.56
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C(C)(C)C)=CC=N2)CC1	REAL300003096646	0	51	0.0	-37.01	370.33	9.33	-27.68
CC1=CN2C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CN=C2S1	REAL300003096647	0	43	0.0	-41.35	336.97	8.25	-33.10
CCCC(CCC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096648	0	58	0.0	-42.26	417.83	12.07	-30.19
CCC(C)(C)C1CCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003096649	0	61	0.0	-53.43	409.22	10.78	-42.65
COC1CC2(C1)CCC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)CC2	REAL300003096650	0	57	0.0	-43.47	402.34	8.98	-34.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2COC3COCC32)CC1	REAL300003096651	0	46	0.0	-57.65	327.22	6.07	-51.58
CC1=CC2=CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CN=C2C=C1	REAL300003096652	0	48	0.0	-39.26	359.63	8.82	-30.44
CCC(CCC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096653	0	55	0.0	-42.28	396.37	11.31	-30.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(C3=CN(C)N=N3)=C2)CC1	REAL300003096654	1	45	0.0	-43.19	354.49	6.14	-37.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=CC=C3CCOCC3=C2)CC1	REAL300003096655	0	54	0.0	-53.47	402.22	9.90	-43.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC23CCC(F)(F)CC3)CC1	REAL300003096656	0	50	0.0	-39.71	362.68	9.76	-29.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C([N+](=O)[O-])C(N(C)C)=C2)CC1	REAL300003096657	0	50	0.0	-42.57	377.98	9.16	-33.41
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(=O)NC(C2=CC=CO2)=N1	REAL300003096658	1	49	0.0	-41.29	384.72	6.48	-34.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(C(C)(C)C)=C2)CC1	REAL300003096659	0	51	0.0	-37.13	369.30	8.33	-28.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OC3=CC=C(F)C=C3)S2)CC1	REAL300003096660	1	48	0.0	-38.41	385.63	10.00	-28.41
COC1CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C1(C)C	REAL300003096661	0	53	0.0	-42.39	380.33	8.19	-34.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3=CC=C(C#N)C=C3)OC=N2)CC1	REAL300003096662	0	47	0.0	-42.15	379.88	7.03	-35.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3N=CC=C(C(C)(C)C)N3N=C2)CC1	REAL300003096663	0	54	0.0	-44.85	394.42	9.28	-35.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3(CC3(F)F)C2)CC1	REAL300003096664	0	47	0.0	-40.95	348.09	9.19	-31.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3C2C3(F)F)CC1	REAL300003096665	0	47	0.0	-45.64	338.67	8.89	-36.75
C=C1CC2(C1)CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C2	REAL300003096666	0	48	0.0	-38.59	352.69	9.64	-28.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C[C@@H]2OC3=CC=CC=C3[C@@H]2C)CC1	REAL300003096667	0	51	0.0	-43.56	374.53	10.05	-33.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2C(C)(C)C)CC1	REAL300003096668	0	58	0.0	-35.73	372.07	10.46	-25.27
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C(F)F)=NN1C	REAL300003096669	0	46	0.0	-47.45	359.28	7.11	-40.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3CCCC3)=NN2)CC1	REAL300003096670	0	50	0.0	-37.44	362.73	7.88	-29.56
COC1=CC=CC=C1OC(C)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096671	0	51	0.0	-60.47	378.41	8.95	-51.52
CC1=C(Cl)C=NN1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096672	0	43	0.0	-49.26	341.59	7.26	-42.00
CC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=C1S(=O)(=O)N(C)C	REAL300003096673	0	54	0.0	-44.80	409.09	6.83	-37.97
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N2C=C(C)SC2=N1	REAL300003096674	0	49	0.0	-40.81	385.94	9.82	-30.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(C3CCCO3)O2)CC1	REAL300003096675	0	52	0.0	-42.88	372.35	7.80	-35.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3N=NN(C)C3=CC=C2)CC1	REAL300003096676	0	45	0.0	-46.58	343.03	6.51	-40.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3OCCCC3=C2)CC1	REAL300003096677	0	47	0.0	-42.26	347.72	5.47	-36.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=NC=C3)=NO2)CC1	REAL300003096678	1	45	0.0	-39.60	349.69	7.31	-32.29
CC1=CC2=C(C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)S2)S1	REAL300003096679	1	43	0.0	-36.00	346.15	9.16	-26.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC23CCC(CC2)C3)CC1	REAL300003096680	0	50	0.0	-38.36	347.51	9.57	-28.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC=CC3=CC=CC=C32)CC1	REAL300003096681	0	48	0.0	-43.75	352.84	10.20	-33.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(Cl)=CS2)CC1	REAL300003096682	1	37	0.0	-38.72	304.66	7.39	-31.33
CCCOCCCC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096683	0	49	0.0	-54.21	365.69	7.64	-46.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN3C=NN=C3C=N2)CC1	REAL300003096684	0	41	0.0	-41.59	314.49	8.31	-33.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC=C2CS(N)(=O)=O)CC1	REAL300003096685	0	51	0.0	-48.74	393.84	4.55	-44.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2(C3=CC=C(C(F)(F)F)C=C3)CC2)CC1	REAL300003096686	0	53	0.0	-42.50	409.03	11.83	-30.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=NC=CC=C23)CC1	REAL300003096687	0	45	0.0	-40.36	338.75	8.31	-32.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3SC=CC3=CN=C2)CC1	REAL300003096688	0	42	0.0	-39.11	331.18	7.50	-31.61
CC(C)C(C)C(C)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096689	0	54	0.0	-37.96	368.73	9.47	-28.49
COC1CC2(C1)CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C2	REAL300003096690	0	51	0.0	-39.10	371.84	8.03	-31.07
CC1=CC2=C(OCC2)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096691	0	48	0.0	-40.29	354.13	8.53	-31.76
CC(C)OCC1=CC=CC=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096692	0	56	0.0	-42.92	415.39	10.47	-32.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(C)(C)OC2)CC1	REAL300003096693	0	50	0.0	-37.63	350.49	7.19	-30.44
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCCC23CCC3)CC1	REAL300003096694	0	53	0.0	-37.27	357.33	10.10	-27.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23COC(C)(C2)CCC3)CC1	REAL300003096695	0	51	0.0	-37.52	345.57	7.14	-30.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=C(Cl)C=CC=C2Cl)CC1	REAL300003096696	0	47	0.0	-38.47	379.75	11.06	-27.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C2=CC=CC=C2)CC1	REAL300003096697	0	56	0.0	-51.87	403.20	11.76	-40.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(Cl)C=NN2C2CCCC2)CC1	REAL300003096698	0	50	0.0	-37.04	387.91	9.20	-27.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(C3CC3)C=CO2)CC1	REAL300003096699	1	44	0.0	-38.56	328.81	8.43	-30.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3=CC=CC=N3)=NN2)CC1	REAL300003096700	0	46	0.0	-42.73	354.81	6.63	-36.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=CC=N3)S2)CC1	REAL300003096701	1	46	0.0	-41.18	362.81	8.85	-32.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C(C)(C)C2(F)F)CC1	REAL300003096702	0	43	0.0	-36.42	320.58	8.03	-28.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=C(N(C)C)C=C3C=C2)CC1	REAL300003096703	0	54	0.0	-38.15	396.01	10.57	-27.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C(F)(F)C23CCC3)CC1	REAL300003096704	0	44	0.0	-37.87	332.53	8.82	-29.05
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)OC(S(N)(=O)=O)=C1	REAL300003096705	1	45	0.0	-44.14	354.61	1.86	-42.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3CC3(F)F)C=C2)CC1	REAL300003096706	0	47	0.0	-39.83	359.03	10.15	-29.68
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3(CC3(F)F)CC2)CC1	REAL300003096707	0	50	0.0	-40.63	368.63	9.86	-30.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3(CC3(F)F)C2)CC1	REAL300003096708	0	44	0.0	-43.55	336.32	8.80	-34.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CCOCC3)CC2(F)F)CC1	REAL300003096709	0	51	0.0	-59.23	372.65	7.92	-51.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3CCC3)CC2(F)F)CC1	REAL300003096710	0	47	0.0	-35.36	337.86	8.80	-26.56
CC1=CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1	REAL300003096711	1	46	0.0	-52.77	350.36	6.76	-46.01
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)CC1	REAL300003096712	1	54	0.0	-76.92	400.21	9.00	-67.92
CC(CN1C=CN=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096713	0	46	0.0	-43.13	339.68	8.80	-34.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2CC[C@@H](NC3=CC=CC=N3)CC2)CC1	REAL300003096714	0	57	0.0	-43.39	405.49	9.52	-33.87
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CN2N=NC3=CC=CC=C32)CC1	REAL300003096715	0	45	0.0	-66.39	350.57	7.01	-59.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC3=CC=CNC3=C2)CC1	REAL300003096716	1	43	0.0	-45.72	326.30	6.97	-38.75
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3=C2N=CN3C)CC1	REAL300003096717	0	50	0.0	-38.14	365.03	9.65	-28.49
COC1=C(Cl)C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=NC=CC=C21	REAL300003096718	0	49	0.0	-40.15	388.53	8.58	-31.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CN3N=NC=C23)CC1	REAL300003096719	0	42	0.0	-45.51	326.68	6.63	-38.88
CC(CC(=O)[O-])N1CCN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)CC1	REAL300003096720	1	55	0.0	-76.27	407.48	7.46	-68.81
COCC1=CC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N1	REAL300003096721	0	45	0.0	-40.51	337.21	6.00	-34.51
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=NN1C(C)C(C)C	REAL300003096722	0	55	0.0	-37.84	397.43	9.10	-28.74
CCCSC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096723	0	50	0.0	-54.71	383.48	10.55	-44.16
COC1=CC=C2C(=C1)CCCC2C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096724	0	54	0.0	-43.39	389.93	9.69	-33.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=CC(Cl)=C3)C=N2)CC1	REAL300003096725	0	49	0.0	-36.94	384.69	10.98	-25.96
CCCCSC1=CC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096726	0	53	0.0	-39.38	401.62	11.31	-28.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2=CC=C(Cl)C=C2Cl)CC1	REAL300003096727	0	44	0.0	-37.50	353.46	7.12	-30.38
CC1=NC=NC2=C1CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)CC2	REAL300003096728	0	51	0.0	-43.95	367.90	8.90	-35.05
CC1=NN(C)C(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096729	0	46	0.0	-46.98	346.30	7.05	-39.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC3=CC=C(Br)C=C23)CC1	REAL300003096730	0	43	0.0	-41.42	350.81	9.08	-32.34
COC1=CC=CC(CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003096731	0	46	0.0	-45.92	349.63	5.98	-39.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C2=CC(C(F)(F)F)=CC=N2)CC1	REAL300003096732	0	51	0.0	-43.64	380.45	9.26	-34.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC(OC(F)(F)F)CC2)CC1	REAL300003096733	0	50	0.0	-41.39	373.25	7.89	-33.50
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CSC(Cl)=C2)CC1	REAL300003096734	0	40	0.0	-43.43	331.27	8.52	-34.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=C(Br)C=C3O2)CC1	REAL300003096735	1	43	0.0	-36.25	348.87	9.32	-26.93
CC(C)OC1=CC=C(F)C=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096736	0	50	0.0	-40.23	371.29	9.82	-30.41
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096737	0	49	0.0	-42.72	391.45	11.05	-31.67
CC(CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)CC(F)(F)F	REAL300003096738	0	45	0.0	-55.03	339.37	8.36	-46.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC23CC(C)(C)C3)CC1	REAL300003096739	0	50	0.0	-37.80	362.15	9.75	-28.05
COC1=CC=C(N2CCCCC2)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096740	0	59	0.0	-38.45	419.18	8.82	-29.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCC3(CCCC3)CC2)CC1	REAL300003096741	0	59	0.0	-50.86	404.78	11.41	-39.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC23CCC3)CC1	REAL300003096742	0	50	0.0	-37.61	343.61	9.18	-28.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3OCC(C)C3=CC=C2)CC1	REAL300003096743	0	48	0.0	-40.27	357.80	8.47	-31.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(C3CCC3)C2)CC1	REAL300003096744	0	50	0.0	-39.89	360.10	9.95	-29.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3CCOCC3=C2)CC1	REAL300003096745	0	47	0.0	-39.82	345.94	6.04	-33.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2COCC3=CC=CC=C32)CC1	REAL300003096746	0	51	0.0	-40.93	369.29	8.87	-32.06
CC1=NN=C2CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CN12	REAL300003096747	0	46	0.0	-55.08	338.41	8.19	-46.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCCCCC2(F)F)CC1	REAL300003096748	0	52	0.0	-38.16	361.93	9.68	-28.48
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C(=O)C3=CC=CC=C3)=C2)CC1	REAL300003096749	0	52	0.0	-47.79	394.42	11.14	-36.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC23CC(C)(C2)OC3)CC1	REAL300003096750	0	48	0.0	-43.38	347.33	7.14	-36.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCS(=O)(=O)C(C)C2)CC1	REAL300003096751	0	49	0.0	-65.54	364.97	5.02	-60.52
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCCC[C@H]23)CC1	REAL300003096752	0	53	0.0	-38.18	361.08	9.87	-28.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@]23CCCC2=CC=CC=C23)CC1	REAL300003096753	0	54	0.0	-38.88	386.88	11.83	-27.05
CCC1=CN2CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCC2=N1	REAL300003096754	0	53	0.0	-45.30	385.65	9.53	-35.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC23CCC(CC2)C3)CC1	REAL300003096755	0	53	0.0	-38.52	372.63	10.32	-28.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CC3=CC=CC=C3)C=C2)CC1	REAL300003096756	0	53	0.0	-40.23	400.09	12.32	-27.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(N3C=CN=C3)=N2)CC1	REAL300003096757	1	45	0.0	-40.65	347.00	8.64	-32.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC3=C2OC(C)(C)C3)CC1	REAL300003096758	0	54	0.0	-40.14	401.47	10.19	-29.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOC2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300003096759	0	52	0.0	-63.38	406.75	10.09	-53.29
COC1=CN=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096760	1	42	0.0	-37.85	318.30	4.83	-33.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCCOC2CCC(C)CC2)CC1	REAL300003096761	0	59	0.0	-53.80	424.86	10.26	-43.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(F)C2CCOC2)CC1	REAL300003096762	0	44	0.0	-42.01	320.14	6.08	-35.93
CCC1(C)CCC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)O1	REAL300003096763	0	50	0.0	-43.31	355.09	8.45	-34.86
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C3SN=CC3=C2)CC1	REAL300003096764	0	42	0.0	-42.03	330.96	8.12	-33.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CN(C)C3=CC=CC=C3)C=C2)CC1	REAL300003096765	0	58	0.0	-37.50	425.78	12.11	-25.39
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN([C@@H]3COC[C@@H]3F)N=N2)CC1	REAL300003096766	1	47	0.0	-39.52	356.18	5.12	-34.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3(CCC3)CO2)CC1	REAL300003096767	0	48	0.0	-55.54	346.75	8.18	-47.36
COC1=CC([C@@H]2C[C@H]2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C(OC)C=C1C	REAL300003096768	0	58	0.0	-44.77	429.60	9.67	-35.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC3=NC=CN3C=C2)CC1	REAL300003096769	1	42	0.0	-39.56	320.78	9.89	-29.67
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCCCC2(F)F)CC1	REAL300003096770	0	49	0.0	-38.19	353.74	9.31	-28.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CC=NN3C)C=C2)CC1	REAL300003096771	0	50	0.0	-42.38	372.00	8.87	-33.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3(CC(F)C3)C2)CC1	REAL300003096772	0	47	0.0	-41.18	345.02	9.15	-32.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CCC(C2)S(=O)(=O)CC3)CC1	REAL300003096773	0	50	0.0	-50.47	351.20	4.89	-45.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3=NC=CC=C32)CC1	REAL300003096774	0	49	0.0	-44.88	355.94	8.63	-36.25
COC1(C2=CC=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=N2)CCOCC1	REAL300003096775	0	57	0.0	-38.95	411.69	6.50	-32.45
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096776	0	48	0.0	-42.36	389.04	8.45	-33.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC2=C(F)C=CC=C2Cl)CC1	REAL300003096777	0	46	0.0	-39.90	364.85	10.24	-29.66
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)C3=CC=C(Cl)C=C23)CC1	REAL300003096778	0	47	0.0	-42.77	370.99	10.22	-32.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CCF)C=C2)CC1	REAL300003096779	0	46	0.0	-38.01	347.07	9.50	-28.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3=CSC=C3C2)CC1	REAL300003096780	0	44	0.0	-40.92	332.77	8.80	-32.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(N3CCNS3(=O)=O)C=C2)CC1	REAL300003096781	0	51	0.0	-50.36	389.63	3.98	-46.38
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CN=NN3C=C2)CC1	REAL300003096782	0	42	0.0	-45.97	325.50	6.72	-39.25
CCC1=CC=CC(CC)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096783	0	55	0.0	-41.52	392.38	11.25	-30.27
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC(C)(C)CC2)CC1	REAL300003096784	0	55	0.0	-39.26	357.75	9.36	-29.90
CC(C)[C@H]1CC[C@@H](C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003096785	0	55	0.0	-52.41	373.89	9.84	-42.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(OCC(F)F)C=C2)CC1	REAL300003096786	0	47	0.0	-42.18	361.87	8.48	-33.70
CC1=CN2C=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C=CC2=N1	REAL300003096787	0	46	0.0	-57.49	355.79	9.29	-48.20
CC1=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C2C=CNC2=N1	REAL300003096788	0	45	0.0	-39.21	339.58	7.80	-31.41
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC=CC(OCC3CC3)=C2)CC1	REAL300003096789	0	54	0.0	-41.76	407.08	10.78	-30.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC=C3C([N+](=O)[O-])=C2)CC1	REAL300003096790	0	48	0.0	-41.88	367.78	10.69	-31.19
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCOC3(CCCCC3)C2)CC1	REAL300003096791	0	57	0.0	-42.05	386.63	9.04	-33.01
CC(C)N1C=C(C2CC2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003096792	0	53	0.0	-43.50	388.50	9.29	-34.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2COC(C)(C)C2)CC1	REAL300003096793	0	50	0.0	-41.30	360.13	7.54	-33.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CC3(CCC3)CO2)CC1	REAL300003096794	0	51	0.0	-43.47	367.79	8.85	-34.62
COC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC(F)=C1F	REAL300003096795	0	44	0.0	-58.81	342.30	7.35	-51.46
COC1=CC2=CC=CN=C2C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096796	0	49	0.0	-42.26	365.41	7.89	-34.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(C3=NNC=C3)=C2)CC1	REAL300003096797	0	47	0.0	-45.46	356.41	7.91	-37.55
CC1=C2NN=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=CC=C1	REAL300003096798	0	46	0.0	-40.36	351.79	7.38	-32.98
CC1=CC=CC2=C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)NN=C21	REAL300003096798	1	46	0.0	-40.36	351.79	7.38	-32.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3(CCOCC3)O2)CC1	REAL300003096799	0	52	0.0	-57.10	371.78	7.28	-49.82
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3(CCC3)O2)CC1	REAL300003096800	0	48	0.0	-43.54	345.47	8.38	-35.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C2=CC=C(F)C(F)=C2)C2CC2)CC1	REAL300003096801	0	53	0.0	-40.94	403.25	11.84	-29.10
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC(C)CC2)CC1	REAL300003096802	0	52	0.0	-39.79	356.08	9.35	-30.44
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC2=CC=CC=C21	REAL300003096803	0	52	0.0	-40.78	379.21	11.40	-29.38
CC(C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300003096804	0	46	0.0	-38.26	351.02	9.77	-28.49
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC(CC3=CC=CC=N3)=C2)CC1	REAL300003096805	0	52	0.0	-53.87	399.33	10.62	-43.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(F)F)CC1	REAL300003096806	0	43	0.0	-38.65	327.44	8.28	-30.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC3=C(F)C=C(Cl)C=C23)CC1	REAL300003096807	0	43	0.0	-41.25	351.32	9.02	-32.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)N2C=CC(C3CC3)=N2)CC1	REAL300003096808	0	50	0.0	-34.07	372.71	8.73	-25.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3NCCC(C(C)(C)C)N3N=C2)CC1	REAL300003096809	0	58	0.0	-38.55	406.39	8.15	-30.40
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C2=CC=C(C)C=C2)=NO1	REAL300003096810	0	52	0.0	-37.81	401.34	10.61	-27.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2=CC=C(F)C=C2)C2CC2)CC1	REAL300003096811	0	50	0.0	-43.87	378.39	10.93	-32.94
CC1=CC=CC=C1C1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NO1	REAL300003096812	1	49	0.0	-36.08	375.04	10.19	-25.89
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NOC(C3=CC=C4OCOC4=C3)=C2)CC1	REAL300003096813	1	49	0.0	-39.18	380.94	8.23	-30.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3CCC3)=NO2)CC1	REAL300003096814	1	46	0.0	-37.25	343.26	8.14	-29.11
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC(C)(C2)OCC3)CC1	REAL300003096815	0	48	0.0	-40.77	336.21	6.71	-34.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC4(C)CC(C)(CC(F)(C4)C2)C3)CC1	REAL300003096816	0	60	0.0	-36.75	402.14	10.65	-26.10
CC1=CC(C(F)(F)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CS1	REAL300003096817	1	43	0.0	-36.57	344.23	8.69	-27.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(F)(F)C2=CN(C)N=C2)CC1	REAL300003096818	1	43	0.0	-39.68	335.75	6.74	-32.94
COC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300003096819	1	45	0.0	-47.58	358.14	3.54	-44.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CN3CCOCC3)C=C2)CC1	REAL300003096820	0	56	0.0	-39.99	406.27	6.96	-33.03
CC(CC(=O)[O-])N1CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300003096821	1	61	0.0	-73.26	440.89	10.95	-62.31
COC1=CC([C@@H](C)CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1C	REAL300003096822	0	56	0.0	-42.49	408.56	10.23	-32.26
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(CN3CCOC(C)C3)C=C2)CC1	REAL300003096823	0	59	0.0	-39.85	426.43	7.50	-32.35
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096824	0	56	0.0	-56.38	419.79	10.40	-45.98
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=N1	REAL300003096825	0	56	0.0	-40.43	418.40	10.49	-29.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC3CCCCCCC32)CC1	REAL300003096826	0	56	0.0	-50.10	375.45	10.49	-39.61
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCC3(CCC3)C2)CC1	REAL300003096827	0	53	0.0	-38.01	368.89	10.04	-27.97
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=CC3=C2COC3)CC1	REAL300003096828	0	45	0.0	-40.17	330.99	7.16	-33.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCSC(C)C2)CC1	REAL300003096829	0	47	0.0	-53.30	338.20	8.79	-44.51
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300003096830	0	54	0.0	-44.55	412.15	11.51	-33.04
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NN3CC4(CC4)CC3=C2)CC1	REAL300003096831	0	48	0.0	-37.24	357.83	8.51	-28.73
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=NC=C3)CC2)CC1	REAL300003096832	0	46	0.0	-41.18	343.36	8.10	-33.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)N2C=CC(C3CC3)=N2)CC1	REAL300003096833	0	53	0.0	-48.58	381.64	9.08	-39.50
CCCCC[C@@H](O)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096834	0	52	0.0	-41.88	380.64	7.48	-34.40
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCS(=O)(=O)CC2)CC1	REAL300003096835	0	49	0.0	-50.83	362.54	5.27	-45.56
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N2C=CC=CC2=N1	REAL300003096836	0	46	0.0	-41.54	351.97	9.03	-32.51
COC12CCC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)(CC1)C2	REAL300003096837	0	51	0.0	-43.38	356.68	7.26	-36.12
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC4CC(CC(C4)O2)C3)CC1	REAL300003096838	0	52	0.0	-36.95	352.63	8.32	-28.63
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CS3)CCOCC2)CC1	REAL300003096839	0	51	0.0	-35.24	368.48	7.95	-27.29
COC1CC(CCC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C1	REAL300003096840	0	50	0.0	-39.39	367.02	7.84	-31.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=C(C2)C(C(F)(F)F)=NN3)CC1	REAL300003096841	0	50	0.0	-45.74	382.65	7.78	-37.96
CC(C)CC1=NC=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003096842	0	50	0.0	-35.52	370.79	8.80	-26.72
CC1=CC=C(C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2CC2)C=C1	REAL300003096843	0	53	0.0	-39.55	387.31	11.29	-28.26
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N2C=CC=CC2=N1	REAL300003096844	0	49	0.0	-43.85	373.37	9.80	-34.05
CC1=CC(F)=CC=C1C1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003096845	0	50	0.0	-40.02	367.66	10.35	-29.67
CC1=CC=C(F)C=C1C1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003096846	0	50	0.0	-35.61	371.43	10.37	-25.24
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CC2)CC1	REAL300003096847	0	49	0.0	-45.69	376.45	10.50	-35.19
COC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300003096848	0	49	0.0	-42.41	373.30	7.73	-34.68
CCC1=C(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NO1	REAL300003096849	1	45	0.0	-35.81	335.72	8.02	-27.79
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NNC=C2C2CCC2)CC1	REAL300003096850	0	47	0.0	-37.38	343.37	7.68	-29.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C)CC(C)OC(C)C2)CC1	REAL300003096851	0	53	0.0	-36.99	362.32	7.44	-29.55
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@]23COC[C@H]2C3(F)F)CC1	REAL300003096853	0	42	0.0	-37.82	320.13	5.90	-31.92
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096854	1	46	0.0	-38.13	348.83	9.74	-28.39
CCC1=CC=CC=C1C(F)(F)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096855	1	49	0.0	-37.15	358.51	10.24	-26.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC(C2=CC=CC=C2)N2C=NN=N2)CC1	REAL300003096856	0	51	0.0	-55.16	387.87	9.33	-45.83
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=C3NC=CC=C3N=C2)CC1	REAL300003096857	0	46	0.0	-53.99	350.52	7.13	-46.86
COC1=C2NC=C(CC(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)C2=CC=C1	REAL300003096858	0	51	0.0	-44.47	385.39	8.33	-36.14
COCC(C)(O)CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096859	0	47	0.0	-44.30	343.32	4.45	-39.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(Cl)C=C(F)C=C3N2)CC1	REAL300003096860	0	44	0.0	-38.11	353.41	8.95	-29.16
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)NC2=C1CCCC2	REAL300003096861	0	51	0.0	-38.67	373.18	8.83	-29.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(CC3CCC3)=CN2)CC1	REAL300003096862	0	51	0.0	-38.13	375.13	9.81	-28.32
CC1=C(C)NC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003096863	0	47	0.0	-52.75	360.15	7.51	-45.24
CC1=CNC(C=CC(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=N1	REAL300003096864	0	44	0.0	-52.80	340.43	7.00	-45.80
CCC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CS1	REAL300003096865	0	43	0.0	-37.51	331.19	8.46	-29.05
CCCCN1C=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)N=N1	REAL300003096866	1	48	0.0	-37.78	362.08	7.29	-30.49
CCCC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1C	REAL300003096867	0	49	0.0	-37.24	364.58	8.38	-28.86
CCCC1=NN(C)C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096868	0	49	0.0	-38.52	360.63	7.81	-30.71
CC(CC(=O)[O-])N1CCN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)CC1	REAL300003096869	1	54	0.0	-64.19	369.67	7.41	-56.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3CCCCC3=NNC2=O)CC1	REAL300003096870	0	49	0.0	-40.05	363.82	5.96	-34.09
CC(C)CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NO1	REAL300003096871	1	48	0.0	-35.77	357.45	8.71	-27.06
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C(C3CCOCC3)S2)CC1	REAL300003096872	1	50	0.0	-39.47	379.99	6.62	-32.85
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C(C)CC(=O)[O-])CC3)=CN21	REAL300003096873	1	46	0.0	-65.22	357.34	8.11	-57.11
CC1=CN2CC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CCC2=N1	REAL300003096874	0	50	0.0	-44.96	365.65	8.88	-36.08
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=NNN=C3)CCOCC2)CC1	REAL300003096875	0	53	0.0	-45.42	370.53	4.64	-40.78
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=NNN=C3)CCCC2)CC1	REAL300003096876	0	52	0.0	-44.51	367.59	6.71	-37.80
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=C3COCCC3=C2)CC1	REAL300003096877	0	47	0.0	-39.23	346.66	6.05	-33.18
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096878	0	48	0.0	-41.40	366.32	9.96	-31.44
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=NN1CC(F)(F)F	REAL300003096879	0	46	0.0	-41.10	360.87	8.05	-33.05
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN(C)C3=C(Cl)C=CC=C23)CC1	REAL300003096880	0	47	0.0	-39.60	365.26	9.99	-29.61
CC1=C(C2CC2)ON=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096881	1	46	0.0	-35.39	346.31	8.86	-26.53
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096882	1	49	0.0	-35.34	374.20	10.32	-25.02
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=C(Br)C=CS2)CC1	REAL300003096883	0	41	0.0	-40.86	343.06	9.10	-31.76
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=C(Br)SC=C2)CC1	REAL300003096884	0	41	0.0	-42.40	342.99	9.06	-33.34
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C(F)C=CC3=NNC=C32)CC1	REAL300003096885	0	43	0.0	-45.02	337.25	6.85	-38.17
CCC1=CC=NC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096886	0	45	0.0	-37.33	336.50	8.43	-28.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C23CC(C(F)(F)F)(C2)CO3)CC1	REAL300003096887	0	45	0.0	-50.45	349.09	7.14	-43.31
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C=CC2=CN=CC(F)=C2)CC1	REAL300003096888	0	43	0.0	-54.71	337.41	7.77	-46.94
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CN=CC(N3C=CC=N3)=N2)CC1	REAL300003096889	1	45	0.0	-37.77	348.14	7.42	-30.35
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(F)=CC3=CN=CC=C32)CC1	REAL300003096890	0	45	0.0	-39.35	345.30	8.50	-30.85
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC=C(C3=CN=NN3C)C=C2)CC1	REAL300003096891	0	49	0.0	-44.79	366.11	7.70	-37.09
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC=CC=C2C(C)(C)C)CC1	REAL300003096892	0	51	0.0	-36.50	359.07	9.03	-27.47
CC1=C(F)C=CC=C1C1(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)CC1	REAL300003096893	0	50	0.0	-41.66	366.52	10.29	-31.37
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C3=CC=CS3)CCCC2)CC1	REAL300003096894	0	50	0.0	-34.00	362.95	9.87	-24.13
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C2=CC=CS2)C2CCCCC2)CC1	REAL300003096895	0	56	0.0	-40.43	406.42	11.50	-28.93
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC(=O)C2=CC=C3CCCCC3=C2)CC1	REAL300003096896	0	58	0.0	-40.02	428.43	12.11	-27.91
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(C#N)CC3CC3C2)CC1	REAL300003096897	0	45	0.0	-34.56	330.53	8.19	-26.37
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096898	0	51	0.0	-53.58	366.68	7.84	-45.74
CC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC2=NNN=C21	REAL300003096899	0	45	0.0	-39.78	339.13	5.77	-34.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=NC=C3C=CSC3=C2)CC1	REAL300003096900	1	42	0.0	-36.86	330.40	8.39	-28.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=CC(OC(F)F)=C3O2)CC1	REAL300003096901	1	47	0.0	-38.81	366.97	8.27	-30.54
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2=CC(C(F)(F)F)=NN2C)CC1	REAL300003096902	0	46	0.0	-48.28	365.54	7.44	-40.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CC(C)OC2C)CC1	REAL300003096903	0	50	0.0	-41.37	354.66	7.42	-33.95
CCC1=CN2CCC(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)CC2=N1	REAL300003096904	0	53	0.0	-43.56	385.06	9.55	-34.01
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CC2CCCC3CCCCC23)CC1	REAL300003096905	0	59	0.0	-38.17	401.82	11.43	-26.74
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC(Cl)=C2)CC1	REAL300003096906	1	37	0.0	-51.51	299.52	6.59	-44.92
COC1=C2C(C(=O)N3CC[NH+](C(C)CC(=O)[O-])CC3)=CSC2=CC=C1	REAL300003096907	0	47	0.0	-38.45	361.68	9.87	-28.58
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3C=CC=CC3=NS2)CC1	REAL300003096908	1	42	0.0	-38.28	331.40	8.16	-30.12
CC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)SC(F)=C1	REAL300003096909	1	40	0.0	-37.39	316.69	7.79	-29.60
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2[C@H](C(F)F)C2(C)C)CC1	REAL300003096910	0	46	0.0	-38.48	336.36	8.64	-29.84
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3N=NN(C)C3=CC=C2)CC1	REAL300003096911	0	45	0.0	-46.58	343.03	6.51	-40.07
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC(C3CC3)=CC=N2)CC1	REAL300003096912	0	46	0.0	-36.58	343.42	9.15	-27.43
COC1=NC=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C(C)=N1	REAL300003096913	1	45	0.0	-41.00	340.38	3.24	-37.76
CC(CC1=CC=NC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096914	0	48	0.0	-55.31	357.75	8.32	-46.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CC(N3C=CN=C3)C2)CC1	REAL300003096915	0	47	0.0	-43.56	345.73	9.10	-34.46
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCCN3C=NN=C23)CC1	REAL300003096916	0	46	0.0	-50.39	334.05	9.02	-41.37
CC1=CC=CC(C(O)C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096917	0	47	0.0	-40.52	346.50	7.36	-33.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(CC3=CC=C(O)C=C3)CC2)CC1	REAL300003096918	0	51	0.0	-43.51	385.30	7.86	-35.65
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(C)(C)CC2=NNN=C2)CC1	REAL300003096919	0	48	0.0	-40.20	341.22	5.46	-34.74
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096920	0	58	0.0	-40.87	428.74	7.84	-33.03
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=C(CCCC3=O)N2)CC1	REAL300003096921	0	47	0.0	-45.97	350.06	7.77	-38.20
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=COC(CN3C=CC=N3)=C2)CC1	REAL300003096922	1	47	0.0	-54.93	366.73	7.81	-47.12
COC1=CC=C(Cl)C(F)=C1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096923	1	44	0.0	-38.46	355.20	8.01	-30.45
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)CC2=CC=CC=C2)CC1	REAL300003096924	0	47	0.0	-43.23	351.21	7.46	-35.77
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3NCCCN3N=C2)CC1	REAL300003096925	0	46	0.0	-40.26	336.79	5.45	-34.81
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CNC(C3=CC=CC=C3)=C2)CC1	REAL300003096926	0	48	0.0	-38.11	360.99	9.40	-28.71
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2(O)CCCC(C)CC2)CC1	REAL300003096927	0	53	0.0	-41.97	356.65	6.27	-35.70
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C(O)C2CCC(C(C)(C)C)CC2)CC1	REAL300003096928	0	62	0.0	-40.60	403.25	9.61	-30.99
CC(CC(=O)[O-])[NH+]1CCN(C(=O)CCC(=O)C2=CC=C(Cl)C=C2)CC1	REAL300003096929	0	48	0.0	-52.17	385.52	10.17	-42.00
CC(C)S(=O)(=O)NC1=CC(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=CC=C1	REAL300003096930	0	54	0.0	-59.47	415.43	6.25	-53.22
CCOC1=C(C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)C=CS1	REAL300003096931	1	44	0.0	-39.73	344.83	7.40	-32.33
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3NC=CC3=CC(F)=C2)CC1	REAL300003096932	0	44	0.0	-38.25	337.36	8.07	-30.18
CCC1=NNC(CC)=C1CC(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096933	0	52	0.0	-45.91	385.67	7.96	-37.95
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=C3N=C(N(C)C)OC3=CC=C2)CC1	REAL300003096934	0	50	0.0	-44.49	381.20	6.51	-37.98
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H](O)CC2=CC3=CC=CC=C3C=C2)CC1	REAL300003096935	0	53	0.0	-43.94	397.40	9.69	-34.25
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C=C2)CC1	REAL300003096936	0	47	0.0	-40.48	368.26	10.80	-29.68
CC(C)C[N@@H+]1CCCC(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)C1	REAL300003096937	1	57	0.0	-68.19	391.95	8.04	-60.15
CC(C)C[N@H+]1CCCC(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)C1	REAL300003096937	1	57	0.0	-68.84	399.71	8.50	-60.34
CC[N@@H+]1CCCC(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)C1	REAL300003096938	1	51	0.0	-67.84	362.14	7.17	-60.67
CC[N@H+]1CCCC(C(=O)N2CCN(C(C)CC(=O)[O-])CC2)C1	REAL300003096938	1	51	0.0	-61.46	352.56	7.23	-54.23
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)CC1	REAL300003096939	0	47	0.0	-39.74	351.09	10.27	-29.47
CCC(=CC1=CC=CC=C1)C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096940	0	50	0.0	-50.42	371.93	10.52	-39.90
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(Br)=C2)CC1	REAL300003096941	0	47	0.0	-40.16	372.93	10.88	-29.28
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2CCC3=NN=CN3C2)CC1	REAL300003096942	0	46	0.0	-49.26	334.55	8.83	-40.43
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)CC1	REAL300003096943	0	47	0.0	-39.74	351.09	10.27	-29.47
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2=CC3=CC=C(O)C=C3N2)CC1	REAL300003096945	0	45	0.0	-39.76	340.85	5.55	-34.21
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2C[C@@H]2C2=CC=CC=C2)CC1	REAL300003096946	0	47	0.0	-52.20	354.30	10.32	-41.88
CC(CC(=O)[O-])[NH+]1CCN(C(=O)C2C(C)C2C2=CC=CC=C2)CC1	REAL300003096947	0	50	0.0	-40.73	358.60	10.57	-30.16
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CC[NH+](C(C)CC(=O)[O-])CC1	REAL300003096948	0	53	0.0	-40.57	389.12	11.50	-29.07
CC(CC(=O)[O-])N1CCN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)CC1	REAL300003096949	1	57	0.0	-74.12	375.70	7.25	-66.87
CC(CC(=O)[O-])N1CCN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)CC1	REAL300003096949	1	57	0.0	-73.62	385.33	7.46	-66.16
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2F)CC1	REAL300003096950	0	47	0.0	-45.47	357.16	10.30	-35.17
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(O)=C2)CC1	REAL300003096951	0	48	0.0	-44.31	362.66	7.41	-36.90
CC(CC(=O)[O-])N1CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300003096952	0	50	0.0	-59.15	352.92	8.14	-51.01
CC(CC(=O)[O-])N1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300003096952	1	50	0.0	-62.88	352.87	8.31	-54.57
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@H]2C[C@H](N3C=NN=C3)C2)CC1	REAL300003096953	0	46	0.0	-47.11	340.88	9.79	-37.32
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CC[NH+](C(C)CC(=O)[O-])CC2)=C1	REAL300003096954	0	51	0.0	-44.29	381.14	9.57	-34.72
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300003096955	0	47	0.0	-41.46	383.56	11.24	-30.22
CC(CC(=O)[O-])[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2=CC=C(Br)C=C2)CC1	REAL300003096956	0	47	0.0	-40.44	372.83	10.90	-29.54
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300003098185	0	58	0.0	-81.49	415.53	9.43	-72.06
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300003098884	0	55	0.0	-66.24	391.88	8.45	-57.79
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300003098884	1	55	0.0	-58.09	398.50	8.86	-49.23
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300003099729	1	55	0.0	-69.19	408.40	8.96	-60.23
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300003099729	1	55	0.0	-61.64	415.89	9.45	-52.19
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300003099813	0	52	0.0	-75.10	364.23	7.12	-67.98
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300003099843	0	49	0.0	-62.65	345.66	6.13	-56.52
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300003099843	1	49	0.0	-68.54	342.81	6.17	-62.37
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)CN12	REAL300003099849	1	50	0.0	-66.89	362.18	6.87	-60.02
CC(C)(C(=O)[O-])N1CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300003099850	0	58	0.0	-70.89	410.37	9.70	-61.19
CC1=NC(C[NH+]2CCC(C(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)CC2)=CS1	REAL300003099928	1	57	0.0	-77.20	423.31	7.55	-69.65
CC(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)N1CC[NH+](C)CC1	REAL300003099929	1	53	0.0	-65.55	369.32	4.11	-61.44
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300003100015	0	61	0.0	-69.49	449.38	9.13	-60.36
CC(C)(C(=O)[O-])N1CCN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300003100028	0	61	0.0	-69.69	420.36	9.45	-60.24
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300003100086	0	43	0.0	-65.01	324.74	7.50	-57.51
C[NH+](C)CC1(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CCCCC1	REAL300003100119	0	57	0.0	-73.64	371.70	7.03	-66.61
C[N@H+](CCC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)C1CCCCC1	REAL300003100124	0	57	0.0	-75.25	393.75	7.98	-67.27
C[N@@H+](CCC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)C1CCCCC1	REAL300003100124	1	57	0.0	-75.27	393.74	7.98	-67.29
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300003100144	1	58	0.0	-73.04	411.11	9.20	-63.84
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300003100144	1	58	0.0	-71.73	407.66	9.08	-62.65
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300003100145	1	55	0.0	-70.06	398.07	8.50	-61.56
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300003100145	1	55	0.0	-62.61	405.56	9.00	-53.61
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300003100200	0	51	0.0	-76.55	384.31	6.64	-69.91
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300003100224	0	58	0.0	-57.16	382.53	7.78	-49.38
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300003100224	1	58	0.0	-63.68	390.54	8.09	-55.59
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300003100225	0	59	0.0	-79.87	406.63	6.50	-73.37
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100256	1	49	0.0	-62.33	366.29	7.27	-55.06
CC(C)(C(=O)[O-])N1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1	REAL300003100257	1	55	0.0	-78.35	393.59	5.96	-72.39
CC[N@H+](CC1=CC=C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C=C1)C(C)C	REAL300003100259	0	60	0.0	-77.20	418.18	8.96	-68.24
CC[N@@H+](CC1=CC=C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C=C1)C(C)C	REAL300003100259	1	60	0.0	-77.23	412.91	8.71	-68.52
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300003100293	0	55	0.0	-66.81	393.33	8.45	-58.36
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300003100293	1	55	0.0	-74.08	396.87	8.65	-65.43
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300003100294	0	56	0.0	-83.40	398.54	8.12	-75.28
C[NH+]1CCN(C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300003100322	1	60	0.0	-72.37	428.50	7.39	-64.98
CC(C)(C(=O)[O-])N1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	REAL300003100323	0	59	0.0	-74.09	392.08	6.24	-67.85
CCC(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)[NH+](CC)CC	REAL300003100327	0	53	0.0	-68.02	356.39	6.76	-61.26
CC(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)[N@H+](C)CC1=CC=CC=C1	REAL300003100329	0	54	0.0	-70.26	387.31	8.25	-62.01
CC(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300003100329	1	54	0.0	-70.22	388.08	8.28	-61.94
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300003100339	0	61	0.0	-78.29	438.79	10.32	-67.97
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300003100339	1	61	0.0	-73.48	429.38	10.18	-63.30
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C=N1	REAL300003100364	0	50	0.0	-69.13	367.51	5.51	-63.62
CCC[NH+](CCC)CCCC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100373	0	59	0.0	-74.89	413.44	8.32	-66.57
CC(C)(C(=O)[O-])N1CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CC1	REAL300003100374	0	59	0.0	-67.04	419.10	6.13	-60.91
CC[N@H+](C)C(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)C1=CC=CC=C1	REAL300003100375	0	54	0.0	-64.25	383.53	8.25	-56.00
CC[N@@H+](C)C(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)C1=CC=CC=C1	REAL300003100375	1	54	0.0	-64.93	383.48	8.26	-56.67
CC[NH+](CC)C(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)C1=CC=CC=C1	REAL300003100379	0	57	0.0	-56.79	390.46	8.60	-48.19
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100387	1	49	0.0	-66.28	361.10	7.08	-59.20
C[NH+](C)C(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300003100391	1	51	0.0	-69.48	380.22	8.07	-61.41
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300003100404	0	55	0.0	-81.63	398.54	8.68	-72.95
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300003100411	0	58	0.0	-67.72	415.33	9.40	-58.32
CCN1CCC([NH+]2CCC(C(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)CC2)CC1	REAL300003100417	0	66	0.0	-77.66	449.62	7.19	-70.47
CC(C)(C(=O)[O-])N1CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300003100437	1	59	0.0	-75.39	421.28	8.73	-66.66
CC(C)(C(=O)[O-])N1CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300003100437	1	59	0.0	-82.30	429.63	8.92	-73.38
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300003100449	0	58	0.0	-66.42	412.60	9.52	-56.90
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300003100449	1	58	0.0	-66.46	411.52	9.41	-57.05
CC1=C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C=NN1C1=CC=[NH+]C=C1	REAL300003100451	1	49	0.0	-74.03	369.42	5.87	-68.16
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300003100459	0	58	0.0	-82.02	414.22	9.32	-72.70
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1	REAL300003100472	1	51	0.0	-73.88	376.74	6.79	-67.09
C[NH+](C)CCC1=CC=C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300003100473	0	54	0.0	-83.28	395.46	8.35	-74.93
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100485	1	47	0.0	-64.16	347.21	4.93	-59.23
CC(C)(C(=O)[O-])N1CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300003100486	1	56	0.0	-75.69	397.97	7.96	-67.73
CC(C)(C(=O)[O-])N1CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300003100486	1	56	0.0	-81.95	404.95	8.14	-73.81
CC(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)[NH+]1CCSCC1	REAL300003100543	1	49	0.0	-60.30	352.86	6.30	-54.00
C[N@H+](CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)CC(C)(C)C	REAL300003100549	0	53	0.0	-70.82	363.18	6.75	-64.07
C[N@@H+](CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)CC(C)(C)C	REAL300003100549	1	53	0.0	-70.62	365.13	6.89	-63.73
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100551	0	54	0.0	-74.69	394.48	8.78	-65.91
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100551	1	54	0.0	-74.69	394.48	8.78	-65.91
COCCOCC[N@H+](C)CCC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100552	0	58	0.0	-74.84	423.52	5.01	-69.83
COCCOCC[N@@H+](C)CCC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100552	1	58	0.0	-76.06	423.51	5.02	-71.04
C[N@@H+]1CCCC(O)(CC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	REAL300003100556	0	52	0.0	-72.59	362.81	4.82	-67.77
C[N@H+]1CCCC(O)(CC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	REAL300003100556	1	52	0.0	-67.67	365.54	4.73	-62.94
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC1	REAL300003100573	1	57	0.0	-73.13	399.68	7.38	-65.75
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC1	REAL300003100573	1	57	0.0	-58.15	405.96	7.60	-50.55
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC1	REAL300003100574	1	57	0.0	-70.77	399.62	7.36	-63.41
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC1	REAL300003100574	1	57	0.0	-72.17	396.07	7.15	-65.02
CCCCCC[N@H+](C)CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100576	0	56	0.0	-72.28	399.08	8.10	-64.18
CCCCCC[N@@H+](C)CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100576	1	56	0.0	-72.34	399.08	8.10	-64.24
CC(C)(C(=O)[O-])N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300003100586	0	49	0.0	-66.00	333.53	5.68	-60.32
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300003100594	1	43	0.0	-67.82	324.95	7.51	-60.31
C[N@H+](CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)C1CCSC1	REAL300003100612	0	49	0.0	-75.73	354.84	6.57	-69.16
C[N@@H+](CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)C1CCSC1	REAL300003100612	1	49	0.0	-75.64	354.63	6.59	-69.05
CC(C)[NH+]1CCN(CCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1	REAL300003100627	0	59	0.0	-73.36	410.70	5.58	-67.78
CC(C)N1CC[NH+](CCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1	REAL300003100627	1	59	0.0	-64.26	407.17	5.35	-58.91
CC(C)[NH+]1CCN(CCCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1	REAL300003100628	0	62	0.0	-71.77	432.18	6.36	-65.41
CC(C)N1CC[NH+](CCCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1	REAL300003100628	1	62	0.0	-75.57	431.60	6.35	-69.22
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCCC3CCC[N@@H+]32)CC1	REAL300003100629	0	52	0.0	-63.06	360.13	7.06	-56.00
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCCC3CCC[N@H+]32)CC1	REAL300003100629	1	52	0.0	-66.96	348.78	6.48	-60.48
C[NH+](C)CCN1C=C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C=N1	REAL300003100631	0	51	0.0	-73.88	376.37	5.47	-68.41
CC(C)(C(=O)[O-])N1CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300003100640	0	60	0.0	-68.65	428.11	7.72	-60.93
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300003100643	0	57	0.0	-77.53	411.21	7.69	-69.84
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300003100643	1	57	0.0	-77.02	409.93	7.63	-69.39
CC(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003100648	0	55	0.0	-69.89	392.16	8.67	-61.22
CC(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003100648	1	55	0.0	-69.89	391.98	8.72	-61.17
CCC(CC)C(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300003100665	1	61	0.0	-56.08	398.49	6.64	-49.44
CC(C)(C(=O)[O-])N1CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300003100672	0	58	0.0	-71.74	418.75	9.49	-62.25
CC(C)(C(=O)[O-])N1CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300003100672	1	58	0.0	-78.61	418.29	9.55	-69.06
C[NH+](C)CCN1C=CC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)=N1	REAL300003100687	0	51	0.0	-71.99	376.82	6.13	-65.86
C[NH+](C)CCN1N=CC=C1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100688	0	51	0.0	-65.75	370.98	5.54	-60.21
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100694	1	52	0.0	-67.20	381.31	7.60	-59.60
CC[C@@H]1[C@@H](C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC[N@@H+]1C	REAL300003100697	0	51	0.0	-69.01	346.24	5.74	-63.27
CC[C@@H]1[C@@H](C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC[N@H+]1C	REAL300003100697	1	51	0.0	-71.81	352.37	6.32	-65.49
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)=NN1	REAL300003100700	1	52	0.0	-71.75	373.48	5.23	-66.52
C[N@H+]1CCCC1C1=CC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)=NN1	REAL300003100700	1	52	0.0	-78.11	370.74	5.13	-72.98
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100701	0	47	0.0	-66.33	340.57	6.12	-60.21
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100701	1	47	0.0	-57.97	342.24	6.30	-51.67
CC1C[N@H+](C)CC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)O1	REAL300003100709	1	49	0.0	-81.52	342.68	5.30	-76.22
CC1C[N@@H+](C)CC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)O1	REAL300003100709	1	49	0.0	-83.76	342.10	4.88	-78.88
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300003100715	0	58	0.0	-68.34	420.86	9.37	-58.97
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300003100715	1	58	0.0	-77.25	413.26	9.39	-67.86
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC1	REAL300003100716	1	54	0.0	-54.94	391.17	7.06	-47.88
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC1	REAL300003100716	1	54	0.0	-72.53	394.14	7.04	-65.49
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100721	0	52	0.0	-75.20	365.94	4.90	-70.30
CC(C)(C(=O)[O-])N1CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC1	REAL300003100722	0	59	0.0	-79.25	425.88	7.16	-72.09
CC1CC[NH+](CC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1	REAL300003100732	0	51	0.0	-60.85	358.12	6.81	-54.04
CC[N@@H+]1CCOC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	REAL300003100747	1	49	0.0	-74.71	344.38	5.08	-69.63
CC[N@H+]1CCOC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	REAL300003100747	1	49	0.0	-72.86	344.81	5.08	-67.78
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC1	REAL300003100787	0	58	0.0	-62.63	399.27	8.19	-54.44
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC1	REAL300003100787	1	58	0.0	-76.44	399.63	8.20	-68.24
C[N@@H+]1CCCC1CCC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100794	0	51	0.0	-69.72	361.11	6.75	-62.97
C[N@H+]1CCCC1CCC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100794	1	51	0.0	-76.73	359.11	6.73	-70.00
CC(C)(C(=O)[O-])N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1	REAL300003100807	0	52	0.0	-73.95	343.84	6.02	-67.93
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100811	0	49	0.0	-66.76	338.20	1.87	-64.89
C[N@H+]1CC(O)CC1(C)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100811	1	49	0.0	-59.01	330.71	1.28	-57.73
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC3CCCC[N@@H+]32)CC1	REAL300003100812	0	52	0.0	-66.57	355.06	6.81	-59.76
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC3CCCC[N@H+]32)CC1	REAL300003100812	1	52	0.0	-65.42	359.49	7.10	-58.32
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100820	0	55	0.0	-71.89	369.52	4.90	-66.99
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C=N1	REAL300003100825	0	58	0.0	-76.91	404.30	6.94	-69.97
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C=N1	REAL300003100825	1	58	0.0	-79.10	406.19	6.91	-72.19
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)=C2)CC1	REAL300003100830	0	60	0.0	-76.62	431.56	6.93	-69.69
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)C=C2)CC1	REAL300003100831	0	60	0.0	-69.47	431.50	6.78	-62.69
CN1CC[NH+](CC2=CC=C(C(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)C=C2)CC1	REAL300003100831	1	60	0.0	-82.94	431.06	6.81	-76.13
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300003100832	0	61	0.0	-68.08	432.85	8.33	-59.75
CC(C)[NH+]1CCC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1	REAL300003100840	0	54	0.0	-74.82	370.02	6.87	-67.95
CC(C)(C(=O)[O-])N1CCN(C(=O)C23CC[N@H+](C2)CCC3)CC1	REAL300003100927	0	49	0.0	-64.43	328.01	5.09	-59.34
CC(C)(C(=O)[O-])N1CCN(C(=O)C23CC[N@@H+](C2)CCC3)CC1	REAL300003100927	1	49	0.0	-75.19	328.98	5.19	-70.00
CC1CCC(C)[NH+]1CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003100980	0	51	0.0	-57.25	352.38	6.34	-50.91
C[NH+](C)CC1=CC=CC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)=C1	REAL300003100981	0	51	0.0	-77.22	373.73	7.53	-69.69
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300003100982	0	58	0.0	-63.95	415.01	9.39	-54.56
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300003100982	1	58	0.0	-74.73	406.85	9.32	-65.41
C#CC[NH+]1CCC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1	REAL300003101053	0	50	0.0	-80.01	364.52	7.11	-72.90
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003101055	0	54	0.0	-67.40	363.88	6.85	-60.55
CCC[N@H+]1CCCCC1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003101055	1	54	0.0	-68.12	367.27	6.96	-61.16
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003101056	0	51	0.0	-62.97	370.42	7.53	-55.44
CC[NH+]1CCN(CCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1	REAL300003101058	0	56	0.0	-74.95	393.45	5.03	-69.92
CCN1CC[NH+](CCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1	REAL300003101058	1	56	0.0	-64.36	393.93	5.04	-59.32
CC(C)C(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)[NH+]1CCCCC1	REAL300003101060	0	57	0.0	-56.12	382.73	7.73	-48.39
C[NH+](C)C(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)C1=CC=CC=C1	REAL300003101061	1	51	0.0	-57.67	366.46	7.55	-50.12
CC(C)(C(=O)[O-])N1CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300003101065	0	56	0.0	-72.79	406.62	5.74	-67.05
CC(C)(C(=O)[O-])N1CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300003101065	1	56	0.0	-72.29	406.42	5.71	-66.58
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003101071	1	52	0.0	-66.70	380.79	7.53	-59.17
C[NH+](C)CC1=C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)OC2=CC=CC=C21	REAL300003101072	0	54	0.0	-63.62	397.73	8.26	-55.36
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC1	REAL300003101078	0	55	0.0	-66.93	377.53	7.72	-59.21
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCC[N@H+]2C2CCCC2)CC1	REAL300003101078	1	55	0.0	-59.61	378.22	7.58	-52.03
CC(C)(C(=O)[O-])N1CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)CC1	REAL300003101107	1	56	0.0	-64.74	404.44	9.09	-55.65
CC(C)C(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)[NH+]1CC(C)OC(C)C1	REAL300003101108	1	61	0.0	-66.40	413.25	6.82	-59.58
CC(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)[NH+]1CCCCCC1	REAL300003101109	0	54	0.0	-65.51	359.97	6.70	-58.81
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)=CC=C1N2	REAL300003101147	1	56	0.0	-73.59	407.16	7.78	-65.81
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)=CC=C1N2	REAL300003101147	1	56	0.0	-79.40	408.82	7.92	-71.48
CC[NH+](CC)CC1=CC=C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)O1	REAL300003101202	0	54	0.0	-63.30	391.44	7.45	-55.85
CC(C)(C(=O)[O-])N1CCN(C(=O)CCCC[NH+]2CCCC2)CC1	REAL300003101203	0	54	0.0	-75.26	385.95	7.66	-67.60
C[N@H+](CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300003101206	1	51	0.0	-75.40	372.01	7.93	-67.47
C[N@@H+](CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300003101206	1	51	0.0	-75.37	372.00	7.93	-67.44
C[NH+](C)CC1=CC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)=NO1	REAL300003101259	1	47	0.0	-80.11	350.25	5.58	-74.53
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003101263	0	58	0.0	-74.02	415.27	9.45	-64.57
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003101263	1	58	0.0	-74.80	413.83	9.47	-65.33
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003101280	0	51	0.0	-58.38	348.77	6.13	-52.25
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003101280	1	51	0.0	-65.35	353.51	6.23	-59.12
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300003101287	0	59	0.0	-71.31	436.68	8.83	-62.48
C[NH+]1CCC(OCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1	REAL300003101307	0	52	0.0	-69.97	375.24	6.50	-63.47
CC(C)(C(=O)[O-])N1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC1	REAL300003101312	0	55	0.0	-79.35	397.18	7.85	-71.50
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300003101357	0	57	0.0	-72.08	403.96	7.23	-64.85
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)[C@@H](C(F)(F)F)C1	REAL300003101357	1	57	0.0	-70.28	404.82	7.35	-62.93
CCC[N@@H+]1CCCC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	REAL300003101507	0	54	0.0	-64.65	369.08	7.30	-57.35
CCC[N@H+]1CCCC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	REAL300003101507	1	54	0.0	-62.62	377.83	7.23	-55.39
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003101540	0	54	0.0	-68.26	373.17	6.96	-61.30
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	REAL300003101540	1	54	0.0	-60.61	365.01	7.36	-53.25
CC(C)(C(=O)[O-])N1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1	REAL300003101541	0	52	0.0	-62.31	368.95	3.50	-58.81
CC(C)(C(=O)[O-])N1CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC1	REAL300003101643	0	59	0.0	-64.47	416.36	9.37	-55.10
CC(C)(C(=O)[O-])N1CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC1	REAL300003101643	1	59	0.0	-78.30	419.92	9.50	-68.80
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC1	REAL300003101685	1	58	0.0	-70.08	411.03	9.20	-60.88
CC(C)(C(=O)[O-])N1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC1	REAL300003101685	1	58	0.0	-67.35	418.12	9.48	-57.87
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	REAL300003101778	0	54	0.0	-57.37	364.66	7.11	-50.26
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	REAL300003101778	1	54	0.0	-71.20	374.08	7.07	-64.13
C[N@@H+]1CC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300003101779	0	48	0.0	-79.02	346.01	5.59	-73.43
C[N@H+]1CC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C(C(F)(F)F)C1	REAL300003101779	1	48	0.0	-76.83	354.87	5.87	-70.96
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)N1	REAL300003101803	1	49	0.0	-58.55	365.56	5.66	-52.89
C[NH+](C)CCC1=CC=CC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)=C1	REAL300003102303	0	54	0.0	-77.54	396.22	8.36	-69.18
C[NH+](C)CCOC1=CC=C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C=C1	REAL300003102311	0	55	0.0	-80.28	402.82	7.30	-72.98
CC(C)(C(=O)[O-])N1CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300003102412	0	61	0.0	-75.53	435.03	10.34	-65.19
CC1CN(CC2=CC=C(C(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)C=C2)CCO1	REAL300003102414	0	59	0.0	-72.94	427.07	7.72	-65.22
CC1C[N@H+](CC2=CC=C(C(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)C=C2)CCO1	REAL300003102414	1	59	0.0	-83.42	427.12	7.72	-75.70
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)C=C2)CCO1	REAL300003102414	1	59	0.0	-83.42	427.12	7.72	-75.70
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1	REAL300003102460	0	54	0.0	-67.60	364.11	6.78	-60.82
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C(C)(C)C(=O)[O-])CC3)=CN21	REAL300003102464	0	46	0.0	-69.61	351.56	7.48	-62.13
CC(C)C[N@@H+]1CCCC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	REAL300003102528	0	57	0.0	-64.68	386.53	7.98	-56.70
CC(C)C[N@H+]1CCCC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	REAL300003102528	1	57	0.0	-65.58	386.91	8.02	-57.56
CC[N@@H+]1CCCC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	REAL300003102529	0	51	0.0	-72.31	357.07	6.53	-65.78
CC[N@H+]1CCCC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	REAL300003102529	1	51	0.0	-68.14	349.00	6.67	-61.47
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)O1	REAL300003102535	1	48	0.0	-67.57	357.00	6.21	-61.36
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	REAL300003102540	0	57	0.0	-82.29	379.07	6.84	-75.45
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1	REAL300003102540	1	57	0.0	-69.40	370.53	6.51	-62.89
CC(C)(C(=O)[O-])N1CCN(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC1	REAL300003102543	1	50	0.0	-68.65	346.07	7.24	-61.41
CC1=CC=C2OC(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CC2=C1	REAL300003102622	1	46	0.0	-50.92	365.98	8.60	-42.32
CS(=O)(=O)C1(CNC(=O)CN2CCCC(C(=O)[O-])C2)CCCCC1	REAL300003102776	0	52	0.0	-53.32	381.42	5.32	-48.00
CS(=O)(=O)C1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300003102776	1	52	0.0	-49.14	375.22	5.30	-43.84
CS(=O)(=O)C1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300003102776	1	52	0.0	-53.32	381.42	5.32	-48.00
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC[C@@H]1C[C@H](C2=CC=CC=C2)CO1	REAL300003102906	1	51	0.0	-48.38	384.26	8.17	-40.21
COCC1=CSC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003103102	0	44	0.0	-46.85	356.03	6.22	-40.63
COCC1=CSC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003103102	1	44	0.0	-48.53	362.23	6.24	-42.29
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(Cl)C(Cl)=C2)C1	REAL300003103222	0	40	0.0	-51.23	348.62	8.39	-42.84
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(Cl)C(Cl)=C2)C1	REAL300003103222	1	40	0.0	-48.20	342.41	8.37	-39.83
O=C([O-])C1CCC[N@H+](CC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	REAL300003103420	0	45	0.0	-46.03	338.69	5.85	-40.18
O=C([O-])C1CCC[N@@H+](CC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1	REAL300003103420	1	45	0.0	-47.77	339.72	6.27	-41.50
CN1C=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300003103547	0	50	0.0	-52.13	386.35	9.95	-42.18
CN1C=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300003103547	1	50	0.0	-49.20	384.44	9.50	-39.70
CN1N=CC(C2CC2)=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003103663	0	47	0.0	-51.15	367.55	7.03	-44.12
CN1N=CC(C2CC2)=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003103663	1	47	0.0	-51.85	367.43	7.04	-44.81
CC1(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1(F)F	REAL300003103853	0	43	0.0	-50.30	338.04	7.21	-43.09
CC1(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1(F)F	REAL300003103853	1	43	0.0	-51.08	336.78	7.16	-43.92
O=C([O-])C1CCC[N@H+](CC(=O)NC2COC3=CC(F)=CC=C3C2)C1	REAL300003103957	0	45	0.0	-55.00	348.40	7.47	-47.53
O=C([O-])C1CCC[N@@H+](CC(=O)NC2COC3=CC(F)=CC=C3C2)C1	REAL300003103957	1	45	0.0	-54.55	353.90	7.45	-47.10
CCC1(CC)CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003104047	0	52	0.0	-45.51	359.95	9.79	-35.72
CCC1(CC)CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003104047	1	52	0.0	-42.43	352.51	9.34	-33.09
C[C@@H]1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCN1S(C)(=O)=O	REAL300003104226	0	48	0.0	-54.33	358.37	4.62	-49.71
C[C@@H]1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCN1S(C)(=O)=O	REAL300003104226	1	48	0.0	-55.10	352.94	4.77	-50.33
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(N3C=CC=N3)C2)C1	REAL300003104342	0	47	0.0	-49.35	346.80	7.72	-41.63
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(N3C=CC=N3)C2)C1	REAL300003104342	1	47	0.0	-53.59	354.25	8.18	-45.41
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(CCF)C2)C1	REAL300003104412	0	46	0.0	-44.67	332.82	8.42	-36.25
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(CCF)C2)C1	REAL300003104412	1	46	0.0	-47.86	339.44	8.89	-38.97
COCCCC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003104503	0	53	0.0	-47.23	388.76	8.60	-38.63
COCCCC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003104503	1	53	0.0	-48.08	389.14	8.61	-39.47
COC1=CC=CC(C2(C)CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)=C1	REAL300003104676	0	54	0.0	-49.31	402.73	9.88	-39.43
COC1=CC=CC(C2(C)CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)=C1	REAL300003104676	1	54	0.0	-45.92	396.77	9.49	-36.43
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC2C2=CC(F)=CC(F)=C2)C1	REAL300003104795	0	48	0.0	-51.47	370.06	8.58	-42.89
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC2C2=CC(F)=CC(F)=C2)C1	REAL300003104795	1	48	0.0	-52.61	363.29	8.53	-44.08
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC2C2=CC=CC(F)=C2)C1	REAL300003104954	0	48	0.0	-45.49	354.92	8.01	-37.48
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC2C2=CC=CC(F)=C2)C1	REAL300003104954	1	48	0.0	-53.06	356.37	8.47	-44.59
CC1(C)COC(C2=CC=CC(Cl)=C2)CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003105052	0	54	0.0	-45.84	408.36	10.31	-35.53
CC1(C)COC(C2=CC=CC(Cl)=C2)CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003105052	1	54	0.0	-50.00	415.81	10.75	-39.25
CC1(C)COC(C2=CC=CC(F)=C2)CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003105143	0	54	0.0	-46.64	398.03	9.87	-36.77
CC1(C)COC(C2=CC=CC(F)=C2)CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003105143	1	54	0.0	-50.95	405.49	10.31	-40.64
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3COCCC3=C2)C1	REAL300003105234	0	45	0.0	-51.14	338.49	7.40	-43.74
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3COCCC3=C2)C1	REAL300003105234	1	45	0.0	-51.16	343.68	7.40	-43.76
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3CCCC=CC3=C2)C1	REAL300003105346	0	48	0.0	-49.66	355.88	10.32	-39.34
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3CCCC=CC3=C2)C1	REAL300003105346	1	48	0.0	-49.61	361.38	10.29	-39.32
CC1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC(Br)=CC=C21	REAL300003105452	0	47	0.0	-42.00	366.74	10.84	-31.16
CC1(C)CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC(Br)=CC=C21	REAL300003105452	1	47	0.0	-42.59	365.58	10.39	-32.20
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OC3=CC=CC(F)=C3)CC2)C1	REAL300003105564	0	51	0.0	-48.89	379.85	9.50	-39.39
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OC3=CC=CC(F)=C3)CC2)C1	REAL300003105564	1	51	0.0	-49.68	387.33	9.98	-39.70
COCCC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003105657	0	50	0.0	-47.80	367.26	7.82	-39.98
COCCC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003105657	1	50	0.0	-48.80	367.71	7.85	-40.95
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C3=NC=CN=N3)CC2)C1	REAL300003105887	0	46	0.0	-53.95	345.86	7.02	-46.93
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C3=NC=CN=N3)CC2)C1	REAL300003105887	1	46	0.0	-54.70	352.04	6.86	-47.84
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OCC3=CC=C(F)C=C3)CC2)C1	REAL300003106011	0	54	0.0	-47.58	407.69	10.13	-37.45
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OCC3=CC=C(F)C=C3)CC2)C1	REAL300003106011	1	54	0.0	-50.77	415.15	10.59	-40.18
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C3=CC=C(F)C(F)=C3)C2)C1	REAL300003106136	0	50	0.0	-49.03	377.03	10.58	-38.45
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C3=CC=C(F)C(F)=C3)C2)C1	REAL300003106136	1	50	0.0	-51.76	383.67	11.05	-40.71
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003106380	0	51	0.0	-57.18	399.30	8.19	-48.99
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003106380	1	51	0.0	-64.76	394.28	8.27	-56.49
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C3CCCCC3)=C2)C1	REAL300003106507	0	53	0.0	-48.60	386.58	11.11	-37.49
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C3CCCCC3)=C2)C1	REAL300003106507	1	53	0.0	-48.78	392.09	11.06	-37.72
CSC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Br	REAL300003106633	0	41	0.0	-51.98	349.35	8.87	-43.11
CSC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Br	REAL300003106633	1	41	0.0	-55.18	344.13	8.88	-46.30
CCC(C)C1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003106732	0	49	0.0	-48.75	368.60	9.88	-38.87
CCC(C)C1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003106732	1	49	0.0	-49.21	363.41	9.88	-39.33
O=C([O-])C1CCC[N@H+](CC(=O)N2C3CCC2CC2(CC2)C3)C1	REAL300003106812	0	48	0.0	-42.31	338.09	9.29	-33.02
O=C([O-])C1CCC[N@@H+](CC(=O)N2C3CCC2CC2(CC2)C3)C1	REAL300003106812	1	48	0.0	-47.51	339.16	9.74	-37.77
O=C([O-])C1CCC[N@H+](CC(=O)N2C3CCC2CC2(CC2(F)F)C3)C1	REAL300003106917	0	48	0.0	-46.32	350.30	9.41	-36.91
O=C([O-])C1CCC[N@@H+](CC(=O)N2C3CCC2CC2(CC2(F)F)C3)C1	REAL300003106917	1	48	0.0	-46.83	350.20	9.44	-37.39
O=C([O-])C1CCC[N@H+](CC(=O)N2C3CCC2CC(F)(F)C3)C1	REAL300003107015	0	44	0.0	-45.54	317.87	8.21	-37.33
O=C([O-])C1CCC[N@@H+](CC(=O)N2C3CCC2CC(F)(F)C3)C1	REAL300003107015	1	44	0.0	-49.60	318.99	8.66	-40.94
CC(C)C1=NC=C2C(=N1)CC1CCC2N1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003107131	0	55	0.0	-52.16	411.25	9.93	-42.23
CC(C)C1=NC=C2C(=N1)CC1CCC2N1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003107131	1	55	0.0	-47.84	404.57	9.48	-38.36
CC(C)(C)C1=NC=C2C(=N1)CC1CCC2N1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003107253	0	58	0.0	-51.74	429.87	10.70	-41.04
CC(C)(C)C1=NC=C2C(=N1)CC1CCC2N1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003107253	1	58	0.0	-47.48	423.20	10.26	-37.22
O=C([O-])C1CCC[N@H+](CC(=O)NC2C3CC4=CC(Cl)=CC=C4C32)C1	REAL300003107374	0	45	0.0	-48.10	362.97	10.11	-37.99
O=C([O-])C1CCC[N@@H+](CC(=O)NC2C3CC4=CC(Cl)=CC=C4C32)C1	REAL300003107374	1	45	0.0	-45.94	356.25	9.69	-36.25
CC(C)OC1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003107522	0	53	0.0	-49.01	390.56	7.71	-41.30
CC(C)OC1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003107522	1	53	0.0	-49.72	394.10	7.83	-41.89
CC1(C)[C@@H](C2=CC=CC=C2)[C@@H]1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003107685	0	50	0.0	-48.60	376.11	9.97	-38.63
CC1(C)[C@@H](C2=CC=CC=C2)[C@@H]1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003107685	1	50	0.0	-45.82	369.38	9.52	-36.30
CC1=CC=CC2=C1CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CO2	REAL300003107806	0	48	0.0	-52.47	365.45	7.93	-44.54
CC1=CC=CC2=C1CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CO2	REAL300003107806	1	48	0.0	-53.22	359.96	7.97	-45.25
CC(C)C1=NC=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2=N1	REAL300003107932	0	51	0.0	-53.34	386.37	8.80	-44.54
CC(C)C1=NC=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2=N1	REAL300003107932	1	51	0.0	-54.74	386.27	8.81	-45.93
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC=C(F)C(Br)=C3C2)C1	REAL300003108046	0	44	0.0	-46.21	349.88	9.73	-36.48
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=C(F)C(Br)=C3C2)C1	REAL300003108046	1	44	0.0	-47.79	357.39	10.17	-37.62
O=C([O-])C1=C(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=CO1	REAL300003109447	0	47	0.0	-72.49	375.69	9.04	-63.45
O=C([O-])C1=C(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=CO1	REAL300003110229	0	44	0.0	-57.54	352.44	7.94	-49.60
O=C([O-])C1=C(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=CO1	REAL300003110229	1	44	0.0	-58.26	358.48	8.47	-49.79
CC1=[NH+]C=C2CCC(C(=O)NCC3=C(C(=O)[O-])OC=C3)CN21	REAL300003111095	1	39	0.0	-59.77	322.96	6.59	-53.18
O=C([O-])C1=C(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=CO1	REAL300003111096	0	47	0.0	-57.48	377.12	8.94	-48.54
CC1=NC(C[NH+]2CCC(C(=O)NCC3=C(C(=O)[O-])OC=C3)CC2)=CS1	REAL300003111161	1	46	0.0	-69.74	382.68	6.74	-63.00
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2=C(C(=O)[O-])OC=C2)C=C1	REAL300003111234	0	50	0.0	-75.04	408.67	8.57	-66.47
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=C(C(=O)[O-])OC=C2)=C1	REAL300003111248	0	50	0.0	-77.99	409.46	10.89	-67.10
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2=C(C(=O)[O-])OC=C2)=C1	REAL300003111248	1	50	0.0	-76.98	409.42	10.89	-66.09
CC1(C(=O)NCC2=C(C(=O)[O-])OC=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003111249	0	50	0.0	-67.24	388.37	9.47	-57.77
O=C([O-])C1=C(CNC(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C=CO1	REAL300003111291	0	47	0.0	-68.84	390.02	9.17	-59.67
O=C([O-])C1=C(CNC(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C=CO1	REAL300003111291	1	47	0.0	-57.24	390.14	9.18	-48.06
C[NH+](C)CC1(C(=O)NCC2=C(C(=O)[O-])OC=C2)CCCCC1	REAL300003111328	0	46	0.0	-49.04	338.57	7.07	-41.97
C[N@H+](CCC(=O)NCC1=C(C(=O)[O-])OC=C1)C1CCCCC1	REAL300003111331	0	46	0.0	-63.95	353.01	7.41	-56.54
C[N@@H+](CCC(=O)NCC1=C(C(=O)[O-])OC=C1)C1CCCCC1	REAL300003111331	1	46	0.0	-63.15	353.01	7.41	-55.74
O=C([O-])C1=C(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C=CO1	REAL300003111356	1	44	0.0	-59.81	366.29	8.58	-51.23
O=C([O-])C1=C(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C=CO1	REAL300003111356	1	44	0.0	-62.42	364.90	8.54	-53.88
O=C([O-])C1=C(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=CO1	REAL300003111411	0	40	0.0	-76.08	343.85	6.44	-69.64
C[NH+](C)CCN1N=CC(C(=O)NCC2=C(C(=O)[O-])OC=C2)=C1C1=CC=CC=C1	REAL300003111416	0	50	0.0	-78.26	407.87	8.56	-69.70
O=C([O-])C1=C(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)C=CO1	REAL300003111442	0	47	0.0	-53.44	351.59	7.59	-45.85
O=C([O-])C1=C(CNC(=O)C2CCCC[N@H+]2C2CCCC2)C=CO1	REAL300003111442	1	47	0.0	-54.95	347.27	7.76	-47.19
O=C([O-])C1=C(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C=CO1	REAL300003111443	0	48	0.0	-71.25	366.33	6.10	-65.15
O=C([O-])C1=C(CNC(=O)CCCC[NH+]2CCOCC2)C=CO1	REAL300003111471	1	44	0.0	-71.66	352.86	5.41	-66.25
CC[N@H+](CC1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC=C2)C=C1)C(C)C	REAL300003111472	0	49	0.0	-74.48	373.25	8.56	-65.92
CC[N@@H+](CC1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC=C2)C=C1)C(C)C	REAL300003111472	1	49	0.0	-72.49	372.10	8.49	-64.00
O=C([O-])C1=C(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=CO1	REAL300003111495	0	44	0.0	-65.25	359.17	8.30	-56.95
O=C([O-])C1=C(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=CO1	REAL300003111495	1	44	0.0	-65.10	357.78	8.22	-56.88
O=C([O-])C1=C(CNC(=O)C2CC[NH+](C3CCSC3)CC2)C=CO1	REAL300003111496	0	45	0.0	-70.76	358.42	7.70	-63.06
C[NH+]1CCN(C(C(=O)NCC2=C(C(=O)[O-])OC=C2)C2=CC=CC=C2)CC1	REAL300003111518	1	49	0.0	-64.39	388.02	7.11	-57.28
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CC(C)[N@H+]1CCC(C(=O)NCC2=C(C(=O)[O-])OC=C2)C(C2=CN(C)N=C2)C1	REAL300003111927	1	53	0.0	-70.27	397.37	7.06	-63.21
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CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC=C2)C=C1	REAL300003111936	0	50	0.0	-75.00	397.75	8.44	-66.56
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CC[NH+]1CCN(CCC(=O)NCC2=C(C(=O)[O-])OC=C2)CC1	REAL300003112094	0	45	0.0	-68.09	352.71	4.44	-63.65
CCN1CC[NH+](CCC(=O)NCC2=C(C(=O)[O-])OC=C2)CC1	REAL300003112094	1	45	0.0	-63.48	353.21	4.47	-59.01
CC(C)C(C(=O)NCC1=C(C(=O)[O-])OC=C1)[NH+]1CCCCC1	REAL300003112097	0	46	0.0	-50.84	340.01	7.66	-43.18
C[NH+](C)C(C(=O)NCC1=C(C(=O)[O-])OC=C1)C1=CC=CC=C1	REAL300003112098	1	40	0.0	-59.66	329.26	7.31	-52.35
O=C([O-])C1=C(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=CO1	REAL300003112102	0	45	0.0	-63.14	367.62	5.25	-57.89
O=C([O-])C1=C(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=CO1	REAL300003112102	1	45	0.0	-63.13	367.86	5.22	-57.91
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1=C(C(=O)[O-])OC=C1	REAL300003112107	1	41	0.0	-59.03	340.02	6.98	-52.05
C[NH+](C)CC1=C(C(=O)NCC2=C(C(=O)[O-])OC=C2)OC2=CC=CC=C21	REAL300003112108	0	43	0.0	-65.40	353.95	7.63	-57.77
CC[NH+](CC)C(C(=O)NCC1=C(C(=O)[O-])OC=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003112110	0	49	0.0	-52.53	390.42	9.09	-43.44
O=C([O-])C1=C(CNC(=O)C2CCC[N@@H+]2C2CCCC2)C=CO1	REAL300003112113	0	44	0.0	-55.93	337.87	7.26	-48.67
O=C([O-])C1=C(CNC(=O)C2CCC[N@H+]2C2CCCC2)C=CO1	REAL300003112113	1	44	0.0	-58.11	340.58	7.21	-50.90
CC(C)C(C(=O)NCC1=C(C(=O)[O-])OC=C1)[NH+]1CC(C)OC(C)C1	REAL300003112135	1	50	0.0	-59.63	371.93	6.86	-52.77
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=C(C(=O)[O-])OC=C3)=CC=C1N2	REAL300003112161	1	45	0.0	-80.27	367.55	7.74	-72.53
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3=C(C(=O)[O-])OC=C3)=CC=C1N2	REAL300003112161	1	45	0.0	-80.40	367.76	7.71	-72.69
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC=C2)O1	REAL300003112213	0	43	0.0	-68.19	354.46	6.99	-61.20
CC1=CC=C(N2CCC(C(=O)NCC3=C(C(=O)[O-])OC=C3)CC2)[NH+]=C1	REAL300003112214	1	46	0.0	-66.59	368.63	6.88	-59.71
C[N@H+](CC(=O)NCC1=C(C(=O)[O-])OC=C1)CC1=CC=CC=C1	REAL300003112215	1	40	0.0	-60.61	331.26	7.41	-53.20
C[N@@H+](CC(=O)NCC1=C(C(=O)[O-])OC=C1)CC1=CC=CC=C1	REAL300003112215	1	40	0.0	-61.12	331.26	7.41	-53.71
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3=C(C(=O)[O-])OC=C3)C=C2)CC1	REAL300003112218	0	52	0.0	-78.21	400.77	7.67	-70.54
O=C([O-])C1=C(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C=CO1	REAL300003112228	1	35	0.0	-76.70	313.90	5.26	-71.44
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=C(C(=O)[O-])OC=C1	REAL300003112261	0	47	0.0	-71.55	379.30	8.80	-62.75
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=C(C(=O)[O-])OC=C1	REAL300003112261	1	47	0.0	-66.14	375.22	8.80	-57.34
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2=C(C(=O)[O-])OC=C2)C=C1	REAL300003112279	0	48	0.0	-78.00	397.10	8.28	-69.72
O=C([O-])C1=C(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=CO1	REAL300003112297	0	44	0.0	-71.05	360.75	7.50	-63.55
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2=C(C(=O)[O-])OC=C2)[C@@H](C(F)(F)F)C1	REAL300003112327	0	46	0.0	-68.43	368.50	6.99	-61.44
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2=C(C(=O)[O-])OC=C2)[C@@H](C(F)(F)F)C1	REAL300003112327	1	46	0.0	-65.69	367.23	7.11	-58.58
O=C([O-])C1=C(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=CO1	REAL300003112560	0	48	0.0	-70.81	383.51	9.31	-61.50
O=C([O-])C1=C(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=CO1	REAL300003112560	1	48	0.0	-72.02	384.81	9.27	-62.75
C[N@@H+]1CC(C(=O)NCC2=C(C(=O)[O-])OC=C2)C(C(F)(F)F)C1	REAL300003112672	0	37	0.0	-55.41	317.96	5.63	-49.78
C[N@H+]1CC(C(=O)NCC2=C(C(=O)[O-])OC=C2)C(C(F)(F)F)C1	REAL300003112672	1	37	0.0	-55.98	311.97	5.32	-50.66
C[NH+](C)CCC1=CC=CC(C(=O)NCC2=C(C(=O)[O-])OC=C2)=C1	REAL300003113095	0	43	0.0	-75.51	355.25	8.14	-67.37
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=C(C(=O)[O-])OC=C2)C=C1	REAL300003113101	0	44	0.0	-76.43	362.54	7.10	-69.33
O=C([O-])C1=C(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=CO1	REAL300003113176	0	50	0.0	-70.36	394.32	9.76	-60.60
CC1C[N@H+](CC2=CC=C(C(=O)NCC3=C(C(=O)[O-])OC=C3)C=C2)CCO1	REAL300003113178	1	48	0.0	-77.96	380.13	7.48	-70.48
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=C(C(=O)[O-])OC=C3)C=C2)CCO1	REAL300003113178	1	48	0.0	-78.07	380.12	7.48	-70.59
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])OC=C2)C1	REAL300003113263	0	46	0.0	-63.08	355.76	7.53	-55.55
CC(C)C[N@H+]1CCCC(C(=O)NCC2=C(C(=O)[O-])OC=C2)C1	REAL300003113263	1	46	0.0	-63.08	355.76	7.53	-55.55
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=C(C(=O)[O-])OC=C2)C1	REAL300003113269	0	46	0.0	-73.23	336.95	6.49	-66.74
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=C(C(=O)[O-])OC=C2)C1	REAL300003113269	1	46	0.0	-73.23	336.95	6.49	-66.74
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300003113389	0	48	0.0	-52.77	390.56	11.40	-41.37
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2F)CC2CC2)C1	REAL300003113515	0	50	0.0	-44.12	380.45	11.61	-32.51
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300003114834	0	53	0.0	-75.02	408.39	10.69	-64.33
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300003115552	1	50	0.0	-65.65	392.61	10.18	-55.47
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300003115552	1	50	0.0	-62.89	385.04	9.58	-53.31
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=N1	REAL300003116499	0	47	0.0	-69.50	356.78	8.33	-61.17
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+]2C2CC2)=N1	REAL300003116529	1	44	0.0	-65.94	335.19	8.01	-57.93
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+]2C2CC2)=N1	REAL300003116529	1	44	0.0	-61.44	341.19	7.90	-53.54
CC1=[NH+]C=C2CCC(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)CN21	REAL300003116535	1	45	0.0	-61.92	356.40	8.24	-53.68
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=N1	REAL300003116536	0	53	0.0	-64.78	404.14	10.19	-54.59
CC1=NC(C[NH+]2CCC(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)CC2)=CS1	REAL300003116614	1	52	0.0	-74.10	416.91	8.45	-65.65
CC(C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300003116615	1	48	0.0	-69.29	363.57	5.44	-63.85
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300003116702	0	56	0.0	-73.07	442.82	10.26	-62.81
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300003116715	0	56	0.0	-63.67	421.07	11.09	-52.58
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=N1	REAL300003116773	0	38	0.0	-68.49	317.48	8.97	-59.52
C[NH+](C)CC1(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)CCCCC1	REAL300003116806	0	52	0.0	-65.15	373.17	9.10	-56.05
C[N@H+](CCC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)C1CCCCC1	REAL300003116811	0	52	0.0	-71.02	388.73	9.18	-61.84
C[N@@H+](CCC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)C1CCCCC1	REAL300003116811	1	52	0.0	-71.16	388.72	9.19	-61.97
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=N1	REAL300003116890	0	46	0.0	-72.15	376.56	8.10	-64.05
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=N1	REAL300003116915	0	53	0.0	-61.88	381.43	9.43	-52.45
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=N1	REAL300003116915	1	53	0.0	-62.21	381.43	9.43	-52.78
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=N1	REAL300003116916	0	54	0.0	-64.98	393.98	7.65	-57.33
CC1=[NH+]C=CN1CCCC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003116947	1	44	0.0	-65.99	358.28	8.36	-57.63
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CCCC[NH+]2CCOCC2)=N1	REAL300003116948	1	50	0.0	-73.06	387.02	7.10	-65.96
CC[N@H+](CC1=CC=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C=C1)C(C)C	REAL300003116950	0	55	0.0	-72.48	410.44	10.41	-62.07
CC[N@@H+](CC1=CC=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C=C1)C(C)C	REAL300003116950	1	55	0.0	-73.50	407.78	10.28	-63.22
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300003116975	0	50	0.0	-69.41	390.44	9.84	-59.57
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300003116975	1	50	0.0	-69.44	392.29	9.92	-59.52
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=N1	REAL300003116976	0	51	0.0	-76.60	387.14	9.11	-67.49
C[NH+]1CCN(C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C2=CC=CC=C2)CC1	REAL300003117004	1	55	0.0	-67.47	426.85	8.76	-58.71
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=N1	REAL300003117005	0	54	0.0	-70.31	386.17	7.41	-62.90
CCC(C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)[NH+](CC)CC	REAL300003117009	0	48	0.0	-59.90	353.69	8.05	-51.85
CC(C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300003117011	1	49	0.0	-66.76	383.66	9.51	-57.25
CC(C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003117011	1	49	0.0	-65.74	382.22	9.48	-56.26
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=N1	REAL300003117022	0	56	0.0	-64.06	424.72	11.72	-52.34
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=N1	REAL300003117022	1	56	0.0	-72.41	430.98	11.51	-60.90
C[NH+](C)CC1=CC=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300003117048	0	45	0.0	-74.13	362.69	7.54	-66.59
CCC[NH+](CCC)CCCC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117058	0	54	0.0	-69.52	405.40	9.39	-60.13
CC[N@H+](C)C(C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300003117060	1	49	0.0	-61.86	382.76	9.72	-52.14
CC[N@@H+](C)C(C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300003117060	1	49	0.0	-62.24	381.25	9.65	-52.59
CC[NH+](CC)C(C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300003117065	0	52	0.0	-64.11	388.10	9.93	-54.18
CC(C)C1=[NH+]C=CN1CC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117072	1	44	0.0	-61.78	354.40	8.25	-53.53
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=N1	REAL300003117089	0	50	0.0	-75.98	391.68	10.16	-65.82
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=N1	REAL300003117096	0	53	0.0	-70.43	408.47	10.86	-59.57
CCN1CCC([NH+]2CCC(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)CC2)CC1	REAL300003117102	0	61	0.0	-72.54	442.53	8.33	-64.21
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=N1	REAL300003117122	1	54	0.0	-80.78	417.42	10.07	-70.71
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=N1	REAL300003117122	1	54	0.0	-77.54	423.10	9.97	-67.57
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=N1	REAL300003117137	1	53	0.0	-63.34	407.44	10.67	-52.67
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=N1	REAL300003117137	1	53	0.0	-62.32	407.41	10.65	-51.67
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=N1	REAL300003117147	0	53	0.0	-75.91	407.01	10.82	-65.09
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=N1	REAL300003117160	1	46	0.0	-74.49	371.80	7.64	-66.85
C[NH+](C)CCC1=CC=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300003117161	0	49	0.0	-78.28	389.36	9.86	-68.42
CC(C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003117186	1	59	0.0	-66.55	446.96	11.98	-54.57
C[N@H+](CC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)CC(C)(C)C	REAL300003117238	0	48	0.0	-66.56	358.36	8.01	-58.55
C[N@@H+](CC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)CC(C)(C)C	REAL300003117238	1	48	0.0	-66.44	358.56	8.07	-58.37
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117240	1	49	0.0	-70.62	387.88	9.95	-60.67
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117240	1	49	0.0	-70.63	387.88	9.95	-60.68
COCCOCC[N@H+](C)CCC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117241	0	53	0.0	-70.71	418.47	6.21	-64.50
COCCOCC[N@@H+](C)CCC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117241	1	53	0.0	-72.12	418.49	6.23	-65.89
C[N@@H+]1CCCC(O)(CC(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C1	REAL300003117245	0	47	0.0	-64.19	347.94	5.51	-58.68
C[N@H+]1CCCC(O)(CC(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C1	REAL300003117245	1	47	0.0	-63.58	357.64	5.70	-57.88
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)=N1	REAL300003117262	0	58	0.0	-74.81	443.08	9.65	-65.16
CCCCCC[N@H+](C)CC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117266	0	51	0.0	-68.17	392.49	9.27	-58.90
CCCCCC[N@@H+](C)CC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117266	1	51	0.0	-68.06	392.49	9.27	-58.79
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C23CCC[NH+]2CCC3)=N1	REAL300003117276	0	44	0.0	-65.40	333.33	7.47	-57.93
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=N1	REAL300003117284	1	38	0.0	-73.62	319.18	9.04	-64.58
C[N@H+](CC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)C1CCSC1	REAL300003117301	1	44	0.0	-72.21	348.27	7.75	-64.46
C[N@@H+](CC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)C1CCSC1	REAL300003117301	1	44	0.0	-70.66	346.58	7.71	-62.95
CC(C)[NH+]1CCN(CCC(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300003117316	0	54	0.0	-68.62	399.02	6.30	-62.32
CC(C)[NH+]1CCN(CCCC(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300003117317	0	57	0.0	-66.36	424.19	7.43	-58.93
CC(C)N1CC[NH+](CCCC(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300003117317	1	57	0.0	-70.60	422.44	7.32	-63.28
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCCC3CCC[N@@H+]32)=N1	REAL300003117318	0	47	0.0	-63.17	345.48	8.07	-55.10
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCCC3CCC[N@H+]32)=N1	REAL300003117318	1	47	0.0	-63.54	344.06	8.03	-55.51
C[NH+](C)CCN1C=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300003117320	0	46	0.0	-76.55	373.06	7.01	-69.54
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)CC2)=C1	REAL300003117328	0	58	0.0	-74.25	442.95	9.52	-64.73
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=N1	REAL300003117330	0	55	0.0	-75.23	423.11	8.94	-66.29
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=N1	REAL300003117333	0	52	0.0	-71.56	404.77	8.84	-62.72
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=N1	REAL300003117333	1	52	0.0	-71.76	403.28	8.79	-62.97
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300003117362	0	53	0.0	-73.06	410.56	10.61	-62.45
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300003117362	1	53	0.0	-73.97	413.30	10.73	-63.24
C[NH+](C)CCN1C=CC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)=N1	REAL300003117378	0	46	0.0	-79.45	372.00	6.99	-72.46
C[NH+](C)CCN1N=CC=C1C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117379	0	46	0.0	-61.61	368.34	7.00	-54.61
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117385	1	47	0.0	-62.65	374.70	8.73	-53.92
CC[C@@H]1[C@@H](C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)CC[N@@H+]1C	REAL300003117388	0	46	0.0	-71.57	346.05	7.22	-64.35
CC[C@@H]1[C@@H](C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)CC[N@H+]1C	REAL300003117388	1	46	0.0	-65.80	349.60	7.75	-58.05
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)=NN1	REAL300003117391	1	47	0.0	-75.42	374.55	6.60	-68.82
C[N@H+]1CCCC1C1=CC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)=NN1	REAL300003117391	1	47	0.0	-74.63	367.53	6.18	-68.45
CC1C[N@H+](C)CC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)O1	REAL300003117400	1	44	0.0	-74.61	340.58	6.59	-68.02
CC1C[N@@H+](C)CC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)O1	REAL300003117400	1	44	0.0	-77.61	347.33	6.61	-71.00
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)=N1	REAL300003117406	0	53	0.0	-71.90	408.63	10.92	-60.98
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)=N1	REAL300003117406	1	53	0.0	-67.52	408.59	10.92	-56.60
CC(C[NH+]1CCOCC1)C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117412	1	47	0.0	-69.87	360.05	6.24	-63.63
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)=N1	REAL300003117413	0	54	0.0	-74.03	417.89	8.21	-65.82
CC1CC[NH+](CC(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300003117423	1	46	0.0	-68.34	353.27	8.10	-60.24
CC[N@@H+]1CCOC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C1	REAL300003117438	1	44	0.0	-74.93	343.92	6.52	-68.41
CC[N@H+]1CCOC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C1	REAL300003117438	1	44	0.0	-67.46	336.85	6.33	-61.13
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=N1	REAL300003117478	0	53	0.0	-68.91	392.64	9.32	-59.59
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)=N1	REAL300003117478	1	53	0.0	-68.31	394.70	9.47	-58.84
C[N@@H+]1CCCC1CCC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117485	0	46	0.0	-70.29	354.72	7.96	-62.33
C[N@H+]1CCCC1CCC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117485	1	46	0.0	-67.49	349.26	7.48	-60.01
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C23CCC[NH+](CCC2)C3)=N1	REAL300003117498	0	47	0.0	-69.57	347.74	7.79	-61.78
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117502	1	44	0.0	-67.53	335.09	3.66	-63.87
C[N@H+]1CC(O)CC1(C)C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117502	1	44	0.0	-69.84	333.82	3.84	-66.00
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC3CCCC[N@@H+]32)=N1	REAL300003117503	0	47	0.0	-61.99	348.14	7.93	-54.06
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC3CCCC[N@H+]32)=N1	REAL300003117503	1	47	0.0	-60.16	354.85	8.37	-51.79
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117511	0	50	0.0	-66.75	371.11	6.68	-60.07
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300003117516	0	53	0.0	-79.63	406.68	7.99	-71.64
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C=N1	REAL300003117516	1	53	0.0	-77.83	412.82	8.35	-69.48
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)=C2)CC1	REAL300003117521	0	55	0.0	-67.32	424.15	8.38	-58.94
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)C=C2)CC1	REAL300003117522	0	55	0.0	-73.24	424.10	8.39	-64.85
CN1CC[NH+](CC2=CC=C(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)C=C2)CC1	REAL300003117522	1	55	0.0	-76.78	423.54	8.26	-68.52
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300003117523	0	56	0.0	-73.02	430.45	10.10	-62.92
CC(C)[NH+]1CCC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300003117531	0	49	0.0	-69.57	366.20	8.31	-61.26
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C23CC[N@H+](C2)CCC3)=N1	REAL300003117618	0	44	0.0	-69.34	330.52	6.75	-62.59
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C23CC[N@@H+](C2)CCC3)=N1	REAL300003117618	1	44	0.0	-72.51	329.28	6.70	-65.81
CC1CCC(C)[NH+]1CC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117671	0	46	0.0	-63.05	345.89	7.52	-55.53
C[NH+](C)CC1=CC=CC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300003117672	0	46	0.0	-72.10	366.91	9.01	-63.09
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300003117673	0	53	0.0	-66.17	403.66	10.90	-55.27
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300003117673	1	53	0.0	-66.00	403.61	10.90	-55.10
C#CC[NH+]1CCC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300003117743	0	45	0.0	-73.02	356.56	8.27	-64.75
CCC[N@@H+]1CCCCC1C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117745	0	49	0.0	-64.05	359.18	8.26	-55.79
CCC[N@H+]1CCCCC1C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117745	1	49	0.0	-63.41	359.18	8.26	-55.15
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117746	0	46	0.0	-57.17	359.65	9.24	-47.93
CC[NH+]1CCN(CCC(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300003117748	0	51	0.0	-69.92	386.88	6.14	-63.78
CCN1CC[NH+](CCC(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300003117748	1	51	0.0	-70.77	388.92	6.25	-64.52
CC(C)C(C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)[NH+]1CCCCC1	REAL300003117750	0	52	0.0	-63.36	380.07	9.39	-53.97
C[NH+](C)C(C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300003117751	1	46	0.0	-62.17	363.43	9.00	-53.17
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300003117755	0	51	0.0	-68.21	403.53	7.13	-61.08
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300003117755	1	51	0.0	-67.10	400.68	6.92	-60.18
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117761	1	47	0.0	-62.07	372.75	8.62	-53.45
C[NH+](C)CC1=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)OC2=CC=CC=C21	REAL300003117762	0	49	0.0	-60.23	394.05	9.37	-50.86
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=N1	REAL300003117768	0	50	0.0	-62.74	370.17	8.98	-53.76
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2CCC[N@H+]2C2CCCC2)=N1	REAL300003117768	1	50	0.0	-65.62	365.93	8.65	-56.97
CC(C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)[NH+]1CCCCCC1	REAL300003117799	0	49	0.0	-61.52	356.35	7.91	-53.61
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)=CC=C1N2	REAL300003117837	1	51	0.0	-75.94	401.70	9.45	-66.49
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)=CC=C1N2	REAL300003117837	1	51	0.0	-75.61	401.90	9.43	-66.18
CC[NH+](CC)CC1=CC=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)O1	REAL300003117893	0	49	0.0	-71.49	389.10	8.69	-62.80
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CCCC[NH+]2CCCC2)=N1	REAL300003117894	0	49	0.0	-69.47	378.65	8.77	-60.70
CC1=CC=C(N2CCC(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)CC2)[NH+]=C1	REAL300003117896	1	52	0.0	-66.85	401.37	8.53	-58.32
C[N@H+](CC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300003117897	1	46	0.0	-71.44	365.43	9.11	-62.33
C[N@@H+](CC(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300003117897	1	46	0.0	-71.06	364.04	9.06	-62.00
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)C=C2)CC1	REAL300003117901	0	58	0.0	-74.87	434.92	9.40	-65.47
C[NH+](C)CC1=CC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)=NO1	REAL300003117952	1	42	0.0	-76.29	347.87	6.55	-69.74
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117956	0	53	0.0	-71.83	410.04	10.47	-61.36
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117956	1	53	0.0	-71.47	410.54	10.54	-60.93
CC(C)[N@@H+]1CCCC1C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117975	0	46	0.0	-61.50	346.41	7.57	-53.93
CC(C)[N@H+]1CCCC1C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003117975	1	46	0.0	-62.97	341.15	7.52	-55.45
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300003117982	0	54	0.0	-75.72	431.21	9.99	-65.73
C[NH+]1CCC(OCC(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300003118003	0	47	0.0	-74.68	368.70	7.51	-67.17
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=N1	REAL300003118008	0	50	0.0	-72.65	392.39	9.05	-63.60
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)[C@@H](C(F)(F)F)C1	REAL300003118053	0	52	0.0	-69.61	402.74	8.73	-60.88
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)[C@@H](C(F)(F)F)C1	REAL300003118053	1	52	0.0	-63.79	399.93	8.74	-55.05
CCC[N@@H+]1CCCC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C1	REAL300003118205	0	49	0.0	-67.24	371.08	8.48	-58.76
CCC[N@H+]1CCCC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C1	REAL300003118205	1	49	0.0	-66.99	371.08	8.49	-58.50
CC(C)C[N@@H+]1CCCC1C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003118238	0	49	0.0	-65.03	361.96	8.54	-56.49
CC(C)C[N@H+]1CCCC1C(=O)NC1=NN(C(C)(C)C(=O)[O-])C=C1	REAL300003118238	1	49	0.0	-65.10	361.53	8.60	-56.50
CC(C)(C(=O)[O-])N1C=CC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=N1	REAL300003118341	0	54	0.0	-72.82	417.53	10.98	-61.84
CC(C)(C(=O)[O-])N1C=CC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=N1	REAL300003118341	1	54	0.0	-74.07	418.35	10.94	-63.13
CC(C)[N@@H+]1CCCC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C1	REAL300003118479	0	49	0.0	-65.37	366.23	8.25	-57.12
CC(C)[N@H+]1CCCC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C1	REAL300003118479	1	49	0.0	-60.32	361.42	8.51	-51.81
C[N@@H+]1CC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300003118480	0	43	0.0	-75.67	343.22	7.19	-68.48
C[N@H+]1CC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300003118480	1	43	0.0	-73.33	346.17	7.01	-66.32
CC1=C(C)[NH+]=C(CCC(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)N1	REAL300003118504	1	44	0.0	-63.48	358.98	6.80	-56.68
C[NH+](C)CCC1=CC=CC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300003119009	0	49	0.0	-72.67	387.95	9.79	-62.88
C[NH+](C)CCOC1=CC=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300003119017	0	50	0.0	-74.87	396.70	8.81	-66.06
CC(C)(C(=O)[O-])N1C=CC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300003119118	0	56	0.0	-67.84	428.54	11.46	-56.38
CC1C[N@H+](CC2=CC=C(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)C=C2)CCO1	REAL300003119120	1	54	0.0	-78.25	412.82	9.13	-69.12
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=NN(C(C)(C)C(=O)[O-])C=C3)C=C2)CCO1	REAL300003119120	1	54	0.0	-78.80	414.21	9.18	-69.62
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)CC1	REAL300003119167	0	49	0.0	-61.20	359.62	8.16	-53.04
CC(C)C[N@@H+]1CCCC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C1	REAL300003119235	0	52	0.0	-61.94	383.74	9.44	-52.50
CC(C)C[N@H+]1CCCC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C1	REAL300003119235	1	52	0.0	-61.94	383.74	9.44	-52.50
CC[N@@H+]1CCCC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C1	REAL300003119236	0	46	0.0	-61.99	346.31	8.08	-53.91
CC[N@H+]1CCCC(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C1	REAL300003119236	1	46	0.0	-61.99	346.31	8.08	-53.91
CN(C)CC1=CC=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)O1	REAL300003119242	0	43	0.0	-74.32	352.24	7.24	-67.08
C[NH+](C)CC1=CC=C(C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)O1	REAL300003119242	1	43	0.0	-74.32	352.24	7.24	-67.08
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C1	REAL300003119248	0	52	0.0	-71.77	378.75	8.63	-63.14
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=NN(C(C)(C)C(=O)[O-])C=C2)C1	REAL300003119248	1	52	0.0	-71.77	378.75	8.63	-63.14
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C23CC(C2)CN3C2CC2)=N1	REAL300003119251	0	45	0.0	-64.06	346.30	8.16	-55.90
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=N1	REAL300003119251	1	45	0.0	-65.36	345.82	8.56	-56.80
CC(C)(C(=O)[O-])N1C=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=N1	REAL300003119251	1	45	0.0	-65.36	345.82	8.56	-56.80
CC1=CC=C2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300003119320	0	50	0.0	-48.58	382.01	9.95	-38.63
O=C([O-])CC(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300003120670	0	53	0.0	-76.77	404.04	10.70	-66.07
O=C([O-])CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C1CC1	REAL300003121451	0	50	0.0	-57.76	379.25	9.66	-48.10
O=C([O-])CC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C1CC1	REAL300003121451	1	50	0.0	-62.30	386.82	10.13	-52.17
O=C([O-])CC(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C1CC1	REAL300003122247	1	50	0.0	-68.09	405.10	10.69	-57.40
O=C([O-])CC(CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C1CC1	REAL300003122247	1	50	0.0	-66.85	402.02	10.61	-56.24
CC1=[NH+]C=C2CCC(C(=O)NCC(CC(=O)[O-])C3CC3)CN21	REAL300003122335	1	45	0.0	-62.32	343.45	8.88	-53.44
O=C([O-])CC(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1CC1	REAL300003122336	0	53	0.0	-62.93	405.88	10.58	-52.35
CC1=NC(C[NH+]2CCC(C(=O)NCC(CC(=O)[O-])C3CC3)CC2)=CS1	REAL300003122401	1	52	0.0	-76.35	411.48	8.46	-67.89
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CC[NH+]1CCN(CCC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300003123355	0	51	0.0	-72.43	380.39	5.99	-66.44
CCN1CC[NH+](CCC(=O)NCC(CC(=O)[O-])C2CC2)CC1	REAL300003123355	1	51	0.0	-68.66	381.55	6.13	-62.53
CC(C)C(C(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CCCCC1	REAL300003123358	0	52	0.0	-61.44	369.49	9.45	-51.99
C[NH+](C)C(C(=O)NCC(CC(=O)[O-])C1CC1)C1=CC=CC=C1	REAL300003123359	1	46	0.0	-63.19	357.64	8.98	-54.21
O=C([O-])CC(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300003123363	0	51	0.0	-62.55	394.45	6.96	-55.59
O=C([O-])CC(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300003123363	1	51	0.0	-67.55	388.42	7.52	-60.03
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(CC(=O)[O-])C1CC1	REAL300003123368	1	47	0.0	-62.65	368.38	8.64	-54.01
C[NH+](C)CC1=C(C(=O)NCC(CC(=O)[O-])C2CC2)OC2=CC=CC=C21	REAL300003123369	0	49	0.0	-57.93	388.27	9.32	-48.61
O=C([O-])CC(CNC(=O)C1CCC[N@@H+]1C1CCCC1)C1CC1	REAL300003123373	0	50	0.0	-64.00	351.33	9.40	-54.60
O=C([O-])CC(CNC(=O)C1CCC[N@H+]1C1CCCC1)C1CC1	REAL300003123373	1	50	0.0	-62.51	369.04	8.94	-53.57
CC(C)C(C(=O)NCC(CC(=O)[O-])C1CC1)[NH+]1CC(C)OC(C)C1	REAL300003123397	1	56	0.0	-60.31	398.37	8.66	-51.65
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(CC(=O)[O-])C3CC3)=CC=C1N2	REAL300003123425	1	51	0.0	-74.81	394.42	9.45	-65.36
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC(CC(=O)[O-])C3CC3)=CC=C1N2	REAL300003123425	1	51	0.0	-80.20	396.69	9.45	-70.75
CC[NH+](CC)CC1=CC=C(C(=O)NCC(CC(=O)[O-])C2CC2)O1	REAL300003123477	0	49	0.0	-64.35	381.48	8.67	-55.68
CC1=CC=C(N2CCC(C(=O)NCC(CC(=O)[O-])C3CC3)CC2)[NH+]=C1	REAL300003123478	1	52	0.0	-70.84	396.98	8.54	-62.30
C[N@H+](CC(=O)NCC(CC(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300003123479	1	46	0.0	-67.81	359.60	9.07	-58.74
C[N@@H+](CC(=O)NCC(CC(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300003123479	1	46	0.0	-67.64	359.61	9.07	-58.57
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300003123482	0	58	0.0	-80.61	429.12	9.32	-71.29
O=C([O-])CC(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CC1	REAL300003123493	1	41	0.0	-72.91	340.68	6.98	-65.93
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC(=O)[O-])C1CC1	REAL300003123527	0	53	0.0	-68.70	406.07	10.51	-58.19
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC(=O)[O-])C1CC1	REAL300003123527	1	53	0.0	-72.38	400.90	11.19	-61.19
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300003123545	0	54	0.0	-81.22	425.44	9.94	-71.28
O=C([O-])CC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CC1	REAL300003123563	0	50	0.0	-77.89	389.11	9.17	-68.72
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC(CC(=O)[O-])C2CC2)[C@@H](C(F)(F)F)C1	REAL300003123594	0	52	0.0	-67.65	397.38	8.74	-58.91
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC(CC(=O)[O-])C2CC2)[C@@H](C(F)(F)F)C1	REAL300003123594	1	52	0.0	-60.61	396.60	8.83	-51.78
O=C([O-])CC(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1CC1	REAL300003123833	0	54	0.0	-69.09	411.85	10.97	-58.12
O=C([O-])CC(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1CC1	REAL300003123833	1	54	0.0	-66.39	411.68	10.99	-55.40
O=C([O-])CC(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C1CC1	REAL300003123865	1	53	0.0	-63.34	400.78	11.27	-52.07
O=C([O-])CC(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C1CC1	REAL300003123865	1	53	0.0	-64.96	389.65	11.05	-53.91
C[N@@H+]1CC(C(=O)NCC(CC(=O)[O-])C2CC2)C(C(F)(F)F)C1	REAL300003123948	0	43	0.0	-80.05	347.48	7.29	-72.76
C[N@H+]1CC(C(=O)NCC(CC(=O)[O-])C2CC2)C(C(F)(F)F)C1	REAL300003123948	1	43	0.0	-75.67	332.28	7.77	-67.90
C[NH+](C)CCC1=CC=CC(C(=O)NCC(CC(=O)[O-])C2CC2)=C1	REAL300003124380	0	49	0.0	-77.50	383.59	9.80	-67.70
C[NH+](C)CCOC1=CC=C(C(=O)NCC(CC(=O)[O-])C2CC2)C=C1	REAL300003124386	0	50	0.0	-81.82	390.89	8.75	-73.07
O=C([O-])CC(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300003124465	0	56	0.0	-70.23	422.65	11.41	-58.82
CC1C[N@H+](CC2=CC=C(C(=O)NCC(CC(=O)[O-])C3CC3)C=C2)CCO1	REAL300003124467	1	54	0.0	-83.14	408.94	9.21	-73.93
CC1C[N@@H+](CC2=CC=C(C(=O)NCC(CC(=O)[O-])C3CC3)C=C2)CCO1	REAL300003124467	1	54	0.0	-84.04	408.96	9.21	-74.83
CC(C)C[N@@H+]1CCCC(C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300003124553	0	52	0.0	-59.84	377.88	9.39	-50.45
CC(C)C[N@H+]1CCCC(C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300003124553	1	52	0.0	-59.84	377.88	9.39	-50.45
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300003124561	0	52	0.0	-71.00	365.58	9.17	-61.83
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(CC(=O)[O-])C2CC2)C1	REAL300003124561	1	52	0.0	-71.00	365.58	9.17	-61.83
CC1N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2C1(C)C	REAL300003124631	0	50	0.0	-44.54	364.50	10.77	-33.77
CC(CCF)(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003125671	0	49	0.0	-70.15	368.25	9.83	-60.32
CC1=NC(C[NH+]2CCC(C(=O)NC(C)(CCF)C(=O)[O-])CC2)=CS1	REAL300003126922	1	48	0.0	-70.48	375.70	7.59	-62.89
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(C)(CCF)C(=O)[O-])C=C1	REAL300003126970	0	52	0.0	-76.20	401.23	9.36	-66.84
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C)(CCF)C(=O)[O-])=C1	REAL300003126975	0	52	0.0	-74.60	402.02	11.70	-62.90
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C)(CCF)C(=O)[O-])=C1	REAL300003126975	1	52	0.0	-73.65	402.02	11.71	-61.94
C[NH+](C)CC1(C(=O)NC(C)(CCF)C(=O)[O-])CCCCC1	REAL300003127038	0	48	0.0	-69.36	323.55	8.77	-60.59
C[N@H+](CCC(=O)NC(C)(CCF)C(=O)[O-])C1CCCCC1	REAL300003127040	0	48	0.0	-61.00	345.57	8.18	-52.82
C[N@@H+](CCC(=O)NC(C)(CCF)C(=O)[O-])C1CCCCC1	REAL300003127040	1	48	0.0	-61.71	345.57	8.20	-53.51
CC(CCF)(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300003127094	0	42	0.0	-75.44	336.31	7.24	-68.20
CC(CCF)(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300003127112	0	50	0.0	-47.66	348.97	6.51	-41.15
CC(CCF)(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300003127133	1	46	0.0	-69.81	345.43	6.20	-63.61
CC[N@H+](CC1=CC=C(C(=O)NC(C)(CCF)C(=O)[O-])C=C1)C(C)C	REAL300003127134	0	51	0.0	-74.34	373.84	9.72	-64.62
CC[N@@H+](CC1=CC=C(C(=O)NC(C)(CCF)C(=O)[O-])C=C1)C(C)C	REAL300003127134	1	51	0.0	-74.50	364.65	9.29	-65.21
CC(CCF)(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003127150	0	46	0.0	-60.87	351.93	9.03	-51.84
CC(CCF)(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003127150	1	46	0.0	-60.92	350.31	8.98	-51.94
CC(CCF)(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300003127151	0	47	0.0	-74.18	350.97	8.48	-65.70
CC(CCF)(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300003127172	0	50	0.0	-62.43	343.91	6.23	-56.20
CC(C(=O)NC(C)(CCF)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003127175	0	45	0.0	-52.88	341.03	8.53	-44.35
CC(C(=O)NC(C)(CCF)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003127175	1	45	0.0	-57.69	341.94	8.56	-49.13
CC(CCF)(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003127183	0	52	0.0	-55.76	384.56	10.78	-44.98
CC(CCF)(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003127183	1	52	0.0	-66.14	390.78	10.66	-55.48
CCC[NH+](CCC)CCCC(=O)NC(C)(CCF)C(=O)[O-]	REAL300003127202	0	50	0.0	-64.42	365.25	8.53	-55.89
CC(CCF)(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300003127217	0	46	0.0	-77.21	349.24	9.19	-68.02
CC(CCF)(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300003127222	0	49	0.0	-68.51	366.87	9.96	-58.55
CCN1CCC([NH+]2CCC(C(=O)NC(C)(CCF)C(=O)[O-])CC2)CC1	REAL300003127228	0	57	0.0	-68.36	398.09	7.31	-61.05
CC1C[NH+](CC2=CC=C(C(=O)NC(C)(CCF)C(=O)[O-])C=C2)CC(C)O1	REAL300003127234	1	53	0.0	-81.50	400.15	9.00	-72.50
CC(CCF)(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003127244	1	50	0.0	-74.32	374.71	8.81	-65.51
CC(CCF)(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003127244	1	50	0.0	-74.37	374.72	8.82	-65.55
CC1=C(C(=O)NC(C)(CCF)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003127258	1	40	0.0	-75.54	321.32	6.40	-69.14
CC(CCF)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300003127261	0	49	0.0	-78.05	366.56	9.92	-68.13
CC(CCF)(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300003127271	1	42	0.0	-73.12	330.57	6.73	-66.39
C[NH+](C)CCC1=CC=C(C(=O)NC(C)(CCF)C(=O)[O-])C=C1	REAL300003127272	0	45	0.0	-82.59	347.80	8.95	-73.64
CC(CCF)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003127275	1	47	0.0	-52.99	351.95	8.06	-44.93
CC(CCF)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003127275	1	47	0.0	-52.93	352.04	8.06	-44.87
CC(C(=O)NC(C)(CCF)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003127283	0	55	0.0	-51.77	400.02	10.86	-40.91
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C)(CCF)C(=O)[O-]	REAL300003127308	0	45	0.0	-56.59	346.30	8.97	-47.62
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C)(CCF)C(=O)[O-]	REAL300003127308	1	45	0.0	-56.60	346.30	8.97	-47.63
COCCOCC[N@H+](C)CCC(=O)NC(C)(CCF)C(=O)[O-]	REAL300003127309	0	49	0.0	-61.59	375.30	5.22	-56.37
COCCOCC[N@@H+](C)CCC(=O)NC(C)(CCF)C(=O)[O-]	REAL300003127309	1	49	0.0	-63.69	375.34	5.23	-58.46
CC(CCF)(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003127315	0	54	0.0	-68.12	401.46	8.74	-59.38
CC(C)[NH+]1CCN(CCC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300003127343	0	50	0.0	-67.52	362.51	5.78	-61.74
CC(C)N1CC[NH+](CCC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300003127343	1	50	0.0	-60.72	358.83	5.57	-55.15
CC(C)[NH+]1CCN(CCCC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300003127344	0	53	0.0	-65.19	384.02	6.58	-58.61
CC(C)N1CC[NH+](CCCC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300003127344	1	53	0.0	-64.09	380.33	6.37	-57.72
C[NH+](C)CCN1C=C(C(=O)NC(C)(CCF)C(=O)[O-])C=N1	REAL300003127346	0	42	0.0	-74.90	331.45	6.13	-68.77
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C)(CCF)C(=O)[O-])CC2)=C1	REAL300003127349	0	54	0.0	-64.40	401.37	8.60	-55.80
CC(CCF)(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003127351	0	51	0.0	-64.11	379.97	7.94	-56.17
CC(CCF)(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003127354	0	48	0.0	-61.53	356.96	8.15	-53.38
CC(CCF)(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003127354	1	48	0.0	-61.73	363.14	7.93	-53.80
CC(C(=O)NC(C)(CCF)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003127358	1	46	0.0	-54.85	342.21	9.10	-45.75
CC(C(=O)NC(C)(CCF)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003127358	1	46	0.0	-55.22	342.20	9.09	-46.13
CC(CCF)(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003127375	0	49	0.0	-67.04	369.50	9.71	-57.33
CC(CCF)(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003127375	1	49	0.0	-67.73	370.74	9.71	-58.02
C[NH+](C)CCN1C=CC(C(=O)NC(C)(CCF)C(=O)[O-])=N1	REAL300003127384	0	42	0.0	-83.58	331.84	6.16	-77.42
C[NH+](C)CCN1N=CC=C1C(=O)NC(C)(CCF)C(=O)[O-]	REAL300003127385	0	42	0.0	-52.05	326.82	6.06	-45.99
CC(CCF)(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003127395	0	49	0.0	-62.02	368.44	9.98	-52.04
CC(CCF)(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003127395	1	49	0.0	-61.54	374.68	9.85	-51.69
CC(CCF)(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300003127397	0	50	0.0	-63.76	377.69	7.35	-56.41
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300003127423	1	49	0.0	-75.76	364.69	8.03	-67.73
CC(CCF)(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003127424	0	49	0.0	-56.91	352.65	8.51	-48.40
CC(CCF)(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003127424	1	49	0.0	-58.78	351.80	8.46	-50.32
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(C)(CCF)C(=O)[O-])=C2)CC1	REAL300003127444	0	51	0.0	-67.60	383.99	7.53	-60.07
C[NH+]1CCN(CC2=CC=C(C(=O)NC(C)(CCF)C(=O)[O-])C=C2)CC1	REAL300003127445	0	51	0.0	-76.36	383.05	7.35	-69.01
CN1CC[NH+](CC2=CC=C(C(=O)NC(C)(CCF)C(=O)[O-])C=C2)CC1	REAL300003127445	1	51	0.0	-78.63	383.38	7.42	-71.21
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C)(CCF)C(=O)[O-])C=C1	REAL300003127446	0	52	0.0	-76.77	390.30	9.25	-67.52
CC(CCF)(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300003127504	0	53	0.0	-81.54	398.54	7.27	-74.27
CC(CCF)(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003127506	0	49	0.0	-60.27	368.27	9.79	-50.48
CC(CCF)(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003127506	1	49	0.0	-55.91	362.00	9.91	-46.00
CC[NH+]1CCN(CCC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300003127543	0	47	0.0	-67.73	344.61	5.11	-62.62
CCN1CC[NH+](CCC(=O)NC(C)(CCF)C(=O)[O-])CC1	REAL300003127543	1	47	0.0	-60.22	345.77	5.25	-54.97
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C)(CCF)C(=O)[O-])=CC=C1N2	REAL300003127587	1	47	0.0	-77.52	360.10	8.55	-68.97
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C)(CCF)C(=O)[O-])=CC=C1N2	REAL300003127587	1	47	0.0	-77.73	360.32	8.51	-69.22
CC[NH+](CC)CC1=CC=C(C(=O)NC(C)(CCF)C(=O)[O-])O1	REAL300003127626	0	45	0.0	-72.82	347.50	7.82	-65.00
CC1=CC=C(N2CCC(C(=O)NC(C)(CCF)C(=O)[O-])CC2)[NH+]=C1	REAL300003127627	1	48	0.0	-66.46	361.20	7.67	-58.79
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C)(CCF)C(=O)[O-])C=C2)CC1	REAL300003127630	0	54	0.0	-78.68	393.32	8.47	-70.21
CC(CCF)(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003127637	1	37	0.0	-73.77	306.44	6.08	-67.69
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(CCF)C(=O)[O-]	REAL300003127661	0	49	0.0	-66.30	371.88	9.58	-56.72
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(CCF)C(=O)[O-]	REAL300003127661	1	49	0.0	-63.33	368.75	9.59	-53.74
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C)(CCF)C(=O)[O-])C=C1	REAL300003127676	0	50	0.0	-79.14	389.63	9.10	-70.04
CC(CCF)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300003127689	0	46	0.0	-73.93	352.24	8.23	-65.70
C[N@@H+]1CC(C(=O)NC(C)(CCF)C(=O)[O-])C(C(F)(F)F)C1	REAL300003127951	0	39	0.0	-65.22	293.16	6.15	-59.07
C[N@H+]1CC(C(=O)NC(C)(CCF)C(=O)[O-])C(C(F)(F)F)C1	REAL300003127951	1	39	0.0	-62.92	298.55	6.14	-56.78
C[NH+](C)CCC1=CC=CC(C(=O)NC(C)(CCF)C(=O)[O-])=C1	REAL300003128250	0	45	0.0	-72.81	347.81	8.94	-63.87
C[NH+](C)CCOC1=CC=C(C(=O)NC(C)(CCF)C(=O)[O-])C=C1	REAL300003128253	0	46	0.0	-78.84	355.09	7.91	-70.93
CC(CCF)(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003128315	0	52	0.0	-64.34	386.87	10.47	-53.87
CC1C[N@H+](CC2=CC=C(C(=O)NC(C)(CCF)C(=O)[O-])C=C2)CCO1	REAL300003128317	1	50	0.0	-80.91	372.66	8.28	-72.63
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C)(CCF)C(=O)[O-])C=C2)CCO1	REAL300003128317	1	50	0.0	-79.88	372.71	8.28	-71.60
CC(C)C[N@@H+]1CCCC(C(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300003128364	0	48	0.0	-61.16	348.52	8.32	-52.84
CC(C)C[N@H+]1CCCC(C(=O)NC(C)(CCF)C(=O)[O-])C1	REAL300003128364	1	48	0.0	-60.16	348.32	8.30	-51.86
COC1=CC=CC([C@H](NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])=C1	REAL300003129361	0	54	0.0	-77.34	422.54	10.53	-66.81
COC1=CC=CC([C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])=C1	REAL300003130637	0	48	0.0	-71.53	371.50	8.12	-63.41
COC1=CC=CC([C@H](NC(=O)C2CCC3=C[NH+]=C(C)N3C2)C(=O)[O-])=C1	REAL300003130663	1	46	0.0	-64.53	369.82	8.06	-56.47
COC1=CC=CC([C@H](NC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300003130730	1	49	0.0	-73.04	375.31	5.10	-67.94
COC1=CC=CC([C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])=C1	REAL300003130764	0	44	0.0	-64.33	334.76	6.68	-57.65
COC1=CC=CC([C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])=C1	REAL300003130764	1	44	0.0	-61.11	344.04	6.85	-54.26
COC1=CC=CC([C@H](NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300003130836	0	44	0.0	-74.53	346.05	6.96	-67.57
COC1=CC=CC([C@H](NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])=C1	REAL300003130861	0	39	0.0	-72.73	331.62	8.83	-63.90
COC1=CC=CC([C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])=C1	REAL300003130890	0	53	0.0	-74.40	384.95	9.80	-64.60
COC1=CC=CC([C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])=C1	REAL300003130894	0	53	0.0	-67.70	399.87	8.89	-58.81
COC1=CC=CC([C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])=C1	REAL300003130894	1	53	0.0	-68.95	400.47	8.84	-60.11
COC1=CC=CC([C@H](NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300003130953	0	44	0.0	-74.53	346.05	6.96	-67.57
COC1=CC=CC([C@H](NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(=O)[O-])=C1	REAL300003130956	0	47	0.0	-84.15	391.32	7.89	-76.26
COC1=CC=CC([C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C(=O)[O-])=C1	REAL300003130971	0	55	0.0	-57.84	404.53	7.39	-50.45
COC1=CC=CC([C@H](NC(=O)CCCN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300003131000	1	45	0.0	-68.43	372.46	8.20	-60.23
COC1=CC=CC([C@H](NC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300003131001	1	51	0.0	-76.96	399.73	6.89	-70.07
CC[N@H+](CC1=CC=C(C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1)C(C)C	REAL300003131003	0	56	0.0	-82.00	425.22	10.21	-71.79
CC[N@@H+](CC1=CC=C(C(=O)N[C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1)C(C)C	REAL300003131003	1	56	0.0	-85.05	420.37	10.12	-74.93
COC1=CC=CC([C@H](NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300003131040	0	51	0.0	-68.80	406.48	9.80	-59.00
COC1=CC=CC([C@H](NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300003131040	1	51	0.0	-69.00	407.05	9.74	-59.26
COC1=CC=CC([C@H](NC(=O)C2CC[NH+](C3CCSC3)CC2)C(=O)[O-])=C1	REAL300003131041	0	52	0.0	-79.34	401.46	8.83	-70.51
COC1=CC=CC([C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C(=O)[O-])=C1	REAL300003131068	0	55	0.0	-70.71	399.48	7.14	-63.57
CCC(C(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1)[NH+](CC)CC	REAL300003131072	0	49	0.0	-57.40	364.68	7.30	-50.10
COC1=CC=CC([C@H](NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003131074	0	50	0.0	-63.47	396.99	9.24	-54.23
COC1=CC=CC([C@H](NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003131074	1	50	0.0	-63.54	396.98	9.27	-54.27
COC1=CC=CC([C@H](NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300003131083	0	57	0.0	-62.91	439.49	11.51	-51.40
COC1=CC=CC([C@H](NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300003131083	1	57	0.0	-72.02	445.73	11.30	-60.72
COC1=CC=CC([C@H](NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])=C1	REAL300003131096	0	46	0.0	-80.70	375.98	6.87	-73.83
CCC[NH+](CCC)CCCC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003131102	0	55	0.0	-71.65	419.56	9.22	-62.43
COC1=CC=CC([C@H](NC(=O)C2C[N@H+](C)CCO2)C(=O)[O-])=C1	REAL300003131104	1	42	0.0	-69.18	332.08	5.63	-63.55
COC1=CC=CC([C@H](NC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])=C1	REAL300003131104	1	42	0.0	-80.31	339.44	5.71	-74.60
COC1=CC=CC([C@H](NC(=O)CN2C=C[NH+]=C2C(C)C)C(=O)[O-])=C1	REAL300003131112	1	45	0.0	-59.09	367.19	8.04	-51.05
COC1=CC=CC([C@H](NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(=O)[O-])=C1	REAL300003131127	0	51	0.0	-85.37	404.79	9.97	-75.40
COC1=CC=CC([C@H](NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(=O)[O-])=C1	REAL300003131133	0	54	0.0	-78.28	421.77	10.60	-67.68
COC1=CC=CC([C@H](NC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])=C1	REAL300003131139	0	44	0.0	-73.59	346.81	7.05	-66.54
COC1=CC=CC([C@H](NC(=O)CCCC[NH+](C)C)C(=O)[O-])=C1	REAL300003131148	0	46	0.0	-75.91	366.83	7.43	-68.48
COC1=CC=CC([C@H](NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1	REAL300003131158	1	55	0.0	-81.23	429.61	9.73	-71.50
COC1=CC=CC([C@H](NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1	REAL300003131158	1	55	0.0	-82.23	429.69	9.72	-72.51
COC1=CC=CC([C@H](NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])=C1	REAL300003131170	1	45	0.0	-83.35	376.23	7.11	-76.24
COC1=CC=CC([C@H](NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])=C1	REAL300003131173	0	54	0.0	-86.09	421.79	10.61	-75.48
COC1=CC=CC([C@H](NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])=C1	REAL300003131185	1	47	0.0	-80.35	385.49	7.35	-73.00
COC1=CC=CC([C@H](NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300003131186	0	50	0.0	-89.03	402.13	9.65	-79.38
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003131192	1	43	0.0	-60.68	350.78	6.39	-54.29
COC1=CC=CC([C@H](NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1	REAL300003131193	1	52	0.0	-71.90	409.04	9.11	-62.79
COC1=CC=CC([C@H](NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1	REAL300003131193	1	52	0.0	-78.52	416.25	9.27	-69.25
COC1=CC=CC([C@H](NC(=O)C[N@H+](C)C2CCC2)C(=O)[O-])=C1	REAL300003131213	0	44	0.0	-58.91	347.95	7.31	-51.60
COC1=CC=CC([C@H](NC(=O)C[N@@H+](C)C2CCC2)C(=O)[O-])=C1	REAL300003131213	1	44	0.0	-58.11	348.05	7.31	-50.80
COC1=CC=CC([C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-])=C1	REAL300003131242	0	49	0.0	-60.11	371.08	7.79	-52.32
COC1=CC=CC([C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])=C1	REAL300003131242	1	49	0.0	-60.93	369.89	7.67	-53.26
COC1=CC=CC([C@H](NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003131244	0	50	0.0	-63.12	400.60	9.73	-53.39
COC1=CC=CC([C@H](NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003131244	1	50	0.0	-63.24	400.59	9.74	-53.50
COCCOCC[N@H+](C)CCC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003131245	0	54	0.0	-69.05	430.19	5.87	-63.18
COCCOCC[N@@H+](C)CCC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003131245	1	54	0.0	-69.47	430.24	5.88	-63.59
COC1=CC=CC([C@H](NC(=O)CC2(O)CCC[N@H+](C)C2)C(=O)[O-])=C1	REAL300003131249	0	48	0.0	-60.80	372.13	5.67	-55.13
COC1=CC=CC([C@H](NC(=O)CC2(O)CCC[N@@H+](C)C2)C(=O)[O-])=C1	REAL300003131249	1	48	0.0	-60.93	362.11	5.44	-55.49
CCCCCC[N@H+](C)CC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003131261	0	52	0.0	-62.47	405.79	9.00	-53.47
CCCCCC[N@@H+](C)CC(=O)N[C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003131261	1	52	0.0	-61.45	405.19	9.05	-52.40
COC1=CC=CC([C@H](NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])=C1	REAL300003131275	1	39	0.0	-80.73	332.50	8.78	-71.95
COC1=CC=CC([C@H](NC(=O)C[N@H+](C)C2CCSC2)C(=O)[O-])=C1	REAL300003131288	0	45	0.0	-65.54	360.81	7.52	-58.02
COC1=CC=CC([C@H](NC(=O)C[N@@H+](C)C2CCSC2)C(=O)[O-])=C1	REAL300003131288	1	45	0.0	-63.01	360.81	7.55	-55.46
COC1=CC=CC([C@H](NC(=O)CCN2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300003131303	0	55	0.0	-75.51	412.29	6.03	-69.48
COC1=CC=CC([C@H](NC(=O)CC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])=C1	REAL300003131303	1	55	0.0	-66.78	413.33	6.27	-60.51
COC1=CC=CC([C@H](NC(=O)CCCN2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300003131304	0	58	0.0	-74.19	438.92	7.23	-66.96
COC1=CC=CC([C@H](NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])=C1	REAL300003131304	1	58	0.0	-71.28	435.13	7.11	-64.17
COC1=CC=CC([C@H](NC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])=C1	REAL300003131305	0	48	0.0	-55.13	366.43	8.07	-47.06
COC1=CC=CC([C@H](NC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])=C1	REAL300003131305	1	48	0.0	-58.40	357.44	7.85	-50.55
COC1=CC=CC([C@H](NC(=O)C2=CN(CC[NH+](C)C)N=C2)C(=O)[O-])=C1	REAL300003131307	0	47	0.0	-82.51	385.77	6.79	-75.72
COC1=CC=CC([C@H](NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C(=O)[O-])=C1	REAL300003131311	0	56	0.0	-70.99	434.28	8.63	-62.36
COC1=CC=CC([C@H](NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(=O)[O-])=C1	REAL300003131313	0	53	0.0	-71.42	418.12	8.67	-62.75
COC1=CC=CC([C@H](NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(=O)[O-])=C1	REAL300003131313	1	53	0.0	-64.09	409.74	8.80	-55.29
COC1=CC=CC([C@H](NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])=C1	REAL300003131318	1	51	0.0	-60.14	397.50	9.77	-50.37
COC1=CC=CC([C@H](NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(=O)[O-])=C1	REAL300003131318	1	51	0.0	-59.42	400.44	9.62	-49.80
COC1=CC=CC([C@H](NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300003131337	0	54	0.0	-76.23	427.11	10.48	-65.75
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O=C([O-])C1C2=C(CCN1C(=O)C1=NOC(C[NH+]3CCCC3)=C1)OC=C2	REAL300003149012	1	44	0.0	-74.81	350.32	8.54	-66.27
C[NH+](C)CCC1=CC=C(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=C1	REAL300003149013	0	47	0.0	-93.53	368.16	10.19	-83.34
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149019	1	40	0.0	-65.59	320.23	6.65	-58.94
O=C([O-])C1C2=C(CCN1C(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)OC=C2	REAL300003149020	1	49	0.0	-79.93	370.57	9.83	-70.10
O=C([O-])C1C2=C(CCN1C(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)OC=C2	REAL300003149020	1	49	0.0	-63.82	373.79	9.92	-53.90
CC(C(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003149029	0	57	0.0	-71.06	419.34	12.29	-58.77
C[N@H+](CC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])CC(C)(C)C	REAL300003149069	0	46	0.0	-67.44	340.81	8.81	-58.63
C[N@@H+](CC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])CC(C)(C)C	REAL300003149069	1	46	0.0	-68.13	340.47	8.79	-59.34
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149071	0	47	0.0	-71.39	369.81	10.68	-60.71
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149071	1	47	0.0	-71.40	369.81	10.68	-60.72
COCCOCC[N@H+](C)CCC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149072	0	51	0.0	-74.25	398.94	6.96	-67.29
COCCOCC[N@@H+](C)CCC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149072	1	51	0.0	-77.41	398.99	6.95	-70.46
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300003149075	0	45	0.0	-71.85	330.64	6.30	-65.55
C[N@H+]1CCCC(O)(CC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300003149075	1	45	0.0	-76.28	327.88	6.41	-69.87
O=C([O-])C1C2=C(CCN1C(=O)CCC[NH+]1CCN(C3=CC=CC=C3)CC1)OC=C2	REAL300003149085	0	56	0.0	-82.20	423.88	10.26	-71.94
CCCCCC[N@H+](C)CC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149087	0	49	0.0	-69.79	374.40	9.99	-59.80
CCCCCC[N@@H+](C)CC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149087	1	49	0.0	-69.67	374.39	9.99	-59.68
O=C([O-])C1C2=C(CCN1C(=O)C1=CC3=C[NH+]=CN3C=C1)OC=C2	REAL300003149101	1	36	0.0	-84.40	305.54	9.65	-74.75
C[N@H+](CC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1CCSC1	REAL300003149117	0	42	0.0	-71.31	330.01	8.49	-62.82
C[N@@H+](CC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])C1CCSC1	REAL300003149117	1	42	0.0	-73.98	330.02	8.47	-65.51
CC(C)[NH+]1CCN(CCC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300003149130	0	52	0.0	-76.62	386.03	7.48	-69.14
CC(C)N1CC[NH+](CCC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300003149130	1	52	0.0	-75.64	384.83	7.32	-68.32
CC(C)[NH+]1CCN(CCCC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300003149131	0	55	0.0	-76.19	407.66	8.30	-67.89
CC(C)N1CC[NH+](CCCC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300003149131	1	55	0.0	-78.13	403.43	7.94	-70.19
O=C([O-])C1C2=C(CCN1C(=O)C1CCCC3CCC[N@@H+]31)OC=C2	REAL300003149132	0	45	0.0	-62.81	334.83	8.84	-53.97
O=C([O-])C1C2=C(CCN1C(=O)C1CCCC3CCC[N@H+]31)OC=C2	REAL300003149132	1	45	0.0	-67.99	323.29	8.20	-59.79
C[NH+](C)CCN1C=C(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=N1	REAL300003149134	0	44	0.0	-93.63	352.01	7.44	-86.19
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])CC2)=C1	REAL300003149137	0	56	0.0	-78.64	424.87	10.31	-68.33
O=C([O-])C1C2=C(CCN1C(=O)CC[NH+]1CCN(C3=CC=CC=C3)CC1)OC=C2	REAL300003149139	0	53	0.0	-79.31	402.88	9.51	-69.80
O=C([O-])C1C2=C(CCN1C(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)OC=C2	REAL300003149141	0	50	0.0	-79.90	385.72	9.55	-70.35
O=C([O-])C1C2=C(CCN1C(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)OC=C2	REAL300003149141	1	50	0.0	-58.69	373.66	9.42	-49.27
CC(C(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003149146	1	48	0.0	-69.81	365.39	10.57	-59.24
CC(C(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003149146	1	48	0.0	-46.72	366.26	10.60	-36.12
O=C([O-])C1C2=C(CCN1C(=O)CC1CC[N@H+](CC3=CC=CC=C3)C1)OC=C2	REAL300003149167	0	51	0.0	-82.03	392.70	11.33	-70.70
O=C([O-])C1C2=C(CCN1C(=O)CC1CC[N@@H+](CC3=CC=CC=C3)C1)OC=C2	REAL300003149167	1	51	0.0	-81.75	393.66	11.32	-70.43
C[NH+](C)CCN1C=CC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=N1	REAL300003149181	0	44	0.0	-74.87	351.57	7.95	-66.92
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149182	0	44	0.0	-62.93	349.34	7.41	-55.52
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149183	1	45	0.0	-68.92	356.76	9.53	-59.39
CC[C@@H]1[C@@H](C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC[N@@H+]1C	REAL300003149186	0	44	0.0	-77.15	328.16	7.88	-69.27
CC[C@@H]1[C@@H](C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC[N@H+]1C	REAL300003149186	1	44	0.0	-75.05	332.12	8.24	-66.81
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=NN1	REAL300003149189	1	45	0.0	-75.25	353.25	7.64	-67.61
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=NN1	REAL300003149189	1	45	0.0	-71.64	354.12	7.61	-64.03
CC1C[N@H+](C)CC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])O1	REAL300003149196	1	42	0.0	-88.37	322.18	7.17	-81.20
CC1C[N@@H+](C)CC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])O1	REAL300003149196	1	42	0.0	-81.60	325.71	7.27	-74.33
O=C([O-])C1C2=C(CCN1C(=O)C1CCC[N@H+](CC3=CC=CC(F)=C3)C1)OC=C2	REAL300003149200	0	51	0.0	-79.85	397.21	11.38	-68.47
O=C([O-])C1C2=C(CCN1C(=O)C1CCC[N@@H+](CC3=CC=CC(F)=C3)C1)OC=C2	REAL300003149200	1	51	0.0	-57.95	385.22	11.34	-46.61
CC(C[NH+]1CCOCC1)C(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149205	1	45	0.0	-76.60	340.84	6.71	-69.89
O=C([O-])C1C2=C(CCN1C(=O)CC[NH+]1CCN(C3=CC=CC=N3)CC1)OC=C2	REAL300003149206	0	52	0.0	-78.71	400.14	8.88	-69.83
CC1CC[NH+](CC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300003149216	0	44	0.0	-68.63	333.40	8.75	-59.88
CC[N@@H+]1CCOC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300003149229	1	42	0.0	-85.00	318.89	7.09	-77.91
CC[N@H+]1CCOC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300003149229	1	42	0.0	-85.04	318.76	7.08	-77.96
O=C([O-])C1C2=C(CCN1C(=O)C1CC[N@@H+](C3CCCCC3)C1)OC=C2	REAL300003149261	0	51	0.0	-75.39	369.95	9.94	-65.45
O=C([O-])C1C2=C(CCN1C(=O)C1CC[N@H+](C3CCCCC3)C1)OC=C2	REAL300003149261	1	51	0.0	-74.70	371.05	9.86	-64.84
C[N@@H+]1CCCC1CCC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149268	0	44	0.0	-81.26	337.57	8.66	-72.60
C[N@H+]1CCCC1CCC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149268	1	44	0.0	-74.60	332.74	8.34	-66.26
O=C([O-])C1C2=C(CCN1C(=O)C1CCC3CCCC[N@@H+]31)OC=C2	REAL300003149280	0	45	0.0	-65.35	334.33	8.89	-56.46
O=C([O-])C1C2=C(CCN1C(=O)C1CCC3CCCC[N@H+]31)OC=C2	REAL300003149280	1	45	0.0	-68.06	330.44	8.59	-59.47
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])=C2)CC1	REAL300003149294	0	53	0.0	-89.10	401.31	8.67	-80.43
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])C=C2)CC1	REAL300003149295	0	53	0.0	-85.92	403.41	8.59	-77.33
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])C=C2)CC1	REAL300003149295	1	53	0.0	-92.15	403.74	8.65	-83.50
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=C1	REAL300003149296	0	54	0.0	-89.37	410.59	10.47	-78.90
CC(C)[NH+]1CCC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300003149304	0	47	0.0	-78.24	348.46	8.97	-69.27
O=C([O-])C1C2=C(CCN1C(=O)C13CC[N@H+](C1)CCC3)OC=C2	REAL300003149377	0	42	0.0	-79.41	303.99	7.00	-72.41
O=C([O-])C1C2=C(CCN1C(=O)C13CC[N@@H+](C1)CCC3)OC=C2	REAL300003149377	1	42	0.0	-79.47	304.00	7.00	-72.47
O=C([O-])C1C2=C(CCN1C(=O)C1=CC=C(C[NH+]3CCC(CO)CC3)C=C1)OC=C2	REAL300003149413	0	55	0.0	-95.55	418.92	8.51	-87.04
CC1CCC(C)[NH+]1CC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149420	0	44	0.0	-64.38	327.84	8.15	-56.23
C[NH+](C)CC1=CC=CC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=C1	REAL300003149421	0	44	0.0	-95.40	345.65	9.34	-86.06
O=C([O-])C1C2=C(CCN1C(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)OC=C2	REAL300003149422	0	51	0.0	-70.49	382.48	11.52	-58.97
O=C([O-])C1C2=C(CCN1C(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)OC=C2	REAL300003149422	1	51	0.0	-79.80	379.19	11.14	-68.66
C#CC[NH+]1CCC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300003149473	0	43	0.0	-82.87	339.32	8.99	-73.88
CC[NH+]1CCN(CCC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300003149475	0	49	0.0	-78.40	369.28	6.97	-71.43
CCN1CC[NH+](CCC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300003149475	1	49	0.0	-75.56	368.18	6.78	-68.78
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149482	1	45	0.0	-67.78	356.23	9.48	-58.30
CC(C(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])[NH+]1CCCCCC1	REAL300003149513	0	47	0.0	-62.33	336.81	8.56	-53.77
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])=CC=C1N2	REAL300003149548	1	49	0.0	-81.62	380.64	9.67	-71.95
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])=CC=C1N2	REAL300003149548	1	49	0.0	-95.93	381.63	9.67	-86.26
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])O1	REAL300003149592	0	47	0.0	-55.77	367.50	9.38	-46.39
O=C([O-])C1C2=C(CCN1C(=O)CCCC[NH+]1CCCC1)OC=C2	REAL300003149593	0	47	0.0	-79.09	361.99	9.62	-69.47
CC1=CC=C(N2CCC(C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])CC2)[NH+]=C1	REAL300003149595	1	50	0.0	-77.58	384.39	9.25	-68.33
C[N@H+](CC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])CC1=CC=CC=C1	REAL300003149596	1	44	0.0	-72.01	347.32	9.84	-62.17
C[N@@H+](CC(=O)N1CCC2=C(C=CO2)C1C(=O)[O-])CC1=CC=CC=C1	REAL300003149596	1	44	0.0	-72.33	347.34	9.83	-62.50
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])C=C2)CC1	REAL300003149600	0	56	0.0	-90.31	413.72	9.71	-80.60
O=C([O-])C1C2=C(CCN1C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)OC=C2	REAL300003149616	1	39	0.0	-58.78	324.12	7.31	-51.47
C[NH+](C)CC1=CC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=NO1	REAL300003149640	1	40	0.0	-76.46	326.03	7.46	-69.00
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149644	0	51	0.0	-75.20	387.67	11.37	-63.83
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149644	1	51	0.0	-76.10	387.29	11.33	-64.77
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149662	0	44	0.0	-65.18	328.88	8.17	-57.01
CC(C)[N@H+]1CCCC1C(=O)N1CCC2=C(C=CO2)C1C(=O)[O-]	REAL300003149662	1	44	0.0	-66.95	325.28	8.02	-58.93
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=C1	REAL300003149669	0	52	0.0	-74.53	411.98	10.77	-63.76
C[NH+]1CCC(OCC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300003149684	0	45	0.0	-84.47	350.63	8.43	-76.04
O=C([O-])C1C2=C(CCN1C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)OC=C2	REAL300003149690	0	48	0.0	-60.63	371.98	9.70	-50.93
CCC[N@@H+]1CCCC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300003149838	0	47	0.0	-77.25	354.62	9.21	-68.04
CCC[N@H+]1CCCC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300003149838	1	47	0.0	-77.37	354.54	9.20	-68.17
O=C([O-])C1C2=C(CCN1C(=O)C[NH+]1CCC(CO)CC1)OC=C2	REAL300003149866	1	45	0.0	-69.07	344.24	5.44	-63.63
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300003150052	0	47	0.0	-74.02	348.00	8.80	-65.22
CC(C)[N@H+]1CCCC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300003150052	1	47	0.0	-55.31	347.25	8.93	-46.38
C[N@@H+]1CC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C(C(F)(F)F)C1	REAL300003150053	0	41	0.0	-81.62	317.04	7.93	-73.69
C[N@H+]1CC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C(C(F)(F)F)C1	REAL300003150053	1	41	0.0	-77.93	320.86	7.49	-70.44
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])N1	REAL300003150075	1	42	0.0	-69.00	340.90	7.59	-61.41
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])=C1	REAL300003150473	0	47	0.0	-96.51	368.15	10.17	-86.34
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C=C1	REAL300003150481	0	48	0.0	-90.89	373.95	9.11	-81.78
O=C([O-])C1C2=C(CCN1C(=O)CC1CC[NH+](CC3=CC=CC=C3)CC1)OC=C2	REAL300003150574	0	54	0.0	-78.61	410.49	12.27	-66.34
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])C=C2)CCO1	REAL300003150576	1	52	0.0	-92.61	400.66	9.46	-83.15
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])C=C2)CCO1	REAL300003150576	1	52	0.0	-93.22	399.85	9.57	-83.65
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])CC1	REAL300003150606	0	47	0.0	-54.33	337.06	8.66	-45.67
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4=C(C=CO4)C3C(=O)[O-])=CN21	REAL300003150610	0	39	0.0	-76.88	326.80	9.37	-67.51
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300003150661	0	50	0.0	-62.36	362.56	9.72	-52.64
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300003150661	1	50	0.0	-56.30	369.49	9.83	-46.47
CC[N@@H+]1CCCC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300003150662	0	44	0.0	-75.47	331.94	8.34	-67.13
CC[N@H+]1CCCC(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])C1	REAL300003150662	1	44	0.0	-72.55	331.86	8.33	-64.22
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=C(C=CO3)C2C(=O)[O-])O1	REAL300003150668	1	41	0.0	-61.56	331.48	7.93	-53.63
O=C([O-])C1C2=C(CCN1C(=O)C13CC(C1)C[N@@H+]3C1CC1)OC=C2	REAL300003150676	1	43	0.0	-70.45	325.15	8.38	-62.07
O=C([O-])C1C2=C(CCN1C(=O)C13CC(C1)C[N@H+]3C1CC1)OC=C2	REAL300003150676	1	43	0.0	-47.60	325.30	8.84	-38.76
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)(C1CC1)C1CC1	REAL300003150754	0	50	0.0	-46.64	344.84	9.09	-37.55
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)(C1CC1)C1CC1	REAL300003150754	1	50	0.0	-47.10	350.35	8.98	-38.12
CCC(CCC1=CC=CC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003150858	0	52	0.0	-48.76	392.59	10.55	-38.21
CCC(CCC1=CC=CC=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003150858	1	52	0.0	-48.38	387.15	10.60	-37.78
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)CC2	REAL300003151908	0	54	0.0	-50.97	411.47	12.80	-38.17
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CC2	REAL300003152470	0	51	0.0	-71.46	392.64	12.21	-59.25
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CC2	REAL300003152470	1	51	0.0	-70.32	390.32	12.14	-58.18
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CC[NH+](C3CC3)CC1)CC2	REAL300003153310	0	48	0.0	-47.14	360.07	10.47	-36.67
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CCC[N@@H+]1C1CC1)CC2	REAL300003153335	0	45	0.0	-71.30	342.15	9.63	-61.67
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CCC[N@H+]1C1CC1)CC2	REAL300003153335	1	45	0.0	-67.30	337.08	9.74	-57.56
CC1=[NH+]C=C2CCC(C(=O)N3CCC4=C(F)C=CC(C(=O)[O-])=C4C3)CN12	REAL300003153341	1	46	0.0	-44.33	358.73	10.30	-34.03
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)CC2	REAL300003153342	0	54	0.0	-71.70	399.87	12.00	-59.70
C[N@@H+]1CCCCC1C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003153422	0	44	0.0	-66.36	330.21	9.21	-57.15
C[N@H+]1CCCCC1C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003153422	1	44	0.0	-66.75	331.02	9.22	-57.53
CC(C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)N1CC[NH+](C)CC1	REAL300003153423	1	49	0.0	-74.61	360.49	7.38	-67.23
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003153463	0	44	0.0	-66.33	330.28	9.21	-57.12
C[N@H+]1CCCC[C@H]1C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003153463	1	44	0.0	-69.41	318.30	8.64	-60.77
C[NH+]1CCC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)CC1	REAL300003153550	0	44	0.0	-81.46	335.40	9.30	-72.16
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CN3C=[NH+]C=C3C=C1)CC2	REAL300003153580	0	39	0.0	-51.11	319.93	10.82	-40.29
C[NH+](C)CC1(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)CCCCC1	REAL300003153614	0	53	0.0	-77.09	361.08	10.53	-66.56
C[N@H+](CCC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)C1CCCCC1	REAL300003153619	0	53	0.0	-77.47	389.45	11.31	-66.16
C[N@@H+](CCC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)C1CCCCC1	REAL300003153619	1	53	0.0	-77.56	389.45	11.32	-66.24
C[N@@H+]1CCCC1C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003153636	0	41	0.0	-68.83	310.85	8.46	-60.37
C[N@H+]1CCCC1C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003153636	1	41	0.0	-67.95	316.20	8.58	-59.37
C[NH+]1CCC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)CC1	REAL300003153692	0	44	0.0	-81.46	335.40	9.30	-72.16
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)CC2	REAL300003153696	0	47	0.0	-82.81	376.51	9.90	-72.91
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CCCC[N@@H+]1C1CCCC1)CC2	REAL300003153716	0	54	0.0	-65.24	385.81	11.41	-53.83
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CCCC[N@H+]1C1CCCC1)CC2	REAL300003153716	1	54	0.0	-67.60	382.32	11.30	-56.30
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CCC([NH+]3CCOCC3)CC1)CC2	REAL300003153717	0	55	0.0	-51.79	401.80	9.82	-41.97
CC1=[NH+]C=CN1CCCC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003153753	1	45	0.0	-74.22	362.00	10.64	-63.58
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)CCCC[NH+]1CCOCC1)CC2	REAL300003153754	1	51	0.0	-81.85	389.30	9.32	-72.53
CC[N@H+](CC1=CC=C(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C=C1)C(C)C	REAL300003153757	0	56	0.0	-84.54	414.81	12.41	-72.13
CC[N@@H+](CC1=CC=C(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C=C1)C(C)C	REAL300003153757	1	56	0.0	-83.33	406.00	11.98	-71.35
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003153760	0	41	0.0	-71.35	309.78	8.22	-63.13
C[N@H+]1CCC[C@@H]1C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003153760	1	41	0.0	-68.46	313.61	8.55	-59.91
C[NH+](C)C1(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)CC1	REAL300003153769	0	41	0.0	-74.95	310.46	8.10	-66.85
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)CC2	REAL300003153815	0	51	0.0	-76.60	392.41	12.06	-64.54
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)CC2	REAL300003153815	1	51	0.0	-77.55	390.82	11.97	-65.58
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CC[NH+](C3CCSC3)CC1)CC2	REAL300003153816	0	52	0.0	-52.52	394.44	11.49	-41.03
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)CC1([NH+]3CCOCC3)CCCC1)CC2	REAL300003153840	0	55	0.0	-76.84	387.83	9.60	-67.24
CCC(C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)[NH+](CC)CC	REAL300003153844	0	49	0.0	-62.63	350.05	9.77	-52.86
CC(C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)[N@H+](C)CC1=CC=CC=C1	REAL300003153846	0	50	0.0	-72.25	384.32	11.68	-60.57
CC(C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003153846	1	50	0.0	-71.62	382.55	11.59	-60.03
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C=N1	REAL300003153879	0	46	0.0	-85.49	363.18	8.98	-76.51
CCC[NH+](CCC)CCCC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003153885	0	55	0.0	-77.53	409.12	11.65	-65.88
CC[N@H+](C)C(C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300003153886	0	50	0.0	-64.48	373.70	11.43	-53.05
CC[N@@H+](C)C(C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300003153886	1	50	0.0	-64.22	377.36	11.52	-52.70
C[N@@H+]1CCOC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003153888	1	42	0.0	-89.15	321.45	7.88	-81.27
C[N@H+]1CCOC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003153888	1	42	0.0	-75.11	314.31	7.67	-67.44
CC[NH+](CC)C(C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)C1=CC=CC=C1	REAL300003153890	0	53	0.0	-67.86	388.09	11.89	-55.97
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003153899	1	45	0.0	-67.37	356.72	10.42	-56.95
C[NH+](C)C(C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)C1=CC=C(Cl)C=C1	REAL300003153904	1	47	0.0	-68.67	372.49	11.29	-57.38
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)CC2	REAL300003153917	0	51	0.0	-54.47	392.12	11.96	-42.51
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)CC2	REAL300003153924	0	54	0.0	-57.37	410.26	12.72	-44.65
C[NH+](C)CC1(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)CC1	REAL300003153928	0	44	0.0	-71.70	338.71	9.22	-62.48
C[NH+](C)CCCCC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003153937	0	46	0.0	-80.07	356.40	9.87	-70.20
CC(C)C(C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)[NH+](C)C	REAL300003153946	0	46	0.0	-70.71	330.76	9.05	-61.66
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)CC2	REAL300003153959	0	54	0.0	-68.40	408.33	12.84	-55.56
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)CC2	REAL300003153959	1	54	0.0	-70.73	400.32	12.47	-58.26
CC1=C(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C=NN1C1=CC=[NH+]C=C1	REAL300003153961	1	45	0.0	-66.80	362.04	9.16	-57.64
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)CC2	REAL300003153969	0	54	0.0	-86.56	409.04	12.69	-73.87
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=NOC(C[NH+]3CCCC3)=C1)CC2	REAL300003153982	1	47	0.0	-63.79	372.78	10.15	-53.64
C[NH+](C)CCC1=CC=C(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C=C1	REAL300003153983	0	50	0.0	-89.77	389.97	11.68	-78.09
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003153994	1	43	0.0	-66.53	340.93	8.23	-58.30
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)CC2	REAL300003153996	1	52	0.0	-77.06	394.13	11.37	-65.69
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)CC2	REAL300003153996	1	52	0.0	-79.98	391.08	11.25	-68.73
CCC[N@H+](C)CC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003154005	0	43	0.0	-71.70	330.34	9.10	-62.60
CCC[N@@H+](C)CC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003154005	1	43	0.0	-71.59	330.34	9.10	-62.49
C[N@H+](CC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)C1CCC1	REAL300003154027	0	44	0.0	-68.69	337.32	9.67	-59.02
C[N@@H+](CC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)C1CCC1	REAL300003154027	1	44	0.0	-69.14	337.23	9.66	-59.48
CC(C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)[NH+]1CCSCC1	REAL300003154051	1	45	0.0	-70.78	346.83	9.60	-61.18
C[N@H+](CC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)CC(C)(C)C	REAL300003154056	0	49	0.0	-71.46	358.94	10.09	-61.37
C[N@@H+](CC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)CC(C)(C)C	REAL300003154056	1	49	0.0	-71.25	360.88	10.24	-61.01
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003154058	0	50	0.0	-74.54	390.24	12.13	-62.41
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003154058	1	50	0.0	-74.60	390.25	12.11	-62.49
COCCOCC[N@H+](C)CCC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003154059	0	54	0.0	-76.42	419.16	8.36	-68.06
COCCOCC[N@@H+](C)CCC(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003154059	1	54	0.0	-78.12	419.21	8.37	-69.75
CC[C@@H](C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1)[NH+](C)C	REAL300003154063	0	43	0.0	-70.68	319.45	8.64	-62.04
C[N@@H+]1CCCC(O)(CC(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003154065	0	48	0.0	-75.03	358.51	8.16	-66.87
C[N@H+]1CCCC(O)(CC(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003154065	1	48	0.0	-75.70	348.76	7.96	-67.74
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)CC2	REAL300003154086	1	53	0.0	-72.30	403.32	11.09	-61.21
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)CC2	REAL300003154086	1	53	0.0	-71.42	401.31	11.01	-60.41
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)CC2	REAL300003154087	1	53	0.0	-68.98	403.33	10.99	-57.99
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)CC2	REAL300003154087	1	53	0.0	-73.02	394.94	10.78	-62.24
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CC(C)[N@H+]1CCCC1C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003154766	1	47	0.0	-67.39	346.32	9.60	-57.79
C[NH+]1CCC(OCC(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)CC1	REAL300003154789	0	48	0.0	-84.67	370.98	9.86	-74.81
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)CC2	REAL300003154793	0	51	0.0	-44.64	393.44	11.37	-33.27
CCC[N@@H+]1CCCC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003154979	0	50	0.0	-75.11	374.00	10.62	-64.49
CCC[N@H+]1CCCC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003154979	1	50	0.0	-80.14	374.94	10.65	-69.49
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003155010	0	50	0.0	-68.30	370.75	10.65	-57.65
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2=C(F)C=CC(C(=O)[O-])=C2C1	REAL300003155010	1	50	0.0	-68.24	371.03	10.59	-57.65
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C[NH+]1CCC(CO)CC1)CC2	REAL300003155011	0	48	0.0	-72.60	364.76	6.85	-65.75
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003155236	0	50	0.0	-73.53	369.70	10.39	-63.14
CC(C)[N@H+]1CCCC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003155236	1	50	0.0	-77.26	369.73	10.45	-66.81
C[N@@H+]1CC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C(C(F)(F)F)C1	REAL300003155237	0	44	0.0	-78.14	340.30	9.58	-68.56
C[N@H+]1CC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C(C(F)(F)F)C1	REAL300003155237	1	44	0.0	-84.94	341.66	9.26	-75.68
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)N1	REAL300003155263	1	45	0.0	-69.95	362.21	9.05	-60.90
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)=C1	REAL300003155747	0	50	0.0	-62.97	391.18	11.68	-51.29
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C=C1	REAL300003155754	0	51	0.0	-85.81	397.28	10.62	-75.19
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003155890	0	44	0.0	-76.31	340.03	9.41	-66.90
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)CC1	REAL300003155894	0	50	0.0	-51.92	359.40	10.11	-41.81
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4=C(F)C=CC(C(=O)[O-])=C4C3)=CN12	REAL300003155898	0	42	0.0	-46.57	338.14	10.52	-36.05
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003155959	0	53	0.0	-44.77	382.16	11.39	-33.38
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003155959	1	53	0.0	-47.15	390.13	11.19	-35.96
CC[N@@H+]1CCCC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003155960	0	47	0.0	-68.82	345.07	10.03	-58.79
CC[N@H+]1CCCC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003155960	1	47	0.0	-64.01	343.83	10.02	-53.99
C[N@@H+]1CCCC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003155965	0	44	0.0	-76.91	335.42	9.21	-67.70
C[N@H+]1CCCC(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003155965	1	44	0.0	-72.29	323.04	9.01	-63.28
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)O1	REAL300003155967	1	44	0.0	-45.82	351.38	9.45	-36.37
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003155973	0	53	0.0	-81.24	362.36	9.82	-71.42
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(F)C=CC(C(=O)[O-])=C3C2)C1	REAL300003155973	1	53	0.0	-82.23	362.63	9.79	-72.44
O=C([O-])C1=CC=C(F)C2=C1CN(C(=O)C13CC(C1)C[N@H+]3C1CC1)CC2	REAL300003155976	1	46	0.0	-72.42	345.72	9.94	-62.48
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC3=C2OCC3)C1	REAL300003156003	1	42	0.0	-47.08	320.31	7.17	-39.91
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC3=C2OCC3)C1	REAL300003156003	1	42	0.0	-46.75	318.94	6.72	-40.03
CC1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC(F)(F)CC1	REAL300003156075	0	46	0.0	-50.97	339.72	8.11	-42.86
CC1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC(F)(F)CC1	REAL300003156075	1	46	0.0	-48.06	331.50	7.65	-40.41
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(F)(F)CC2)C1	REAL300003156142	0	43	0.0	-48.54	316.08	8.25	-40.29
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(F)(F)CC2)C1	REAL300003156142	1	43	0.0	-47.07	310.64	8.15	-38.92
COC1=CC=CC(CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(=O)[O-])=C1	REAL300003157034	0	57	0.0	-73.34	445.14	11.49	-61.85
COC1=CC=CC(CC(NC(=O)C2CC[NH+](C3CC3)CC2)C(=O)[O-])=C1	REAL300003158178	0	51	0.0	-67.49	393.72	9.07	-58.42
COC1=CC=CC(CC(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)C(=O)[O-])=C1	REAL300003158202	1	49	0.0	-61.70	391.93	8.94	-52.76
COC1=CC=CC(CC(NC(=O)C(C)N2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300003158268	1	52	0.0	-74.01	397.31	6.10	-67.91
COC1=CC=CC(CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C(=O)[O-])=C1	REAL300003158298	0	47	0.0	-63.99	353.60	7.58	-56.41
COC1=CC=CC(CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C(=O)[O-])=C1	REAL300003158298	1	47	0.0	-57.93	366.25	7.80	-50.13
COC1=CC=CC(CC(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300003158365	0	47	0.0	-71.31	368.89	7.86	-63.45
COC1=CC=CC(CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(=O)[O-])=C1	REAL300003158392	0	42	0.0	-73.76	354.28	9.77	-63.99
COC1=CC=CC(CC(NC(=O)C2(C[NH+](C)C)CCCCC2)C(=O)[O-])=C1	REAL300003158421	0	56	0.0	-47.65	406.69	9.48	-38.17
COC1=CC=CC(CC(NC(=O)CC[N@H+](C)C2CCCCC2)C(=O)[O-])=C1	REAL300003158425	0	56	0.0	-64.05	422.48	9.84	-54.21
COC1=CC=CC(CC(NC(=O)CC[N@@H+](C)C2CCCCC2)C(=O)[O-])=C1	REAL300003158425	1	56	0.0	-69.61	422.48	9.85	-59.76
COC1=CC=CC(CC(NC(=O)C2CCC[N@@H+]2C)C(=O)[O-])=C1	REAL300003158438	0	44	0.0	-56.19	350.61	7.25	-48.94
COC1=CC=CC(CC(NC(=O)C2CCC[N@H+]2C)C(=O)[O-])=C1	REAL300003158438	1	44	0.0	-61.73	350.16	7.24	-54.49
COC1=CC=CC(CC(NC(=O)C2CC[NH+](C)CC2)C(=O)[O-])=C1	REAL300003158485	0	47	0.0	-71.31	368.89	7.86	-63.45
COC1=CC=CC(CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(=O)[O-])=C1	REAL300003158488	0	50	0.0	-80.13	413.53	8.84	-71.29
COC1=CC=CC(CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C(=O)[O-])=C1	REAL300003158499	0	58	0.0	-54.48	427.88	8.36	-46.12
COC1=CC=CC(CC(NC(=O)CCCN2C=C[NH+]=C2C)C(=O)[O-])=C1	REAL300003158531	1	48	0.0	-71.09	395.03	9.16	-61.93
COC1=CC=CC(CC(NC(=O)CCCC[NH+]2CCOCC2)C(=O)[O-])=C1	REAL300003158532	1	54	0.0	-74.27	422.57	7.79	-66.48
CC[N@H+](CC1=CC=C(C(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])C=C1)C(C)C	REAL300003158534	0	59	0.0	-78.26	450.99	11.30	-66.96
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2=CC=CC(OC)=C2)C(=O)[O-])C=C1)C(C)C	REAL300003158534	1	59	0.0	-87.28	442.64	11.04	-76.24
COC1=CC=CC(CC(NC(=O)[C@H]2CCC[N@@H+]2C)C(=O)[O-])=C1	REAL300003158537	0	44	0.0	-63.02	350.40	7.33	-55.69
COC1=CC=CC(CC(NC(=O)[C@H]2CCC[N@H+]2C)C(=O)[O-])=C1	REAL300003158537	1	44	0.0	-58.78	341.69	6.74	-52.04
COC1=CC=CC(CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300003158573	0	54	0.0	-66.47	427.86	10.60	-55.87
COC1=CC=CC(CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300003158573	1	54	0.0	-69.66	427.26	10.64	-59.02
COC1=CC=CC(CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)C(=O)[O-])=C1	REAL300003158574	0	55	0.0	-73.99	427.85	10.15	-63.84
COC1=CC=CC(CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C(=O)[O-])=C1	REAL300003158598	0	58	0.0	-71.31	420.79	8.10	-63.21
CCC(C(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-])[NH+](CC)CC	REAL300003158602	0	52	0.0	-54.53	386.89	8.21	-46.32
COC1=CC=CC(CC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003158604	0	53	0.0	-56.12	419.02	10.26	-45.86
COC1=CC=CC(CC(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003158604	1	53	0.0	-55.99	419.02	10.23	-45.76
COC1=CC=CC(CC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(=O)[O-])=C1	REAL300003158624	0	49	0.0	-83.19	398.25	7.84	-75.35
CCC[NH+](CCC)CCCC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300003158628	0	58	0.0	-68.92	442.40	10.12	-58.80
COC1=CC=CC(CC(NC(=O)C2C[N@H+](C)CCO2)C(=O)[O-])=C1	REAL300003158630	1	45	0.0	-67.20	353.05	6.54	-60.66
COC1=CC=CC(CC(NC(=O)C2C[N@@H+](C)CCO2)C(=O)[O-])=C1	REAL300003158630	1	45	0.0	-75.60	354.34	6.55	-69.05
COC1=CC=CC(CC(NC(=O)CN2C=C[NH+]=C2C(C)C)C(=O)[O-])=C1	REAL300003158637	1	48	0.0	-55.86	389.72	9.00	-46.86
COC1=CC=CC(CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(=O)[O-])=C1	REAL300003158652	0	54	0.0	-81.63	427.26	10.85	-70.78
COC1=CC=CC(CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(=O)[O-])=C1	REAL300003158657	0	57	0.0	-74.70	444.03	11.55	-63.15
COC1=CC=CC(CC(NC(=O)C2(C[NH+](C)C)CC2)C(=O)[O-])=C1	REAL300003158660	0	47	0.0	-75.79	376.16	7.94	-67.85
COC1=CC=CC(CC(NC(=O)CCCC[NH+](C)C)C(=O)[O-])=C1	REAL300003158668	0	49	0.0	-77.18	389.48	8.38	-68.80
COC1=CC=CC(CC(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C(=O)[O-])=C1	REAL300003158689	1	48	0.0	-79.78	399.81	8.15	-71.63
COC1=CC=CC(CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(=O)[O-])=C1	REAL300003158692	0	57	0.0	-81.98	444.01	11.56	-70.42
COC1=CC=CC(CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(=O)[O-])=C1	REAL300003158703	1	50	0.0	-76.74	406.87	8.33	-68.41
COC1=CC=CC(CC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(=O)[O-])=C1	REAL300003158704	0	53	0.0	-85.11	424.70	10.60	-74.51
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300003158709	1	46	0.0	-56.88	372.75	7.32	-49.56
COC1=CC=CC(CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1	REAL300003158710	1	55	0.0	-67.07	423.38	9.85	-57.22
COC1=CC=CC(CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(=O)[O-])=C1	REAL300003158710	1	55	0.0	-77.51	421.97	9.72	-67.79
CCC[N@H+](C)CC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300003158717	0	46	0.0	-63.24	363.59	7.60	-55.64
CCC[N@@H+](C)CC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300003158717	1	46	0.0	-63.22	363.59	7.60	-55.62
COC1=CC=CC(CC(NC(=O)C[N@H+](C)C2CCC2)C(=O)[O-])=C1	REAL300003158731	0	47	0.0	-55.13	370.18	8.25	-46.88
COC1=CC=CC(CC(NC(=O)C[N@@H+](C)C2CCC2)C(=O)[O-])=C1	REAL300003158731	1	47	0.0	-54.24	370.29	8.25	-45.99
COC1=CC=CC(CC(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-])=C1	REAL300003158757	0	52	0.0	-56.58	393.84	8.81	-47.77
COC1=CC=CC(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-])=C1	REAL300003158757	1	52	0.0	-62.89	392.19	8.59	-54.30
COC1=CC=CC(CC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003158759	0	53	0.0	-65.80	423.50	10.63	-55.17
COC1=CC=CC(CC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003158759	1	53	0.0	-65.02	423.25	10.71	-54.31
COCCOCC[N@H+](C)CCC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300003158760	0	57	0.0	-65.02	452.23	6.87	-58.15
COCCOCC[N@@H+](C)CCC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300003158760	1	57	0.0	-65.07	452.25	6.88	-58.19
CC[C@@H](C(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-])[NH+](C)C	REAL300003158763	0	46	0.0	-59.01	354.71	7.20	-51.81
COC1=CC=CC(CC(NC(=O)CC2(O)CCC[N@H+](C)C2)C(=O)[O-])=C1	REAL300003158765	0	51	0.0	-72.26	382.04	6.44	-65.82
COC1=CC=CC(CC(NC(=O)CC2(O)CCC[N@@H+](C)C2)C(=O)[O-])=C1	REAL300003158765	1	51	0.0	-67.17	391.80	6.60	-60.57
CCCCCC[N@H+](C)CC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300003158777	0	55	0.0	-57.90	427.79	10.01	-47.89
CCCCCC[N@@H+](C)CC(=O)NC(CC1=CC=CC(OC)=C1)C(=O)[O-]	REAL300003158777	1	55	0.0	-57.79	427.79	10.01	-47.78
COC1=CC=CC(CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(=O)[O-])=C1	REAL300003158791	1	42	0.0	-76.93	354.74	9.72	-67.21
COC1=CC=CC(CC(NC(=O)C[N@H+](C)C2CCSC2)C(=O)[O-])=C1	REAL300003158801	0	48	0.0	-61.09	383.57	8.45	-52.64
COC1=CC=CC(CC(NC(=O)C[N@@H+](C)C2CCSC2)C(=O)[O-])=C1	REAL300003158801	1	48	0.0	-59.89	383.80	8.44	-51.45
COC1=CC=CC(CC(NC(=O)CCN2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300003158816	0	58	0.0	-69.72	439.65	7.37	-62.35
COC1=CC=CC(CC(NC(=O)CC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])=C1	REAL300003158816	1	58	0.0	-68.96	435.78	7.23	-61.73
COC1=CC=CC(CC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C(=O)[O-])=C1	REAL300003158817	0	61	0.0	-70.96	460.91	8.24	-62.72
COC1=CC=CC(CC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(=O)[O-])=C1	REAL300003158817	1	61	0.0	-73.84	457.52	7.95	-65.89
COC1=CC=CC(CC(NC(=O)C2CCCC3CCC[N@@H+]32)C(=O)[O-])=C1	REAL300003158818	0	51	0.0	-61.59	380.53	8.75	-52.84
COC1=CC=CC(CC(NC(=O)C2CCCC3CCC[N@H+]32)C(=O)[O-])=C1	REAL300003158818	1	51	0.0	-55.36	380.34	8.81	-46.55
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CC1CCC(C)[NH+]1CC(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300003163173	0	49	0.0	-70.21	377.35	8.59	-61.62
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)=C1	REAL300003163174	0	49	0.0	-76.13	398.33	9.76	-66.37
C[NH+](C)C1(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)CCC1	REAL300003163207	0	46	0.0	-71.56	344.63	7.46	-64.10
C#CC[NH+]1CCC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)CC1	REAL300003163230	0	48	0.0	-80.72	388.54	9.31	-71.41
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300003163232	0	52	0.0	-73.08	391.94	9.19	-63.89
CCC[N@H+]1CCCCC1C(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300003163232	1	52	0.0	-70.87	399.26	9.51	-61.36
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300003163233	0	49	0.0	-74.12	395.47	9.79	-64.33
CC[NH+]1CCN(CCC(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)CC1	REAL300003163235	0	54	0.0	-74.72	418.39	7.26	-67.46
CCN1CC[NH+](CCC(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)CC1	REAL300003163235	1	54	0.0	-76.80	418.91	7.28	-69.52
CC(C)[N@H+](C)CC(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300003163236	0	45	0.0	-71.54	354.72	7.77	-63.77
CC(C)[N@@H+](C)CC(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300003163236	1	45	0.0	-71.95	354.70	7.78	-64.17
CC(C)C(C(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1)[NH+]1CCCCC1	REAL300003163237	0	55	0.0	-67.87	404.66	9.98	-57.89
C[NH+](C)C(C(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1)C1=CC=CC=C1	REAL300003163238	1	49	0.0	-73.27	391.45	9.82	-63.45
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300003163245	1	50	0.0	-68.50	405.72	9.78	-58.72
O=C([O-])C1=CN=C(C2CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC2)S1	REAL300003163251	0	53	0.0	-70.23	399.53	9.92	-60.31
O=C([O-])C1=CN=C(C2CCN(C(=O)C3CCC[N@H+]3C3CCCC3)CC2)S1	REAL300003163251	1	53	0.0	-69.00	403.98	9.83	-59.17
CC[N@H+](CC(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1)C1CC1	REAL300003163253	0	46	0.0	-70.25	368.90	8.61	-61.64
CC[N@@H+](CC(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1)C1CC1	REAL300003163253	1	46	0.0	-72.54	361.88	8.17	-64.37
CC(C(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1)[NH+]1CCCCCC1	REAL300003163274	0	52	0.0	-69.62	388.01	9.02	-60.60
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300003163277	0	43	0.0	-70.04	342.06	7.34	-62.70
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300003163277	1	43	0.0	-73.76	338.71	7.11	-66.65
CC(C)(C)[NH2+]CC(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300003163340	0	45	0.0	-73.25	359.25	6.30	-66.95
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)O1	REAL300003163341	0	52	0.0	-77.93	416.39	9.70	-68.23
O=C([O-])C1=CN=C(C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)S1	REAL300003163342	0	52	0.0	-75.45	410.89	9.89	-65.56
C[N@H+](CC(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1)CC1=CC=CC=C1	REAL300003163344	1	49	0.0	-78.34	396.96	10.16	-68.18
C[N@@H+](CC(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1)CC1=CC=CC=C1	REAL300003163344	1	49	0.0	-78.57	396.99	10.17	-68.40
CC(C)[C@@H](C(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1)[NH+](C)C	REAL300003163352	0	48	0.0	-74.08	359.31	8.19	-65.89
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC2)S1	REAL300003163370	1	44	0.0	-80.83	376.66	7.69	-73.14
C[NH+](C)CC1=CC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)=NO1	REAL300003163388	1	45	0.0	-81.67	375.51	7.88	-73.79
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300003163401	0	49	0.0	-69.75	367.10	8.78	-60.97
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300003163401	1	49	0.0	-69.03	375.68	8.49	-60.54
C[NH+]1CCC(OCC(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)CC1	REAL300003163420	0	50	0.0	-80.11	400.19	8.75	-71.36
CCC[N@@H+]1CCCC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C1	REAL300003163564	0	52	0.0	-74.88	403.49	9.50	-65.38
CCC[N@H+]1CCCC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C1	REAL300003163564	1	52	0.0	-73.47	395.62	9.66	-63.81
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300003163587	0	52	0.0	-70.06	401.35	9.58	-60.48
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300003163587	1	52	0.0	-70.44	401.34	9.58	-60.86
O=C([O-])C1=CN=C(C2CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)S1	REAL300003163588	0	50	0.0	-75.67	393.68	5.75	-69.92
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C1	REAL300003163772	0	52	0.0	-66.89	389.40	9.38	-57.51
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C1	REAL300003163772	1	52	0.0	-66.92	389.49	9.38	-57.54
C[N@@H+]1CC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C(C(F)(F)F)C1	REAL300003163773	0	46	0.0	-86.77	367.49	8.46	-78.31
C[N@H+]1CC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C(C(F)(F)F)C1	REAL300003163773	1	46	0.0	-78.28	370.99	7.87	-70.41
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)N1	REAL300003163796	1	47	0.0	-69.51	390.58	7.90	-61.61
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)=C1	REAL300003164185	0	52	0.0	-75.75	421.38	10.61	-65.14
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C1	REAL300003164308	0	46	0.0	-76.78	369.39	8.33	-68.45
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)CC1	REAL300003164312	0	52	0.0	-73.38	389.08	9.03	-64.35
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C4=NC=C(C(=O)[O-])S4)CC3)=CN21	REAL300003164315	0	44	0.0	-74.35	376.43	9.71	-64.64
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C1	REAL300003164367	0	55	0.0	-69.48	412.52	10.22	-59.26
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C1	REAL300003164367	1	55	0.0	-73.19	420.83	10.18	-63.01
CC[N@@H+]1CCCC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C1	REAL300003164368	0	49	0.0	-68.41	372.99	8.84	-59.57
CC[N@H+]1CCCC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C1	REAL300003164368	1	49	0.0	-73.19	381.88	8.77	-64.42
C[N@@H+]1CCCC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C1	REAL300003164373	0	46	0.0	-77.43	364.75	8.12	-69.31
C[N@H+]1CCCC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C1	REAL300003164373	1	46	0.0	-74.06	363.41	8.05	-66.01
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)O1	REAL300003164375	1	46	0.0	-77.74	380.73	8.22	-69.52
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C1	REAL300003164381	0	55	0.0	-78.78	403.31	9.06	-69.72
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C1	REAL300003164381	1	55	0.0	-75.49	400.65	9.15	-66.34
O=C([O-])C1=CN=C(C2CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC2)S1	REAL300003164384	1	48	0.0	-68.87	371.00	9.35	-59.52
CC1(C)CCCC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300003165424	0	59	0.0	-79.09	414.95	12.79	-66.30
CC1(C)CCCC(NC(=O)C2CC[NH+](C3CC3)CC2)(C(=O)[O-])C1	REAL300003166722	0	53	0.0	-72.55	363.31	10.42	-62.13
CC1=[NH+]C=C2CCC(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)CN21	REAL300003166749	1	51	0.0	-66.10	353.53	10.03	-56.07
CC1=NC(C[NH+]2CCC(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)CC2)=CS1	REAL300003166812	1	58	0.0	-83.22	413.99	10.63	-72.59
CC(C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)N1CC[NH+](C)CC1	REAL300003166813	1	54	0.0	-69.18	364.81	7.29	-61.89
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=C1	REAL300003166884	0	62	0.0	-84.40	447.95	12.32	-72.08
CC1(C)CCCC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)(C(=O)[O-])C1	REAL300003166940	0	44	0.0	-73.44	324.03	11.08	-62.36
C[NH+](C)CC1(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CCCCC1	REAL300003166968	0	58	0.0	-65.79	354.75	10.70	-55.09
C[N@H+](CCC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1CCCCC1	REAL300003166972	0	58	0.0	-69.38	392.27	11.17	-58.21
C[N@@H+](CCC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1CCCCC1	REAL300003166972	1	58	0.0	-70.15	392.27	11.16	-58.99
CC1(C)CCCC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)(C(=O)[O-])C1	REAL300003167031	0	52	0.0	-83.54	382.26	10.25	-73.29
CC1(C)CCCC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)(C(=O)[O-])C1	REAL300003167046	0	60	0.0	-54.18	395.75	9.49	-44.69
CC1=[NH+]C=CN1CCCC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167073	1	50	0.0	-70.94	364.86	10.48	-60.46
CC1(C)CCCC(NC(=O)CCCC[NH+]2CCOCC2)(C(=O)[O-])C1	REAL300003167074	1	56	0.0	-77.86	392.14	9.15	-68.71
CC[N@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=C1)C(C)C	REAL300003167075	0	61	0.0	-85.34	417.17	12.55	-72.79
CC[N@@H+](CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=C1)C(C)C	REAL300003167075	1	61	0.0	-86.09	412.57	12.40	-73.69
CC1(C)CCCC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300003167095	0	56	0.0	-66.11	396.11	11.91	-54.20
CC1(C)CCCC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300003167095	1	56	0.0	-67.33	398.88	12.05	-55.28
CC1(C)CCCC(NC(=O)C2CC[NH+](C3CCSC3)CC2)(C(=O)[O-])C1	REAL300003167096	0	57	0.0	-77.22	393.67	11.19	-66.03
CC1(C)CCCC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)(C(=O)[O-])C1	REAL300003167124	0	60	0.0	-70.52	389.22	9.16	-61.36
CCC(C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[NH+](CC)CC	REAL300003167128	0	54	0.0	-56.29	354.45	9.60	-46.69
CC(C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[N@H+](C)CC1=CC=CC=C1	REAL300003167130	0	55	0.0	-60.61	380.81	11.33	-49.28
CC(C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003167130	1	55	0.0	-60.66	380.27	11.35	-49.31
CC1(C)CCCC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300003167137	0	62	0.0	-72.88	429.07	13.38	-59.50
CC1(C)CCCC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300003167137	1	62	0.0	-72.82	429.08	13.38	-59.44
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=N1	REAL300003167151	0	51	0.0	-84.08	367.79	9.61	-74.47
CCC[NH+](CCC)CCCC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167158	0	60	0.0	-71.96	415.74	11.77	-60.19
CC(C)C1=[NH+]C=CN1CC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167167	1	50	0.0	-60.16	359.20	10.25	-49.91
CC1(C)CCCC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)(C(=O)[O-])C1	REAL300003167181	0	56	0.0	-86.95	396.82	12.22	-74.73
CC1(C)CCCC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)(C(=O)[O-])C1	REAL300003167186	0	59	0.0	-78.04	413.57	12.92	-65.12
CCN1CCC([NH+]2CCC(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)CC2)CC1	REAL300003167191	0	67	0.0	-73.47	444.76	10.27	-63.20
CC1(C)CCCC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300003167210	1	60	0.0	-82.71	419.84	11.73	-70.98
CC1(C)CCCC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300003167210	1	60	0.0	-82.62	420.01	11.73	-70.89
CC1=C(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=NN1C1=CC=[NH+]C=C1	REAL300003167224	1	50	0.0	-82.25	368.03	9.38	-72.87
CC1(C)CCCC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)(C(=O)[O-])C1	REAL300003167227	0	59	0.0	-88.68	413.27	12.88	-75.80
CC1(C)CCCC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)(C(=O)[O-])C1	REAL300003167238	1	52	0.0	-80.34	377.27	9.72	-70.62
C[NH+](C)CCC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=C1	REAL300003167239	0	55	0.0	-90.62	394.50	11.91	-78.71
CNC1=[NH+]C(C)=CC=C1C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167245	1	48	0.0	-61.41	343.14	8.54	-52.87
CC1(C)CCCC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300003167246	1	57	0.0	-86.25	399.41	10.90	-75.35
CC1(C)CCCC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)(C(=O)[O-])C1	REAL300003167246	1	57	0.0	-60.47	398.72	11.01	-49.46
C[N@H+](CC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)CC(C)(C)C	REAL300003167294	0	54	0.0	-61.22	359.75	9.83	-51.39
C[N@@H+](CC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)CC(C)(C)C	REAL300003167294	1	54	0.0	-61.37	364.36	10.05	-51.32
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167296	0	55	0.0	-63.71	393.00	11.92	-51.79
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167296	1	55	0.0	-64.00	393.01	11.93	-52.07
COCCOCC[N@H+](C)CCC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167297	0	59	0.0	-68.45	421.97	8.19	-60.26
COCCOCC[N@@H+](C)CCC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167297	1	59	0.0	-72.09	422.03	8.18	-63.91
C[N@@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300003167300	0	53	0.0	-66.77	354.38	7.26	-59.51
C[N@H+]1CCCC(O)(CC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300003167300	1	53	0.0	-58.48	364.16	7.47	-51.01
CCCCCC[N@H+](C)CC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167311	0	57	0.0	-62.59	397.59	11.23	-51.36
CCCCCC[N@@H+](C)CC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167311	1	57	0.0	-62.27	397.59	11.25	-51.02
CC1(C)CCCC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)(C(=O)[O-])C1	REAL300003167325	1	44	0.0	-82.14	324.30	11.10	-71.04
C[N@H+](CC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1CCSC1	REAL300003167340	0	50	0.0	-67.17	353.38	9.72	-57.45
C[N@@H+](CC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)C1CCSC1	REAL300003167340	1	50	0.0	-65.08	353.14	9.73	-55.35
CC(C)[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300003167353	0	60	0.0	-73.95	409.22	8.74	-65.21
CC(C)N1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300003167353	1	60	0.0	-68.18	406.04	8.57	-59.61
CC(C)[NH+]1CCN(CCCC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300003167354	0	63	0.0	-73.17	430.72	9.54	-63.63
CC(C)N1CC[NH+](CCCC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300003167354	1	63	0.0	-72.41	427.22	9.34	-63.07
CC1(C)CCCC(NC(=O)C2CCCC3CCC[N@@H+]32)(C(=O)[O-])C1	REAL300003167355	0	53	0.0	-60.39	349.58	10.02	-50.37
CC1(C)CCCC(NC(=O)C2CCCC3CCC[N@H+]32)(C(=O)[O-])C1	REAL300003167355	1	53	0.0	-61.17	348.62	9.91	-51.26
C[NH+](C)CCN1C=C(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=N1	REAL300003167357	0	52	0.0	-84.06	378.17	9.10	-74.96
CC1(C)CCCC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300003167361	0	61	0.0	-72.39	426.68	10.90	-61.49
CC1(C)CCCC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)(C(=O)[O-])C1	REAL300003167363	0	58	0.0	-62.09	403.12	11.05	-51.04
CC1(C)CCCC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)(C(=O)[O-])C1	REAL300003167363	1	58	0.0	-61.08	400.75	10.93	-50.15
CC(C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003167368	1	56	0.0	-62.03	388.92	12.04	-49.99
CC(C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003167368	1	56	0.0	-59.34	383.27	11.68	-47.66
CC1(C)CCCC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300003167388	0	59	0.0	-75.94	418.81	12.75	-63.19
CC1(C)CCCC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300003167388	1	59	0.0	-76.99	417.96	12.73	-64.26
C[NH+](C)CCN1C=CC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=N1	REAL300003167401	0	52	0.0	-91.87	378.52	9.12	-82.75
C[NH+](C)CCN1N=CC=C1C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167402	0	52	0.0	-59.30	373.48	8.99	-50.31
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167403	1	53	0.0	-65.20	379.83	10.69	-54.51
CC[C@@H]1[C@@H](C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC[N@@H+]1C	REAL300003167406	0	52	0.0	-68.54	346.10	9.16	-59.38
CC[C@@H]1[C@@H](C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC[N@H+]1C	REAL300003167406	1	52	0.0	-74.26	347.00	9.30	-64.96
CC1C[N@H+](C)CC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)O1	REAL300003167416	1	50	0.0	-80.29	345.21	7.94	-72.35
CC1C[N@@H+](C)CC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)O1	REAL300003167416	1	50	0.0	-88.99	336.61	7.63	-81.36
CC1(C)CCCC(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)(C(=O)[O-])C1	REAL300003167420	0	59	0.0	-65.67	412.34	12.85	-52.82
CC1(C)CCCC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)(C(=O)[O-])C1	REAL300003167420	1	59	0.0	-69.71	412.92	12.58	-57.13
CC(C[NH+]1CCOCC1)C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167425	1	53	0.0	-70.13	365.20	8.29	-61.84
CC1(C)CCCC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)(C(=O)[O-])C1	REAL300003167426	0	60	0.0	-72.63	424.42	10.32	-62.31
CC1CC[NH+](CC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300003167436	0	52	0.0	-61.90	356.44	9.97	-51.93
CC[N@@H+]1CCOC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300003167449	1	50	0.0	-84.76	340.50	7.97	-76.79
CC[N@H+]1CCOC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300003167449	1	50	0.0	-53.84	342.20	8.38	-45.46
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300003167480	1	59	0.0	-78.90	416.12	11.23	-67.67
CC1(C)CCCC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300003167481	0	59	0.0	-70.16	400.45	11.43	-58.73
CC1(C)CCCC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)(C(=O)[O-])C1	REAL300003167481	1	59	0.0	-68.63	393.07	11.30	-57.33
C[N@@H+]1CCCC1CCC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167487	0	52	0.0	-72.21	361.26	10.06	-62.15
C[N@H+]1CCCC1CCC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167487	1	52	0.0	-71.43	355.36	9.58	-61.85
CC1(C)CCCC(NC(=O)C2CCC3CCCC[N@@H+]32)(C(=O)[O-])C1	REAL300003167499	0	53	0.0	-59.62	361.37	10.45	-49.17
CC1(C)CCCC(NC(=O)C2CCC3CCCC[N@H+]32)(C(=O)[O-])C1	REAL300003167499	1	53	0.0	-63.31	350.16	9.74	-53.57
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)=C2)CC1	REAL300003167513	0	61	0.0	-75.17	430.68	10.50	-64.67
C[NH+]1CCN(CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)C=C2)CC1	REAL300003167514	0	61	0.0	-87.43	430.62	10.50	-76.93
CN1CC[NH+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)C=C2)CC1	REAL300003167514	1	61	0.0	-89.32	430.09	10.37	-78.95
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=C1	REAL300003167515	0	62	0.0	-84.96	436.92	12.20	-72.76
CC(C)[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300003167523	0	55	0.0	-72.31	369.12	10.17	-62.14
CC1(C)CCCC(NC(=O)C23CC[N@H+](C2)CCC3)(C(=O)[O-])C1	REAL300003167596	0	50	0.0	-72.49	328.60	8.57	-63.92
CC1(C)CCCC(NC(=O)C23CC[N@@H+](C2)CCC3)(C(=O)[O-])C1	REAL300003167596	1	50	0.0	-85.21	328.50	8.65	-76.56
CC1CCC(C)[NH+]1CC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167636	0	52	0.0	-56.58	350.01	9.43	-47.15
C[NH+](C)CC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=C1	REAL300003167637	0	52	0.0	-77.24	371.95	11.05	-66.19
CC1(C)CCCC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300003167638	0	59	0.0	-67.43	406.45	12.51	-54.92
CC1(C)CCCC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)(C(=O)[O-])C1	REAL300003167638	1	59	0.0	-67.31	406.52	12.51	-54.80
C#CC[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300003167689	0	51	0.0	-77.25	363.63	10.42	-66.83
CC[NH+]1CCN(CCC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300003167691	0	57	0.0	-76.17	391.31	8.08	-68.09
CCN1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300003167691	1	57	0.0	-68.92	392.48	8.22	-60.70
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167698	1	53	0.0	-64.09	379.27	10.71	-53.38
CC(C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)[NH+]1CCCCCC1	REAL300003167729	0	55	0.0	-58.48	359.75	9.88	-48.60
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)=CC=C1N2	REAL300003167763	1	57	0.0	-85.74	406.80	11.50	-74.24
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)=CC=C1N2	REAL300003167763	1	57	0.0	-85.58	407.01	11.47	-74.11
CC[NH+](CC)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)O1	REAL300003167805	0	55	0.0	-82.85	394.10	10.77	-72.08
CC1(C)CCCC(NC(=O)CCCC[NH+]2CCCC2)(C(=O)[O-])C1	REAL300003167806	0	55	0.0	-75.13	385.20	10.89	-64.24
CC1=CC=C(N2CCC(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)CC2)[NH+]=C1	REAL300003167808	1	58	0.0	-76.26	399.46	10.40	-65.86
C[N@H+](CC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)CC1=CC=CC=C1	REAL300003167809	1	52	0.0	-65.34	370.53	11.07	-54.27
C[N@@H+](CC(=O)NC1(C(=O)[O-])CCCC(C)(C)C1)CC1=CC=CC=C1	REAL300003167809	1	52	0.0	-64.71	370.58	11.08	-53.63
CC1(C)CCCC(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)(C(=O)[O-])C1	REAL300003167828	1	47	0.0	-81.27	353.16	9.05	-72.22
C[NH+](C)CC1=CC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=NO1	REAL300003167851	1	48	0.0	-82.55	352.98	8.64	-73.91
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167855	0	59	0.0	-68.75	409.32	12.29	-56.46
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167855	1	59	0.0	-80.88	412.16	12.39	-68.49
CC(C)[N@@H+]1CCCC1C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167871	0	52	0.0	-62.83	324.50	8.76	-54.07
CC(C)[N@H+]1CCCC1C(=O)NC1(C(=O)[O-])CCCC(C)(C)C1	REAL300003167871	1	52	0.0	-59.89	352.00	9.66	-50.23
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=C1	REAL300003167878	0	60	0.0	-88.79	436.36	12.05	-76.74
C[NH+]1CCC(OCC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300003167892	0	53	0.0	-83.30	373.82	9.29	-74.01
CC1(C)CCCC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)(C(=O)[O-])C1	REAL300003167897	0	56	0.0	-84.10	400.00	11.30	-72.80
CCC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300003168046	0	55	0.0	-54.46	368.54	10.61	-43.85
CCC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300003168046	1	55	0.0	-69.61	377.60	10.58	-59.03
CC1(C)CCCC(NC(=O)C[NH+]2CCC(CO)CC2)(C(=O)[O-])C1	REAL300003168074	1	53	0.0	-62.72	366.61	6.65	-56.07
CC(C)[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300003168257	0	55	0.0	-54.58	365.91	10.53	-44.05
CC(C)[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300003168257	1	55	0.0	-67.27	364.32	10.11	-57.16
C[N@@H+]1CC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C(C(F)(F)F)C1	REAL300003168258	0	49	0.0	-71.52	341.67	8.90	-62.62
C[N@H+]1CC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C(C(F)(F)F)C1	REAL300003168258	1	49	0.0	-81.55	338.82	9.31	-72.24
CC1=C(C)[NH+]=C(CCC(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)N1	REAL300003168280	1	50	0.0	-64.48	364.11	8.85	-55.63
C[NH+](C)CCC1=CC=CC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)=C1	REAL300003168672	0	55	0.0	-80.43	394.48	11.89	-68.54
C[NH+](C)CCOC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C=C1	REAL300003168680	0	56	0.0	-86.34	401.80	10.85	-75.49
CC1(C)CCCC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)[O-])C1	REAL300003168774	0	62	0.0	-71.89	433.58	13.43	-58.46
CC1C[N@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)C=C2)CCO1	REAL300003168776	1	60	0.0	-89.20	419.35	11.25	-77.95
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)C=C2)CCO1	REAL300003168776	1	60	0.0	-89.31	419.31	11.25	-78.06
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)CC1	REAL300003168807	0	55	0.0	-54.36	364.88	10.18	-44.18
CC1=[NH+]C=C2C=CC(C(=O)NC3(C(=O)[O-])CCCC(C)(C)C3)=CN21	REAL300003168811	0	47	0.0	-70.10	345.44	10.85	-59.25
CC(C)C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300003168860	0	58	0.0	-67.36	386.59	11.03	-56.33
CC(C)C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300003168860	1	58	0.0	-56.23	388.19	11.43	-44.80
CC[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300003168861	0	52	0.0	-69.32	356.11	9.83	-59.49
CC[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)C1	REAL300003168861	1	52	0.0	-69.23	356.10	9.84	-59.39
C[NH+](C)CC1=CC=C(C(=O)NC2(C(=O)[O-])CCCC(C)(C)C2)O1	REAL300003168867	1	49	0.0	-86.44	358.41	9.42	-77.02
CC1(C)CCCC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)(C(=O)[O-])C1	REAL300003168875	1	51	0.0	-71.42	337.40	9.52	-61.90
CC1(C)CCCC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)(C(=O)[O-])C1	REAL300003168875	1	51	0.0	-68.88	343.46	10.40	-58.48
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3(CC3)C3=CC=C(Br)C=C32)C1	REAL300003168946	0	45	0.0	-42.75	356.28	10.64	-32.11
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3(CC3)C3=CC=C(Br)C=C32)C1	REAL300003168946	1	45	0.0	-42.24	358.19	11.09	-31.15
COC1(C(=O)[O-])CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300003170299	0	51	0.0	-78.47	382.43	9.35	-69.12
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300003171076	0	48	0.0	-62.30	365.74	8.81	-53.49
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300003171076	1	48	0.0	-61.65	359.60	8.29	-53.36
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300003171878	1	48	0.0	-64.76	382.48	9.32	-55.44
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300003171878	1	48	0.0	-64.21	376.53	8.81	-55.40
COC1(C(=O)[O-])CCN(C(=O)C2CCC3=C[NH+]=C(C)N3C2)C1	REAL300003171970	1	43	0.0	-65.59	332.39	6.87	-58.72
COC1(C(=O)[O-])CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300003171971	0	51	0.0	-68.98	371.22	8.65	-60.33
COC1(C(=O)[O-])CCN(C(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)C1	REAL300003172036	1	50	0.0	-77.81	389.79	7.11	-70.70
COC1(C(=O)[O-])CCN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300003172114	0	54	0.0	-78.12	415.75	9.04	-69.08
COC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300003172128	0	54	0.0	-76.78	413.62	10.94	-65.84
COC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C1	REAL300003172128	1	54	0.0	-77.41	413.57	10.93	-66.48
COC1(C(=O)[O-])CCN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300003172129	0	54	0.0	-67.06	386.46	9.27	-57.79
COC1(C(=O)[O-])CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1	REAL300003172212	0	50	0.0	-55.57	333.85	6.89	-48.68
COC1(C(=O)[O-])CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1	REAL300003172215	0	50	0.0	-71.54	360.09	7.90	-63.64
COC1(C(=O)[O-])CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1	REAL300003172215	1	50	0.0	-71.30	360.47	7.82	-63.48
COC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300003172239	1	51	0.0	-60.92	374.98	8.99	-51.93
COC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300003172239	1	51	0.0	-63.22	385.15	9.42	-53.80
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300003172240	1	48	0.0	-65.63	372.16	8.87	-56.76
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300003172240	1	48	0.0	-64.97	366.21	8.36	-56.61
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300003172294	0	44	0.0	-65.46	346.76	6.44	-59.02
COC1(C(=O)[O-])CCN(C(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)C1	REAL300003172299	0	54	0.0	-76.82	414.69	8.64	-68.18
COC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300003172325	0	51	0.0	-61.88	352.86	7.81	-54.07
COC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300003172325	1	51	0.0	-60.56	351.65	7.76	-52.80
COC1(C(=O)[O-])CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300003172326	0	52	0.0	-69.48	363.19	6.13	-63.35
COC1(C(=O)[O-])CCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300003172354	1	48	0.0	-75.43	360.44	5.85	-69.58
CC[N@H+](CC1=CC=C(C(=O)N2CCC(OC)(C(=O)[O-])C2)C=C1)C(C)C	REAL300003172356	0	53	0.0	-74.75	384.15	8.92	-65.83
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(OC)(C(=O)[O-])C2)C=C1)C(C)C	REAL300003172356	1	53	0.0	-74.61	375.74	8.52	-66.09
COC1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003172380	0	48	0.0	-71.64	364.30	8.58	-63.06
COC1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003172380	1	48	0.0	-69.50	365.02	8.62	-60.88
COC1(C(=O)[O-])CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300003172381	0	49	0.0	-77.73	362.12	7.77	-69.96
COC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C1	REAL300003172404	1	53	0.0	-68.24	388.49	6.57	-61.67
COC1(C(=O)[O-])CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300003172405	0	52	0.0	-70.54	358.82	6.12	-64.42
COC1(C(=O)[O-])CCN(C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C1	REAL300003172408	0	47	0.0	-65.39	355.56	8.16	-57.23
COC1(C(=O)[O-])CCN(C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C1	REAL300003172408	1	47	0.0	-65.90	355.43	8.12	-57.78
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300003172418	0	54	0.0	-64.05	395.95	10.20	-53.85
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300003172418	1	54	0.0	-55.72	396.11	10.29	-45.43
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C1	REAL300003172449	0	43	0.0	-74.36	331.12	5.40	-68.96
CCC[NH+](CCC)CCCC(=O)N1CCC(OC)(C(=O)[O-])C1	REAL300003172460	0	52	0.0	-71.75	380.27	8.18	-63.57
COC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300003172461	1	52	0.0	-53.09	381.13	5.53	-47.56
CC[N@H+](C)C(C(=O)N1CCC(OC)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003172462	0	47	0.0	-59.04	349.12	8.07	-50.97
CC[N@@H+](C)C(C(=O)N1CCC(OC)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003172462	1	47	0.0	-58.97	352.33	8.17	-50.80
CC[NH+](CC)C(C(=O)N1CCC(OC)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003172467	0	50	0.0	-62.02	359.93	8.89	-53.13
COC1(C(=O)[O-])CCN(C(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C1	REAL300003172473	1	44	0.0	-64.95	348.80	8.00	-56.95
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300003172487	0	48	0.0	-77.65	361.72	8.49	-69.16
COC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300003172494	0	51	0.0	-71.74	378.45	9.20	-62.54
CCN1CCC([NH+]2CCC(C(=O)N3CCC(OC)(C(=O)[O-])C3)CC2)CC1	REAL300003172500	0	59	0.0	-72.94	413.19	6.83	-66.11
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C1	REAL300003172507	1	55	0.0	-81.03	411.79	8.22	-72.81
COC1(C(=O)[O-])CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003172516	1	52	0.0	-79.36	396.30	8.82	-70.54
COC1(C(=O)[O-])CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003172516	1	52	0.0	-78.08	385.93	8.30	-69.78
COC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300003172530	0	51	0.0	-61.58	367.40	8.88	-52.70
COC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300003172530	1	51	0.0	-62.38	368.02	8.90	-53.48
COC1(C(=O)[O-])CCN(C(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C1	REAL300003172532	1	42	0.0	-76.65	335.26	5.76	-70.89
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300003172540	0	51	0.0	-77.95	378.47	9.20	-68.75
COC1(C(=O)[O-])CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300003172552	1	44	0.0	-74.96	343.72	6.61	-68.35
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C1	REAL300003172553	0	47	0.0	-82.50	359.07	8.09	-74.41
COC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003172561	1	49	0.0	-59.12	373.40	8.12	-51.00
COC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003172561	1	49	0.0	-71.13	364.91	7.89	-63.24
COC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2OCC[N@@H+]2CCCCC2C)C1	REAL300003172567	0	58	0.0	-58.66	415.03	10.34	-48.32
COC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2OCC[N@H+]2CCCCC2C)C1	REAL300003172567	1	58	0.0	-63.19	425.77	10.39	-52.80
COC1(C(=O)[O-])CCN(C(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)C1	REAL300003172575	0	57	0.0	-68.16	411.71	10.32	-57.84
COC1(C(=O)[O-])CCN(C(=O)C(C)[NH+]2CCSCC2)C1	REAL300003172607	1	42	0.0	-65.45	319.36	6.09	-59.36
COC1(C(=O)[O-])CCN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C1	REAL300003172614	0	47	0.0	-69.05	361.38	8.68	-60.37
COC1(C(=O)[O-])CCN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C1	REAL300003172614	1	47	0.0	-69.45	360.81	8.70	-60.75
COCCOCC[N@H+](C)CCC(=O)N1CCC(OC)(C(=O)[O-])C1	REAL300003172615	0	51	0.0	-69.33	391.04	4.88	-64.45
COCCOCC[N@@H+](C)CCC(=O)N1CCC(OC)(C(=O)[O-])C1	REAL300003172615	1	51	0.0	-72.03	390.25	4.85	-67.18
COC1(C(=O)[O-])CCN(C(=O)CC2(O)CCC[N@H+](C)C2)C1	REAL300003172618	0	45	0.0	-70.32	319.85	4.54	-65.78
COC1(C(=O)[O-])CCN(C(=O)CC2(O)CCC[N@@H+](C)C2)C1	REAL300003172618	1	45	0.0	-69.56	329.50	4.72	-64.84
COC1(C(=O)[O-])CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300003172626	0	56	0.0	-76.48	416.47	8.40	-68.08
COC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300003172627	1	50	0.0	-65.29	362.33	7.15	-58.14
COC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300003172627	1	50	0.0	-66.64	363.03	7.16	-59.48
COC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300003172628	1	50	0.0	-69.01	366.30	7.22	-61.79
COC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300003172628	1	50	0.0	-64.54	362.38	7.13	-57.41
CCCCCC[N@H+](C)CC(=O)N1CCC(OC)(C(=O)[O-])C1	REAL300003172629	0	49	0.0	-66.89	365.97	8.00	-58.89
CCCCCC[N@@H+](C)CC(=O)N1CCC(OC)(C(=O)[O-])C1	REAL300003172629	1	49	0.0	-67.58	365.41	8.02	-59.56
COC1(C(=O)[O-])CCN(C(=O)C[N@H+](C)C2CCSC2)C1	REAL300003172653	0	42	0.0	-71.63	321.41	6.42	-65.21
COC1(C(=O)[O-])CCN(C(=O)C[N@@H+](C)C2CCSC2)C1	REAL300003172653	1	42	0.0	-69.85	321.02	6.51	-63.34
COC1(C(=O)[O-])CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)C1	REAL300003172664	0	52	0.0	-69.86	377.60	5.44	-64.42
COC1(C(=O)[O-])CCN(C(=O)CC[NH+]2CCN(C(C)C)CC2)C1	REAL300003172664	1	52	0.0	-70.65	374.03	5.25	-65.40
COC1(C(=O)[O-])CCN(C(=O)CCCN2CC[NH+](C(C)C)CC2)C1	REAL300003172665	0	55	0.0	-72.22	398.53	6.28	-65.94
COC1(C(=O)[O-])CCN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)C1	REAL300003172665	1	55	0.0	-72.48	395.42	5.99	-66.49
COC1(C(=O)[O-])CCN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C1	REAL300003172667	0	44	0.0	-77.19	341.34	5.38	-71.81
COC1(C(=O)[O-])CCN(C(=O)CC[NH+]2CCN(C3=CC=CC(C)=C3)CC2)C1	REAL300003172672	0	56	0.0	-75.14	416.29	8.23	-66.91
COC1(C(=O)[O-])CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300003172674	0	53	0.0	-74.89	394.98	7.62	-67.27
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300003172678	0	50	0.0	-72.04	367.59	7.51	-64.53
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300003172678	1	50	0.0	-73.78	368.11	7.33	-66.45
COC1(C(=O)[O-])CCN(C(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300003172683	1	48	0.0	-63.00	359.81	8.60	-54.40
COC1(C(=O)[O-])CCN(C(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C1	REAL300003172683	1	48	0.0	-65.04	359.00	8.55	-56.49
CCC(CC)C(C(=O)N1CCC(OC)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300003172698	1	54	0.0	-58.12	365.10	6.34	-51.78
COC1(C(=O)[O-])CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003172711	0	51	0.0	-75.02	385.24	9.42	-65.60
COC1(C(=O)[O-])CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003172711	1	51	0.0	-76.70	386.94	9.50	-67.20
COC1(C(=O)[O-])CCN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C1	REAL300003172723	0	44	0.0	-81.02	343.80	5.97	-75.05
COC1(C(=O)[O-])CCN(C(=O)C2=CC=NN2CC[NH+](C)C)C1	REAL300003172724	0	44	0.0	-56.85	338.93	5.45	-51.40
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(OC)(C(=O)[O-])C1	REAL300003172729	1	45	0.0	-63.96	348.02	7.42	-56.54
COC1(C(=O)[O-])CCN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C1	REAL300003172732	1	45	0.0	-73.84	339.02	4.85	-68.99
COC1(C(=O)[O-])CCN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C1	REAL300003172732	1	45	0.0	-78.29	344.89	5.50	-72.79
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300003172743	0	51	0.0	-72.20	379.03	9.34	-62.86
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300003172743	1	51	0.0	-73.12	379.64	9.26	-63.86
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300003172744	1	47	0.0	-58.96	354.62	6.73	-52.23
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300003172744	1	47	0.0	-69.04	361.44	6.88	-62.16
COC1(C(=O)[O-])CCN(C(=O)C(C)C[NH+]2CCOCC2)C1	REAL300003172748	0	45	0.0	-72.52	332.76	4.86	-67.66
COC1(C(=O)[O-])CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300003172749	0	52	0.0	-74.80	392.62	6.98	-67.82
COC1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300003172796	0	51	0.0	-70.49	365.66	7.99	-62.50
COC1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300003172796	1	51	0.0	-64.88	364.00	8.04	-56.84
COC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300003172816	0	56	0.0	-70.32	412.77	8.36	-61.96
COC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300003172816	1	56	0.0	-73.03	412.38	8.67	-64.36
COC1(C(=O)[O-])CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1	REAL300003172823	0	48	0.0	-68.33	332.55	4.76	-63.57
COC1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](C(C)C)CC2C2=CN(C)N=C2)C1	REAL300003172826	0	57	0.0	-82.20	415.96	7.98	-74.22
COC1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](C(C)C)CC2C2=CN(C)N=C2)C1	REAL300003172826	1	57	0.0	-68.99	401.21	7.37	-61.62
COC1(C(=O)[O-])CCN(C(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C1	REAL300003172827	0	51	0.0	-77.65	374.56	6.51	-71.14
COC1(C(=O)[O-])CCN(C(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C1	REAL300003172827	1	51	0.0	-76.77	369.52	6.70	-70.07
COC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C1	REAL300003172833	0	53	0.0	-74.24	395.51	6.76	-67.48
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C1	REAL300003172834	0	53	0.0	-74.62	395.53	6.77	-67.85
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C1	REAL300003172834	1	53	0.0	-81.50	394.65	6.56	-74.94
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(OC)(C(=O)[O-])C2)C=C1	REAL300003172835	0	54	0.0	-66.60	400.73	8.43	-58.17
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300003172937	0	55	0.0	-80.55	410.15	6.50	-74.05
COC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C1	REAL300003172941	0	44	0.0	-72.95	336.89	7.34	-65.61
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003172942	0	51	0.0	-66.30	372.67	9.27	-57.03
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003172942	1	51	0.0	-69.35	378.80	9.18	-60.17
COC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2C[NH+](C)C)C1	REAL300003172998	0	44	0.0	-44.19	336.15	7.35	-36.84
CC[NH+]1CCN(CCC(=O)N2CCC(OC)(C(=O)[O-])C2)CC1	REAL300003173000	0	49	0.0	-71.48	360.35	4.89	-66.59
CCN1CC[NH+](CCC(=O)N2CCC(OC)(C(=O)[O-])C2)CC1	REAL300003173000	1	49	0.0	-70.72	360.79	4.93	-65.79
COC1(C(=O)[O-])CCN(C(=O)C(C(C)C)[NH+]2CCCCC2)C1	REAL300003173003	0	50	0.0	-62.30	348.13	7.94	-54.36
COC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C1	REAL300003173004	1	44	0.0	-61.56	332.08	7.48	-54.08
COC1(C(=O)[O-])CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003173008	0	49	0.0	-70.18	373.11	5.73	-64.45
COC1(C(=O)[O-])CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003173008	1	49	0.0	-64.61	373.93	5.72	-58.89
COC1(C(=O)[O-])CCN(C(=O)CCN2C=C[NH+]=C2C(C)C)C1	REAL300003173013	1	45	0.0	-62.72	348.29	7.42	-55.30
COC1(C(=O)[O-])CCN(C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C1	REAL300003173014	0	47	0.0	-59.67	364.37	8.14	-51.53
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300003173018	0	48	0.0	-65.14	338.18	7.86	-57.28
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300003173018	1	48	0.0	-58.31	330.07	7.20	-51.11
COC1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300003173041	1	49	0.0	-59.79	373.04	9.03	-50.76
COC1(C(=O)[O-])CCN(C(=O)C(C(C)C)[NH+]2CC(C)OC(C)C2)C1	REAL300003173042	1	54	0.0	-62.07	372.59	6.37	-55.70
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C1	REAL300003173069	1	49	0.0	-65.88	371.22	7.71	-58.17
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C1	REAL300003173069	1	49	0.0	-80.60	374.18	7.72	-72.88
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(OC)(C(=O)[O-])C2)O1	REAL300003173122	0	47	0.0	-73.20	356.21	7.11	-66.09
COC1(C(=O)[O-])CCN(C(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)C1	REAL300003173123	1	50	0.0	-57.24	375.68	7.18	-50.06
COC1(C(=O)[O-])CCN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C1	REAL300003173124	1	44	0.0	-69.52	338.96	7.83	-61.69
COC1(C(=O)[O-])CCN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C1	REAL300003173124	1	44	0.0	-70.08	338.34	7.86	-62.22
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)C1	REAL300003173127	0	56	0.0	-80.14	406.19	7.70	-72.44
COC1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300003173138	1	39	0.0	-75.75	316.34	5.32	-70.43
COC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C1	REAL300003173172	0	51	0.0	-71.22	383.67	9.28	-61.94
COC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C1	REAL300003173172	1	51	0.0	-79.61	384.53	9.17	-70.44
COC1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300003173190	0	52	0.0	-79.26	403.52	8.66	-70.60
COC1(C(=O)[O-])CCN(C(=O)COC2CC[NH+](C)CC2)C1	REAL300003173205	0	45	0.0	-77.40	342.13	6.40	-71.00
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300003173209	0	48	0.0	-74.00	365.45	7.80	-66.20
COC1(C(=O)[O-])CCN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C1	REAL300003173240	0	50	0.0	-69.65	375.74	7.36	-62.29
COC1(C(=O)[O-])CCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C1	REAL300003173240	1	50	0.0	-60.93	370.72	7.30	-53.63
COC1(C(=O)[O-])CCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300003173400	0	45	0.0	-67.08	335.49	3.35	-63.73
COC1(C(=O)[O-])CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300003173485	0	52	0.0	-73.70	384.91	9.45	-64.25
COC1(C(=O)[O-])CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300003173485	1	52	0.0	-58.70	388.70	9.45	-49.25
COC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300003173517	1	51	0.0	-65.40	377.79	9.13	-56.27
COC1(C(=O)[O-])CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300003173517	1	51	0.0	-67.62	384.74	9.34	-58.28
COC1(C(=O)[O-])CCN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C1	REAL300003173600	0	41	0.0	-72.41	315.19	5.53	-66.88
COC1(C(=O)[O-])CCN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C1	REAL300003173600	1	41	0.0	-77.53	322.37	5.84	-71.69
COC1(C(=O)[O-])CCN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C1	REAL300003174033	0	47	0.0	-74.48	359.38	8.18	-66.30
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C1	REAL300003174039	0	48	0.0	-68.39	365.51	7.09	-61.30
COC1(C(=O)[O-])CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300003174118	0	54	0.0	-70.80	401.84	10.16	-60.64
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C1	REAL300003174120	1	52	0.0	-69.48	382.12	7.40	-62.08
COC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C1	REAL300003174120	1	52	0.0	-82.71	383.92	7.43	-75.28
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@H+](CC(C)C)C2)C1	REAL300003174204	0	50	0.0	-71.67	352.84	7.72	-63.95
COC1(C(=O)[O-])CCN(C(=O)C2CCC[N@@H+](CC(C)C)C2)C1	REAL300003174204	1	50	0.0	-71.67	352.84	7.72	-63.95
COC1(C(=O)[O-])CCN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C1	REAL300003174212	0	50	0.0	-65.37	335.21	6.42	-58.95
COC1(C(=O)[O-])CCN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C1	REAL300003174212	1	50	0.0	-65.37	335.21	6.42	-58.95
O=C([O-])CCCCCCCCCCCNC(=O)C1CC[NH+](C2CC2)CC1	REAL300003175908	0	64	0.0	-75.32	478.88	12.61	-62.71
O=C([O-])CCCCCCCCCCCNC(=O)C1CCC[N@@H+]1C1CC1	REAL300003175932	0	61	0.0	-67.56	465.28	12.25	-55.31
O=C([O-])CCCCCCCCCCCNC(=O)C1CCC[N@H+]1C1CC1	REAL300003175932	1	61	0.0	-70.53	459.84	11.60	-58.93
CC1=[NH+]C=C2CCC(C(=O)NCCCCCCCCCCCC(=O)[O-])CN21	REAL300003175938	1	62	0.0	-68.47	477.06	12.49	-55.98
C[NH+](C)CC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176003	0	53	0.0	-73.16	409.43	9.74	-63.42
C[N@@H+]1CCCCC1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176004	0	60	0.0	-70.51	442.07	11.17	-59.34
C[N@H+]1CCCCC1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176004	1	60	0.0	-70.52	442.09	11.16	-59.36
CC(C(=O)NCCCCCCCCCCCC(=O)[O-])N1CC[NH+](C)CC1	REAL300003176005	1	65	0.0	-74.12	482.75	9.59	-64.53
C[N@@H+]1CCCC[C@H]1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176040	0	60	0.0	-69.56	451.38	11.33	-58.23
C[N@H+]1CCCC[C@H]1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176040	1	60	0.0	-70.57	442.10	11.17	-59.40
C[NH+]1CCC(C(=O)NCCCCCCCCCCCC(=O)[O-])CC1	REAL300003176098	0	60	0.0	-77.83	454.03	11.41	-66.42
O=C([O-])CCCCCCCCCCCNC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300003176128	0	55	0.0	-74.61	439.60	13.24	-61.37
C[NH+](C)CC1(C(=O)NCCCCCCCCCCCC(=O)[O-])CCCCC1	REAL300003176157	0	69	0.0	-74.77	497.91	13.11	-61.66
C[N@H+](CCC(=O)NCCCCCCCCCCCC(=O)[O-])C1CCCCC1	REAL300003176162	0	69	0.0	-75.79	507.84	13.33	-62.46
C[N@@H+](CCC(=O)NCCCCCCCCCCCC(=O)[O-])C1CCCCC1	REAL300003176162	1	69	0.0	-75.83	507.84	13.35	-62.48
C[N@@H+]1CCCC1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176176	0	57	0.0	-71.89	429.44	10.29	-61.60
C[N@H+]1CCCC1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176176	1	57	0.0	-71.99	429.46	10.30	-61.69
C[NH+]1CCC(C(=O)NCCCCCCCCCCCC(=O)[O-])CC1	REAL300003176226	0	60	0.0	-77.83	454.03	11.41	-66.42
O=C([O-])CCCCCCCCCCCNC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300003176238	0	70	0.0	-67.31	506.30	13.51	-53.80
O=C([O-])CCCCCCCCCCCNC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300003176238	1	70	0.0	-67.29	506.97	13.55	-53.74
CC1=[NH+]C=CN1CCCC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176268	1	61	0.0	-71.84	480.40	12.65	-59.19
O=C([O-])CCCCCCCCCCCNC(=O)CCCC[NH+]1CCOCC1	REAL300003176269	1	67	0.0	-78.72	507.70	11.34	-67.38
C[C@@H](C(=O)NCCCCCCCCCCCC(=O)[O-])[NH+](C)C	REAL300003176275	0	56	0.0	-71.33	427.53	10.14	-61.19
C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176276	0	57	0.0	-71.97	429.46	10.30	-61.67
C[N@H+]1CCC[C@@H]1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176276	1	57	0.0	-69.92	435.71	10.81	-59.11
C[C@H](C(=O)NCCCCCCCCCCCC(=O)[O-])[NH+](C)C	REAL300003176280	0	56	0.0	-71.32	427.60	10.14	-61.18
C[NH+](C)C1(C(=O)NCCCCCCCCCCCC(=O)[O-])CC1	REAL300003176288	0	57	0.0	-76.31	431.86	11.44	-64.87
CCC(C(=O)NCCCCCCCCCCCC(=O)[O-])[NH+](CC)CC	REAL300003176348	0	65	0.0	-67.12	472.05	11.78	-55.34
CC(C(=O)NCCCCCCCCCCCC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003176350	0	66	0.0	-73.17	504.38	13.74	-59.43
CC(C(=O)NCCCCCCCCCCCC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003176350	1	66	0.0	-74.25	504.20	13.72	-60.53
C[NH+](C)CC1=CC=C(C(=O)NCCCCCCCCCCCC(=O)[O-])C=N1	REAL300003176369	0	62	0.0	-79.30	483.38	11.38	-67.92
CCC[NH+](CCC)CCCC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176373	0	71	0.0	-75.34	527.51	13.67	-61.67
CC[N@H+](C)C(C(=O)NCCCCCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300003176374	0	66	0.0	-71.32	496.77	13.70	-57.62
CC[N@@H+](C)C(C(=O)NCCCCCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300003176374	1	66	0.0	-70.16	502.68	13.85	-56.31
C[N@@H+]1CCOC(C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003176375	1	58	0.0	-83.82	446.81	10.20	-73.62
C[N@H+]1CCOC(C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003176375	1	58	0.0	-76.09	439.70	10.05	-66.04
CC(C)C1=[NH+]C=CN1CC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176386	1	61	0.0	-68.56	475.07	12.47	-56.09
C[NH+](C)CC1(C(=O)NCCCCCCCCCCCC(=O)[O-])CC1	REAL300003176400	0	60	0.0	-74.85	461.23	11.51	-63.34
C[NH+](C)CCCCC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176406	0	62	0.0	-76.63	474.79	11.88	-64.75
CC(C)C(C(=O)NCCCCCCCCCCCC(=O)[O-])[NH+](C)C	REAL300003176414	0	62	0.0	-70.54	457.23	11.45	-59.09
O=C([O-])CCCCCCCCCCCNC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003176428	1	63	0.0	-80.38	492.84	11.83	-68.55
C[NH+](C)CCC1=CC=C(C(=O)NCCCCCCCCCCCC(=O)[O-])C=C1	REAL300003176429	0	66	0.0	-83.36	510.07	14.07	-69.29
CNC1=[NH+]C(C)=CC=C1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176437	1	59	0.0	-66.90	458.73	10.81	-56.09
CCC[N@H+](C)CC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176444	0	59	0.0	-72.84	448.66	11.15	-61.69
CCC[N@@H+](C)CC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176444	1	59	0.0	-72.83	448.66	11.15	-61.68
C[N@H+](CC(=O)NCCCCCCCCCCCC(=O)[O-])C1CCC1	REAL300003176465	0	60	0.0	-70.66	455.65	11.72	-58.94
C[N@@H+](CC(=O)NCCCCCCCCCCCC(=O)[O-])C1CCC1	REAL300003176465	1	60	0.0	-70.92	455.55	11.72	-59.20
CC(C(=O)NCCCCCCCCCCCC(=O)[O-])[NH+]1CCSCC1	REAL300003176483	1	61	0.0	-73.51	463.66	11.62	-61.89
C[N@H+](CC(=O)NCCCCCCCCCCCC(=O)[O-])CC(C)(C)C	REAL300003176485	0	65	0.0	-72.79	477.26	12.15	-60.64
C[N@@H+](CC(=O)NCCCCCCCCCCCC(=O)[O-])CC(C)(C)C	REAL300003176485	1	65	0.0	-72.55	479.21	12.30	-60.25
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176487	0	66	0.0	-76.88	508.57	14.18	-62.70
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176487	1	66	0.0	-76.91	508.56	14.18	-62.73
CC[C@@H](C(=O)NCCCCCCCCCCCC(=O)[O-])[NH+](C)C	REAL300003176490	0	59	0.0	-71.00	443.68	11.34	-59.66
C[N@@H+]1CCCC(O)(CC(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003176492	0	64	0.0	-69.91	470.05	9.90	-60.01
C[N@H+]1CCCC(O)(CC(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003176492	1	64	0.0	-69.51	479.73	10.10	-59.41
CCCCCC[N@H+](C)CC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176512	0	68	0.0	-74.16	513.15	13.49	-60.67
CCCCCC[N@@H+](C)CC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176512	1	68	0.0	-74.17	513.15	13.49	-60.68
O=C([O-])CCCCCCCCCCCNC(=O)C12CCC[NH+]1CCC2	REAL300003176523	0	61	0.0	-73.97	454.16	11.74	-62.23
O=C([O-])CCCCCCCCCCCNC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300003176531	1	55	0.0	-78.90	439.87	13.26	-65.64
C[N@H+](CC(=O)NCCCCCCCCCCCC(=O)[O-])C1CCSC1	REAL300003176541	0	61	0.0	-78.41	470.15	11.97	-66.44
C[N@@H+](CC(=O)NCCCCCCCCCCCC(=O)[O-])C1CCSC1	REAL300003176541	1	61	0.0	-78.61	468.77	11.97	-66.64
CC(C)[NH+]1CCN(CCC(=O)NCCCCCCCCCCCC(=O)[O-])CC1	REAL300003176556	0	71	0.0	-74.04	524.78	10.92	-63.12
CC(C)N1CC[NH+](CCC(=O)NCCCCCCCCCCCC(=O)[O-])CC1	REAL300003176556	1	71	0.0	-75.80	521.09	10.72	-65.08
O=C([O-])CCCCCCCCCCCNC(=O)C1CCCC2CCC[N@@H+]21	REAL300003176557	0	64	0.0	-68.47	465.58	12.30	-56.17
O=C([O-])CCCCCCCCCCCNC(=O)C1CCCC2CCC[N@H+]21	REAL300003176557	1	64	0.0	-66.34	473.97	12.57	-53.77
C[NH+](C)CCN1C=C(C(=O)NCCCCCCCCCCCC(=O)[O-])C=N1	REAL300003176558	0	63	0.0	-81.99	493.74	11.24	-70.75
CCCC(C(=O)NCCCCCCCCCCCC(=O)[O-])[NH+](C)C	REAL300003176583	0	62	0.0	-71.60	465.10	12.10	-59.50
C[NH+](C)CCN1C=CC(C(=O)NCCCCCCCCCCCC(=O)[O-])=N1	REAL300003176597	0	63	0.0	-85.81	494.12	11.24	-74.57
C[NH+](C)CCN1N=CC=C1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176598	0	63	0.0	-70.96	489.20	11.20	-59.76
C[C@@H]1[C@H](C(=O)NCCCCCCCCCCCC(=O)[O-])CC[N@@H+]1C	REAL300003176601	0	60	0.0	-74.82	447.09	10.92	-63.90
C[C@@H]1[C@H](C(=O)NCCCCCCCCCCCC(=O)[O-])CC[N@H+]1C	REAL300003176601	1	60	0.0	-74.10	451.49	11.24	-62.86
CCC1=[NH+]C=CN1C(C)CC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176603	1	64	0.0	-68.46	495.38	12.95	-55.51
CC[C@@H]1[C@@H](C(=O)NCCCCCCCCCCCC(=O)[O-])CC[N@@H+]1C	REAL300003176606	0	63	0.0	-74.64	466.89	11.43	-63.21
CC[C@@H]1[C@@H](C(=O)NCCCCCCCCCCCC(=O)[O-])CC[N@H+]1C	REAL300003176606	1	63	0.0	-72.51	470.44	11.96	-60.55
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176609	1	59	0.0	-70.30	456.05	11.52	-58.78
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176609	1	59	0.0	-70.23	461.97	12.04	-58.19
CC1C[N@H+](C)CC(C(=O)NCCCCCCCCCCCC(=O)[O-])O1	REAL300003176615	1	61	0.0	-76.62	460.90	10.78	-65.84
CC1C[N@@H+](C)CC(C(=O)NCCCCCCCCCCCC(=O)[O-])O1	REAL300003176615	1	61	0.0	-76.65	460.88	10.78	-65.87
O=C([O-])CCCCCCCCCCCNC(=O)C[NH+]1CCCC1	REAL300003176621	0	57	0.0	-71.81	433.38	10.77	-61.04
CC1=[NH+]C=CN1CC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176623	1	55	0.0	-70.06	437.83	11.33	-58.73
CC(C[NH+]1CCOCC1)C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176625	0	64	0.0	-69.98	480.13	10.60	-59.38
CC1CC[NH+](CC(=O)NCCCCCCCCCCCC(=O)[O-])CC1	REAL300003176644	0	63	0.0	-73.14	472.38	12.24	-60.90
CC[N@@H+]1CCOC(C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003176655	1	61	0.0	-75.25	457.46	10.69	-64.56
CC[N@H+]1CCOC(C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003176655	1	61	0.0	-75.25	457.47	10.69	-64.56
O=C([O-])CCCCCCCCCCCNC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003176686	0	70	0.0	-73.88	514.09	13.62	-60.26
O=C([O-])CCCCCCCCCCCNC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003176686	1	70	0.0	-73.86	514.07	13.62	-60.24
C[N@@H+]1CCCC1CCC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176691	0	63	0.0	-76.55	476.82	12.24	-64.31
C[N@H+]1CCCC1CCC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176691	1	63	0.0	-73.42	471.38	11.77	-61.65
O=C([O-])CCCCCCCCCCCNC(=O)C12CCC[NH+](CCC1)C2	REAL300003176701	0	64	0.0	-74.04	466.82	11.95	-62.09
C[N@@H+]1CC(O)CC1(C)C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176703	0	61	0.0	-76.96	458.71	7.89	-69.07
C[N@H+]1CC(O)CC1(C)C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176703	1	61	0.0	-77.32	455.04	8.30	-69.02
O=C([O-])CCCCCCCCCCCNC(=O)C1CCC2CCCC[N@@H+]21	REAL300003176704	0	64	0.0	-67.60	477.30	12.69	-54.91
O=C([O-])CCCCCCCCCCCNC(=O)C1CCC2CCCC[N@H+]21	REAL300003176704	1	64	0.0	-67.65	477.27	12.68	-54.97
CC(C)(C[NH+]1CCOCC1)C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176711	0	67	0.0	-71.22	490.22	10.83	-60.39
CC[NH+](CC)CC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176726	0	59	0.0	-71.06	441.01	10.82	-60.24
CC(C)[NH+]1CCC(C(=O)NCCCCCCCCCCCC(=O)[O-])CC1	REAL300003176728	0	66	0.0	-75.00	484.67	12.36	-62.64
O=C([O-])CCCCCCCCCCCNC(=O)C12CC[NH+](CC1)C2	REAL300003176805	0	58	0.0	-75.68	440.92	10.28	-65.40
CCC(C(=O)NCCCCCCCCCCCC(=O)[O-])[NH+](C)C	REAL300003176808	0	59	0.0	-70.02	439.84	10.75	-59.27
O=C([O-])CCCCCCCCCCCNC(=O)C12CC[N@H+](C1)CCC2	REAL300003176816	0	61	0.0	-78.66	451.36	10.98	-67.68
O=C([O-])CCCCCCCCCCCNC(=O)C12CC[N@@H+](C1)CCC2	REAL300003176816	1	61	0.0	-74.59	451.07	10.96	-63.63
CC1CCC(C)[NH+]1CC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176856	0	63	0.0	-68.81	466.46	11.62	-57.19
C[NH+](C)CC1=CC=CC(C(=O)NCCCCCCCCCCCC(=O)[O-])=C1	REAL300003176857	0	63	0.0	-77.19	487.63	13.23	-63.96
C[NH+](C)C1(C(=O)NCCCCCCCCCCCC(=O)[O-])CCC1	REAL300003176888	0	60	0.0	-75.82	443.60	10.90	-64.92
C#CC[NH+]1CCC(C(=O)NCCCCCCCCCCCC(=O)[O-])CC1	REAL300003176910	0	62	0.0	-78.74	479.20	12.61	-66.13
CCC[N@@H+]1CCCCC1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176912	0	66	0.0	-69.68	481.27	12.58	-57.10
CCC[N@H+]1CCCCC1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176912	1	66	0.0	-68.88	490.70	12.72	-56.16
C[NH+](C)CC1=CC=CC=C1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176913	0	63	0.0	-64.78	480.26	13.46	-51.32
CC[NH+]1CCN(CCC(=O)NCCCCCCCCCCCC(=O)[O-])CC1	REAL300003176915	0	68	0.0	-75.97	506.87	10.25	-65.72
CCN1CC[NH+](CCC(=O)NCCCCCCCCCCCC(=O)[O-])CC1	REAL300003176915	1	68	0.0	-75.79	508.03	10.40	-65.39
CC(C)[N@H+](C)CC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176916	0	59	0.0	-70.38	443.85	10.93	-59.45
CC(C)[N@@H+](C)CC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176916	1	59	0.0	-70.37	443.85	10.94	-59.43
CC(C)C(C(=O)NCCCCCCCCCCCC(=O)[O-])[NH+]1CCCCC1	REAL300003176917	0	69	0.0	-67.29	495.07	13.72	-53.57
C[NH+](C)C(C(=O)NCCCCCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300003176918	1	63	0.0	-70.87	484.12	13.24	-57.63
CC(C)C1=[NH+]C=CN1CCC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176924	1	64	0.0	-68.44	494.87	12.90	-55.54
O=C([O-])CCCCCCCCCCCNC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300003176930	0	67	0.0	-71.68	485.46	13.10	-58.58
O=C([O-])CCCCCCCCCCCNC(=O)C1CCC[N@H+]1C1CCCC1	REAL300003176930	1	67	0.0	-70.00	495.40	13.13	-56.87
CC[N@H+](CC(=O)NCCCCCCCCCCCC(=O)[O-])C1CC1	REAL300003176932	0	60	0.0	-69.95	455.78	11.72	-58.23
CC[N@@H+](CC(=O)NCCCCCCCCCCCC(=O)[O-])C1CC1	REAL300003176932	1	60	0.0	-69.96	455.80	11.77	-58.19
CC(C(=O)NCCCCCCCCCCCC(=O)[O-])[NH+]1CCCCCC1	REAL300003176948	0	66	0.0	-69.68	480.52	12.53	-57.15
C[N@@H+]1CCC[C@H]1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176951	0	57	0.0	-69.28	435.12	10.71	-58.57
C[N@H+]1CCC[C@H]1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003176951	1	57	0.0	-71.98	429.47	10.30	-61.68
CC(C)(C)[NH2+]CC(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003177010	0	59	0.0	-71.94	448.38	9.48	-62.46
CC[NH+](CC)CC1=CC=C(C(=O)NCCCCCCCCCCCC(=O)[O-])O1	REAL300003177011	0	66	0.0	-77.98	509.63	12.93	-65.05
O=C([O-])CCCCCCCCCCCNC(=O)CCCC[NH+]1CCCC1	REAL300003177012	0	66	0.0	-75.39	500.76	13.06	-62.33
C[N@H+](CC(=O)NCCCCCCCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300003177014	1	63	0.0	-77.21	486.08	13.33	-63.88
C[N@@H+](CC(=O)NCCCCCCCCCCCC(=O)[O-])CC1=CC=CC=C1	REAL300003177014	1	63	0.0	-77.19	486.09	13.33	-63.86
CC(C)[C@@H](C(=O)NCCCCCCCCCCCC(=O)[O-])[NH+](C)C	REAL300003177022	0	62	0.0	-71.31	459.47	11.94	-59.37
O=C([O-])CCCCCCCCCCCNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003177040	1	58	0.0	-80.89	468.73	11.18	-69.71
C[NH+](C)CC1=CC(C(=O)NCCCCCCCCCCCC(=O)[O-])=NO1	REAL300003177055	1	59	0.0	-81.74	467.53	10.71	-71.03
CC(C)[N@@H+]1CCCC1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003177067	0	63	0.0	-70.25	462.30	12.02	-58.23
CC(C)[N@H+]1CCCC1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003177067	1	63	0.0	-68.26	468.22	11.86	-56.40
C[NH+]1CCC(OCC(=O)NCCCCCCCCCCCC(=O)[O-])CC1	REAL300003177086	0	64	0.0	-80.46	489.38	11.84	-68.62
CCC[N@@H+]1CCCC(C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003177224	0	66	0.0	-67.18	486.91	12.96	-54.22
CCC[N@H+]1CCCC(C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003177224	1	66	0.0	-73.15	493.17	12.77	-60.38
CC(C)C[N@@H+]1CCCC1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003177246	0	66	0.0	-69.45	494.34	12.92	-56.53
CC(C)C[N@H+]1CCCC1C(=O)NCCCCCCCCCCCC(=O)[O-]	REAL300003177246	1	66	0.0	-69.71	494.15	12.95	-56.76
O=C([O-])CCCCCCCCCCCNC(=O)C[NH+]1CCC(CO)CC1	REAL300003177247	0	64	0.0	-74.35	483.22	8.92	-65.43
CC(C)[N@@H+]1CCCC(C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003177425	0	66	0.0	-66.21	482.07	12.74	-53.47
CC(C)[N@H+]1CCCC(C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003177425	1	66	0.0	-71.36	488.33	12.54	-58.82
C[N@@H+]1CC(C(=O)NCCCCCCCCCCCC(=O)[O-])C(C(F)(F)F)C1	REAL300003177426	0	60	0.0	-79.61	463.82	11.46	-68.15
C[N@H+]1CC(C(=O)NCCCCCCCCCCCC(=O)[O-])C(C(F)(F)F)C1	REAL300003177426	1	60	0.0	-78.65	465.72	11.57	-67.08
CC1=C(C)[NH+]=C(CCC(=O)NCCCCCCCCCCCC(=O)[O-])N1	REAL300003177449	1	61	0.0	-69.14	479.67	11.03	-58.11
C[NH+](C)CCC1=CC=CC(C(=O)NCCCCCCCCCCCC(=O)[O-])=C1	REAL300003177819	0	66	0.0	-78.49	510.07	14.06	-64.43
C[NH+](C)[C@H]1C[C@H](C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003177935	0	60	0.0	-74.52	458.98	11.47	-63.05
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCCCCCCCCCCCC(=O)[O-])CC1	REAL300003177939	0	66	0.0	-70.74	481.71	12.43	-58.31
CC(C)C[N@@H+]1CCCC(C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003177991	0	69	0.0	-67.49	504.33	13.66	-53.83
CC(C)C[N@H+]1CCCC(C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003177991	1	69	0.0	-67.49	504.33	13.66	-53.83
CC[N@@H+]1CCCC(C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003177992	0	63	0.0	-72.46	471.66	12.02	-60.44
CC[N@H+]1CCCC(C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003177992	1	63	0.0	-72.46	471.66	12.02	-60.44
C[N@@H+]1CCCC(C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003177997	0	60	0.0	-67.34	447.75	11.57	-55.77
C[N@H+]1CCCC(C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003177997	1	60	0.0	-67.34	447.75	11.57	-55.77
CN(C)CC1=CC=C(C(=O)NCCCCCCCCCCCC(=O)[O-])O1	REAL300003177999	0	60	0.0	-80.66	472.92	11.46	-69.20
C[NH+](C)CC1=CC=C(C(=O)NCCCCCCCCCCCC(=O)[O-])O1	REAL300003177999	1	60	0.0	-80.66	472.92	11.46	-69.20
C[N@@H+]1CCCC(C(C)(C)C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003178005	0	69	0.0	-75.83	499.41	12.87	-62.96
C[N@H+]1CCCC(C(C)(C)C(=O)NCCCCCCCCCCCC(=O)[O-])C1	REAL300003178005	1	69	0.0	-75.79	499.43	12.87	-62.92
O=C([O-])CCCCCCCCCCCNC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003178008	0	62	0.0	-71.45	467.75	12.41	-59.04
O=C([O-])CCCCCCCCCCCNC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300003178008	1	62	0.0	-72.81	467.43	13.08	-59.73
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C(OCC(F)F)=C1	REAL300003179355	0	48	0.0	-75.35	380.95	9.00	-66.35
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C(=O)[O-])C=C3OCC(F)F)CN12	REAL300003179376	1	46	0.0	-68.04	379.66	8.87	-59.17
C[NH+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179427	1	37	0.0	-73.70	312.61	6.14	-67.56
CC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)N1CC[NH+](C)CC1	REAL300003179428	1	49	0.0	-74.23	382.96	6.03	-68.20
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179454	1	44	0.0	-67.92	353.80	7.73	-60.19
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179454	1	44	0.0	-71.72	344.03	7.55	-64.17
C[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)CC1	REAL300003179492	0	44	0.0	-78.19	356.97	7.79	-70.40
C[N@H+](CCC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)C1CCCCC1	REAL300003179542	0	53	0.0	-76.36	410.19	9.73	-66.63
C[N@@H+](CCC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)C1CCCCC1	REAL300003179542	1	53	0.0	-76.27	410.19	9.73	-66.54
C[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179553	1	41	0.0	-68.66	338.31	7.09	-61.57
C[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179553	1	41	0.0	-70.19	332.15	6.69	-63.50
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179628	1	45	0.0	-71.88	382.75	9.05	-62.83
O=C([O-])C1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C(OCC(F)F)=C1	REAL300003179629	1	51	0.0	-78.74	410.04	7.73	-71.01
C[C@@H](C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)[NH+](C)C	REAL300003179633	0	40	0.0	-70.50	330.13	6.56	-63.94
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179634	1	41	0.0	-71.75	332.18	6.68	-65.07
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179634	1	41	0.0	-68.07	338.20	7.08	-60.99
C[C@H](C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)[NH+](C)C	REAL300003179637	0	40	0.0	-71.32	329.24	6.53	-64.79
CCC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)[NH+](CC)CC	REAL300003179689	0	49	0.0	-65.68	377.25	8.53	-57.15
CC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)[N@H+](C)CC1=CC=CC=C1	REAL300003179691	1	50	0.0	-72.67	406.68	10.12	-62.55
CC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)[N@@H+](C)CC1=CC=CC=C1	REAL300003179691	1	50	0.0	-73.66	405.96	10.14	-63.52
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C=N1	REAL300003179704	0	46	0.0	-78.98	386.53	7.77	-71.21
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179706	0	55	0.0	-75.73	429.92	10.06	-65.67
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179715	1	45	0.0	-68.09	377.43	8.87	-59.22
C[NH+](C)CC1(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)CC1	REAL300003179726	0	44	0.0	-75.00	356.91	7.85	-67.15
C[NH+](C)CCCCC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179731	0	46	0.0	-77.01	377.15	8.27	-68.74
O=C([O-])C1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(OCC(F)F)=C1	REAL300003179750	1	47	0.0	-79.98	396.02	8.24	-71.74
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C=C1	REAL300003179751	0	50	0.0	-83.54	413.25	10.48	-73.06
CCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179758	0	43	0.0	-73.56	351.01	7.57	-65.99
CCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179758	1	43	0.0	-72.87	351.84	7.55	-65.32
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)C1CCC1	REAL300003179771	0	44	0.0	-70.84	358.00	8.13	-62.71
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)C1CCC1	REAL300003179771	1	44	0.0	-70.54	358.72	8.11	-62.43
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)CC(C)(C)C	REAL300003179788	0	49	0.0	-73.39	379.46	8.58	-64.81
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)CC(C)(C)C	REAL300003179788	1	49	0.0	-72.18	382.85	8.70	-63.48
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179790	1	50	0.0	-77.28	410.91	10.57	-66.71
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179790	1	50	0.0	-77.29	410.92	10.59	-66.70
CC[C@@H](C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)[NH+](C)C	REAL300003179792	0	43	0.0	-69.13	342.41	7.16	-61.97
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179804	0	52	0.0	-74.72	415.51	9.91	-64.81
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179804	1	52	0.0	-74.07	416.34	9.90	-64.17
O=C([O-])C1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(OCC(F)F)=C1	REAL300003179819	1	39	0.0	-79.19	343.05	9.65	-69.54
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)C1CCSC1	REAL300003179827	1	45	0.0	-78.25	371.27	8.38	-69.87
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)C1CCSC1	REAL300003179827	1	45	0.0	-77.74	371.04	8.39	-69.35
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)CC1	REAL300003179839	0	55	0.0	-73.92	427.13	7.32	-66.60
O=C([O-])C1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C(OCC(F)F)=C1	REAL300003179840	0	48	0.0	-64.53	377.08	8.96	-55.57
O=C([O-])C1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C(OCC(F)F)=C1	REAL300003179840	1	48	0.0	-70.04	368.79	8.71	-61.33
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C=N1	REAL300003179841	0	47	0.0	-81.96	396.93	7.62	-74.34
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)=N1	REAL300003179867	0	47	0.0	-85.41	396.47	7.64	-77.77
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179868	0	47	0.0	-71.37	388.93	7.81	-63.56
C[C@@H]1[C@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)CC[N@@H+]1C	REAL300003179870	0	44	0.0	-75.73	349.42	7.22	-68.51
C[C@@H]1[C@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)CC[N@H+]1C	REAL300003179870	1	44	0.0	-74.81	355.12	7.58	-67.23
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179871	1	48	0.0	-68.86	397.74	9.35	-59.51
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)CC[N@@H+]1C	REAL300003179874	0	47	0.0	-75.69	369.64	7.83	-67.86
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)CC[N@H+]1C	REAL300003179874	1	47	0.0	-75.22	373.92	8.26	-66.96
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)=NN1	REAL300003179876	1	48	0.0	-80.89	398.37	7.19	-73.70
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)=NN1	REAL300003179876	1	48	0.0	-80.69	398.83	7.18	-73.51
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)O1	REAL300003179880	1	45	0.0	-80.90	363.25	7.20	-73.70
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)O1	REAL300003179880	1	45	0.0	-83.24	363.63	6.80	-76.44
O=C([O-])C1=CC=C(NC(=O)C[NH+]2CCCC2)C(OCC(F)F)=C1	REAL300003179885	1	41	0.0	-71.97	336.58	7.17	-64.80
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179887	1	39	0.0	-69.05	341.21	7.75	-61.30
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179889	1	48	0.0	-75.99	382.88	6.85	-69.14
CC1CC[NH+](CC(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)CC1	REAL300003179908	1	47	0.0	-73.40	375.02	8.63	-64.77
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C1	REAL300003179919	1	45	0.0	-79.83	366.62	7.13	-72.70
CC[N@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C1	REAL300003179919	1	45	0.0	-79.87	366.61	7.12	-72.75
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179948	0	47	0.0	-75.89	379.99	8.63	-67.26
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179948	1	47	0.0	-73.93	373.54	8.16	-65.77
O=C([O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C(OCC(F)F)=C1	REAL300003179957	0	48	0.0	-66.21	380.11	9.02	-57.19
O=C([O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C(OCC(F)F)=C1	REAL300003179957	1	48	0.0	-68.84	372.00	8.64	-60.20
CC[NH+](CC)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003179976	0	43	0.0	-71.63	343.23	7.21	-64.42
CCC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)[NH+](C)C	REAL300003180040	0	43	0.0	-71.32	344.41	7.29	-64.03
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003180076	0	47	0.0	-69.69	368.83	8.13	-61.56
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)=C1	REAL300003180077	0	47	0.0	-77.26	390.75	9.63	-67.63
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)CC1	REAL300003180115	0	46	0.0	-79.09	380.78	8.94	-70.15
CC(C)[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003180117	0	43	0.0	-70.65	346.20	7.35	-63.30
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003180117	1	43	0.0	-69.97	347.03	7.34	-62.63
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003180121	1	48	0.0	-68.45	397.19	9.30	-59.15
CC[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)C1CC1	REAL300003180127	0	44	0.0	-69.32	360.38	8.17	-61.15
CC[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)C1CC1	REAL300003180127	1	44	0.0	-68.93	356.32	7.95	-60.98
CC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)[NH+]1CCCCCC1	REAL300003180143	0	50	0.0	-67.93	381.09	8.59	-59.34
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003180146	1	41	0.0	-69.66	338.14	7.19	-62.47
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003180146	1	41	0.0	-71.95	331.88	6.68	-65.27
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)O1	REAL300003180195	0	50	0.0	-76.85	412.67	9.29	-67.56
O=C([O-])C1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C(OCC(F)F)=C1	REAL300003180196	0	50	0.0	-75.41	403.11	9.46	-65.95
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)CC1=CC=CC=C1	REAL300003180198	1	47	0.0	-77.89	388.44	9.74	-68.15
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F)CC1=CC=CC=C1	REAL300003180198	1	47	0.0	-77.17	389.33	9.74	-67.43
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)=NO1	REAL300003180232	1	43	0.0	-81.79	371.72	7.18	-74.61
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003180243	0	47	0.0	-68.83	364.79	8.14	-60.69
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)F	REAL300003180243	1	47	0.0	-69.59	364.39	8.18	-61.41
C[NH+]1CCC(OCC(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)CC1	REAL300003180257	0	48	0.0	-80.19	391.74	8.14	-72.05
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C1	REAL300003180364	0	50	0.0	-67.35	390.33	9.35	-58.00
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C1	REAL300003180364	1	50	0.0	-73.44	395.82	9.15	-64.29
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C1	REAL300003180508	0	50	0.0	-66.35	385.47	9.13	-57.22
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C1	REAL300003180508	1	50	0.0	-67.08	384.19	9.11	-57.97
C[N@@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C(C(F)(F)F)C1	REAL300003180509	0	44	0.0	-82.71	365.11	8.00	-74.71
C[N@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C(C(F)(F)F)C1	REAL300003180509	1	44	0.0	-84.62	367.97	8.05	-76.57
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)N1	REAL300003180530	1	45	0.0	-69.55	382.02	7.43	-62.12
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)=C1	REAL300003180820	0	50	0.0	-78.21	413.26	10.46	-67.75
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C1	REAL300003180913	0	44	0.0	-74.88	362.17	7.87	-67.01
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)CC1	REAL300003180917	0	50	0.0	-67.89	385.10	8.82	-59.07
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(C(=O)[O-])C=C3OCC(F)F)=CN12	REAL300003180920	0	42	0.0	-70.40	364.20	9.41	-60.99
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C1	REAL300003180959	0	53	0.0	-67.90	407.75	10.04	-57.86
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C1	REAL300003180959	1	53	0.0	-67.89	407.76	10.04	-57.85
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C1	REAL300003180960	0	47	0.0	-73.09	373.77	8.41	-64.68
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C1	REAL300003180960	1	47	0.0	-67.74	367.56	8.60	-59.14
C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C1	REAL300003180965	0	44	0.0	-67.97	349.89	7.94	-60.03
C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)C1	REAL300003180965	1	44	0.0	-74.93	356.13	7.76	-67.17
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)F)O1	REAL300003180967	1	44	0.0	-80.20	376.29	7.95	-72.25
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(OCC(F)F)=C1	REAL300003180975	1	46	0.0	-69.79	369.45	8.75	-61.04
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(OCC(F)F)=C1	REAL300003180975	1	46	0.0	-70.58	369.62	9.26	-61.32
COC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300003181040	0	44	0.0	-50.74	335.90	7.52	-43.22
COC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300003181040	1	44	0.0	-50.22	330.45	7.55	-42.67
COC1=CC(OC)=C2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300003181138	0	52	0.0	-52.76	385.31	8.63	-44.13
COC1=CC(OC)=C2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300003181138	1	52	0.0	-53.53	385.73	8.64	-44.89
C[C@@H](C(=O)[O-])N(C)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003181926	0	46	0.0	-71.44	343.10	9.63	-61.81
CC1=NC(C[NH+]2CCC(C(=O)N(C)[C@@H](C)C(=O)[O-])CC2)=CS1	REAL300003182814	1	45	0.0	-70.76	350.51	7.39	-63.37
C[C@@H](C(=O)[O-])N(C)C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003182839	0	49	0.0	-73.15	381.05	9.43	-63.72
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300003182842	0	49	0.0	-74.43	378.68	11.35	-63.08
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300003182842	1	49	0.0	-75.28	378.62	11.34	-63.94
CC[N@H+](CC1=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C1)C(C)C	REAL300003182929	0	48	0.0	-70.99	349.15	9.34	-61.65
CC[N@@H+](CC1=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C1)C(C)C	REAL300003182929	1	48	0.0	-76.33	342.22	9.11	-67.22
C[C@@H](C(=O)[O-])N(C)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003182941	0	44	0.0	-70.24	321.69	7.97	-62.27
C[C@@H](C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003182961	0	49	0.0	-52.32	358.99	10.51	-41.81
C[C@@H](C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003182961	1	49	0.0	-52.97	362.17	10.73	-42.24
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003182988	0	46	0.0	-73.03	344.95	9.66	-63.37
CCN1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)C(=O)[O-])CC2)CC1	REAL300003182993	0	54	0.0	-67.12	375.77	7.21	-59.91
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300003182998	1	50	0.0	-79.04	379.53	8.71	-70.33
C[C@@H](C(=O)[O-])N(C)C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003183007	1	47	0.0	-75.32	361.25	9.22	-66.10
C[C@@H](C(=O)[O-])N(C)C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003183007	1	47	0.0	-72.57	361.12	9.15	-63.42
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003183018	0	46	0.0	-77.13	344.93	9.67	-67.46
C[C@@H](C(=O)[O-])N(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003183026	1	44	0.0	-63.97	335.77	8.41	-55.56
C[C@@H](C(=O)[O-])N(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003183026	1	44	0.0	-53.24	331.27	8.34	-44.90
CC(C(=O)N(C)[C@@H](C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003183030	0	52	0.0	-53.71	382.70	10.98	-42.73
C[C@@H](C(=O)[O-])N(C)C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003183044	0	51	0.0	-70.70	381.28	8.83	-61.87
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)[C@@H](C)C(=O)[O-])CC2)=C1	REAL300003183059	0	51	0.0	-66.79	381.62	8.59	-58.20
C[C@@H](C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003183060	0	48	0.0	-66.76	360.71	8.02	-58.74
C[C@@H](C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003183062	0	45	0.0	-59.05	332.09	7.97	-51.08
C[C@@H](C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003183062	1	45	0.0	-62.19	331.84	7.90	-54.29
C[C@@H](C(=O)[O-])N(C)C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003183076	0	46	0.0	-69.55	352.44	9.81	-59.74
C[C@@H](C(=O)[O-])N(C)C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003183076	1	46	0.0	-69.19	349.40	9.84	-59.35
C[C@@H](C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003183084	0	46	0.0	-58.74	343.51	9.80	-48.94
C[C@@H](C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003183084	1	46	0.0	-61.17	343.38	9.82	-51.35
C[C@@H](C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003183086	0	47	0.0	-66.78	357.40	7.39	-59.39
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300003183103	0	48	0.0	-73.71	362.81	7.13	-66.58
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300003183104	0	48	0.0	-75.38	360.99	6.99	-68.39
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300003183104	1	48	0.0	-77.21	362.27	7.02	-70.19
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300003183105	0	49	0.0	-73.45	364.96	8.55	-64.90
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003183122	0	50	0.0	-80.19	374.86	6.91	-73.28
C[C@@H](C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003183124	0	46	0.0	-59.46	337.93	9.74	-49.72
C[C@@H](C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003183124	1	46	0.0	-59.64	336.80	9.69	-49.95
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300003183178	1	44	0.0	-76.24	338.29	8.23	-68.01
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300003183178	1	44	0.0	-75.51	338.33	8.14	-67.37
CC1=CC=C(N2CCC(C(=O)N(C)[C@@H](C)C(=O)[O-])CC2)[NH+]=C1	REAL300003183198	1	45	0.0	-66.41	335.92	7.41	-59.00
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)CC1	REAL300003183200	0	51	0.0	-76.89	369.66	8.10	-68.79
C[C@@H](C(=O)[O-])N(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300003183212	0	46	0.0	-66.35	345.61	9.69	-56.66
C[C@@H](C(=O)[O-])N(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300003183212	1	46	0.0	-64.79	346.88	9.81	-54.98
C[C@@H](C(=O)[O-])N(C)C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003183225	0	47	0.0	-76.43	369.06	9.04	-67.39
C[C@@H](C(=O)[O-])N(C)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003183540	0	49	0.0	-69.20	366.55	10.57	-58.63
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300003183541	1	47	0.0	-78.43	349.15	7.96	-70.47
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300003183541	1	47	0.0	-78.44	349.19	7.98	-70.46
CC(OC1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1F)C(=O)[O-]	REAL300003185004	0	51	0.0	-81.88	409.53	11.12	-70.76
CC(OC1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1F)C(=O)[O-]	REAL300003185004	1	51	0.0	-81.27	408.12	11.07	-70.20
CC(OC1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C1F)C(=O)[O-]	REAL300003185798	0	48	0.0	-83.90	374.12	9.30	-74.60
CC(OC1=CC=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=C1F)C(=O)[O-]	REAL300003185823	1	45	0.0	-76.75	361.75	8.91	-67.84
CC(OC1=CC=C(NC(=O)C2CCC[N@H+]2C2CC2)C=C1F)C(=O)[O-]	REAL300003185823	1	45	0.0	-76.85	357.02	8.77	-68.08
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(OC(C)C(=O)[O-])C(F)=C3)CN12	REAL300003185829	1	46	0.0	-75.81	372.12	9.16	-66.65
CC(OC1=CC=C(NC(=O)C2CCCC[N@@H+]2C)C=C1F)C(=O)[O-]	REAL300003185906	1	44	0.0	-79.67	337.25	7.85	-71.82
CC(OC1=CC=C(NC(=O)C2CCCC[N@H+]2C)C=C1F)C(=O)[O-]	REAL300003185906	1	44	0.0	-78.41	346.37	8.00	-70.41
CC(OC1=CC=C(NC(=O)C(C)N2CC[NH+](C)CC2)C=C1F)C(=O)[O-]	REAL300003185907	1	49	0.0	-80.36	377.86	6.29	-74.07
CC(OC1=CC=C(NC(=O)[C@@H]2CCCC[N@@H+]2C)C=C1F)C(=O)[O-]	REAL300003185946	1	44	0.0	-78.69	337.29	7.86	-70.83
CC(OC1=CC=C(NC(=O)[C@@H]2CCCC[N@H+]2C)C=C1F)C(=O)[O-]	REAL300003185946	1	44	0.0	-78.42	346.39	8.00	-70.42
CC(OC1=CC=C(NC(=O)C2CC[NH+](C)CC2)C=C1F)C(=O)[O-]	REAL300003186026	0	44	0.0	-86.56	349.30	8.09	-78.47
CC(OC1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1F)C(=O)[O-]	REAL300003186056	0	39	0.0	-81.63	334.47	9.94	-71.69
CC(OC1=CC=C(NC(=O)C2(C[NH+](C)C)CCCCC2)C=C1F)C(=O)[O-]	REAL300003186089	0	53	0.0	-84.43	386.91	9.94	-74.49
CC(OC1=CC=C(NC(=O)CC[N@H+](C)C2CCCCC2)C=C1F)C(=O)[O-]	REAL300003186094	0	53	0.0	-84.60	402.69	10.02	-74.58
CC(OC1=CC=C(NC(=O)CC[N@@H+](C)C2CCCCC2)C=C1F)C(=O)[O-]	REAL300003186094	1	53	0.0	-84.55	402.70	10.01	-74.54
CC(OC1=CC=C(NC(=O)C2CCC[N@@H+]2C)C=C1F)C(=O)[O-]	REAL300003186110	1	41	0.0	-78.40	330.54	7.46	-70.94
CC(OC1=CC=C(NC(=O)C2CCC[N@H+]2C)C=C1F)C(=O)[O-]	REAL300003186110	1	41	0.0	-76.22	330.18	7.39	-68.83
CC(OC1=CC=C(NC(=O)C2CC[NH+](C)CC2)C=C1F)C(=O)[O-]	REAL300003186163	0	44	0.0	-86.56	349.30	8.09	-78.47
CC(OC1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C1F)C(=O)[O-]	REAL300003186167	0	47	0.0	-88.34	392.23	9.04	-79.30
CC(OC1=CC=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1F)C(=O)[O-]	REAL300003186185	0	54	0.0	-76.11	401.51	10.22	-65.89
CC(OC1=CC=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1F)C(=O)[O-]	REAL300003186185	1	54	0.0	-76.11	402.20	10.26	-65.85
CC(OC1=CC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C1F)C(=O)[O-]	REAL300003186186	0	55	0.0	-77.97	409.71	8.55	-69.42
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186219	1	45	0.0	-78.85	375.26	9.34	-69.51
CC(OC1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C=C1F)C(=O)[O-]	REAL300003186220	1	51	0.0	-85.43	402.72	8.03	-77.40
CC(OC1=CC=C(NC(=O)[C@H]2CCC[N@@H+]2C)C=C1F)C(=O)[O-]	REAL300003186225	1	41	0.0	-78.32	329.28	7.47	-70.85
CC(OC1=CC=C(NC(=O)[C@H]2CCC[N@H+]2C)C=C1F)C(=O)[O-]	REAL300003186225	1	41	0.0	-81.01	324.56	6.94	-74.07
CC(OC1=CC=C(NC(=O)C2([NH+](C)C)CC2)C=C1F)C(=O)[O-]	REAL300003186234	1	41	0.0	-82.39	326.95	7.85	-74.54
CC(OC1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1F)C(=O)[O-]	REAL300003186277	0	51	0.0	-81.76	407.40	10.80	-70.96
CC(OC1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1F)C(=O)[O-]	REAL300003186277	1	51	0.0	-84.49	409.46	10.93	-73.56
CC(OC1=CC=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C=C1F)C(=O)[O-]	REAL300003186278	0	52	0.0	-91.08	404.32	10.06	-81.02
CC(OC1=CC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C1F)C(=O)[O-]	REAL300003186300	0	55	0.0	-84.65	401.27	8.25	-76.40
CCC(C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1)[NH+](CC)CC	REAL300003186304	0	49	0.0	-74.66	370.18	8.89	-65.77
CC(OC1=CC=C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C=C1F)C(=O)[O-]	REAL300003186306	1	50	0.0	-83.31	399.14	10.44	-72.87
CC(OC1=CC=C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C=C1F)C(=O)[O-]	REAL300003186306	1	50	0.0	-83.64	398.79	10.41	-73.23
CC(OC1=CC=C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C=C1F)C(=O)[O-]	REAL300003186335	0	46	0.0	-86.34	378.42	8.07	-78.27
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186340	0	55	0.0	-82.46	426.32	10.64	-71.82
CC[N@H+](C)C(C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1)C1=CC=CC=C1	REAL300003186341	1	50	0.0	-80.79	392.57	10.37	-70.42
CC[N@@H+](C)C(C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1)C1=CC=CC=C1	REAL300003186341	1	50	0.0	-78.27	396.80	10.57	-67.70
CC[NH+](CC)C(C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1)C1=CC=CC=C1	REAL300003186345	0	53	0.0	-80.57	405.32	10.84	-69.73
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186354	1	45	0.0	-75.21	369.94	9.14	-66.07
CC(OC1=CC=C(NC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C=C1F)C(=O)[O-]	REAL300003186359	1	47	0.0	-83.78	395.91	10.45	-73.33
CC(OC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1F)C(=O)[O-]	REAL300003186370	0	51	0.0	-88.57	407.43	11.08	-77.49
CC(OC1=CC=C(NC(=O)C2(C[NH+](C)C)CC2)C=C1F)C(=O)[O-]	REAL300003186379	0	44	0.0	-84.90	356.62	8.19	-76.71
CC(OC1=CC=C(NC(=O)CCCC[NH+](C)C)C=C1F)C(=O)[O-]	REAL300003186387	0	46	0.0	-83.49	369.82	8.57	-74.92
CC(C)C(C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1)[NH+](C)C	REAL300003186395	0	46	0.0	-78.33	349.91	8.37	-69.96
CC1=C(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)C=NN1C1=CC=[NH+]C=C1	REAL300003186405	1	45	0.0	-87.52	379.72	8.30	-79.22
CC(OC1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1F)C(=O)[O-]	REAL300003186423	1	47	0.0	-85.38	388.94	8.62	-76.76
CC(OC1=CC=C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C=C1F)C(=O)[O-]	REAL300003186424	0	50	0.0	-90.07	404.93	10.76	-79.31
CCC[N@H+](C)CC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186444	0	43	0.0	-82.71	343.51	7.83	-74.88
CCC[N@@H+](C)CC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186444	1	43	0.0	-82.81	343.59	7.81	-75.00
CC(OC1=CC=C(NC(=O)C[N@H+](C)C2CCC2)C=C1F)C(=O)[O-]	REAL300003186466	0	44	0.0	-80.59	350.59	8.40	-72.19
CC(OC1=CC=C(NC(=O)C[N@@H+](C)C2CCC2)C=C1F)C(=O)[O-]	REAL300003186466	1	44	0.0	-80.17	350.55	8.43	-71.74
CC(OC1=CC=C(NC(=O)C[N@H+](C)CC(C)(C)C)C=C1F)C(=O)[O-]	REAL300003186492	0	49	0.0	-82.70	375.91	9.10	-73.60
CC(OC1=CC=C(NC(=O)C[N@@H+](C)CC(C)(C)C)C=C1F)C(=O)[O-]	REAL300003186492	1	49	0.0	-82.58	373.13	8.91	-73.67
CC(OC1=CC=C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C=C1F)C(=O)[O-]	REAL300003186494	0	50	0.0	-86.39	403.45	10.83	-75.56
CC(OC1=CC=C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C=C1F)C(=O)[O-]	REAL300003186494	1	50	0.0	-86.41	403.59	10.88	-75.53
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186495	0	54	0.0	-83.75	433.31	7.12	-76.63
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186495	1	54	0.0	-82.79	433.17	7.08	-75.71
CC[C@@H](C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1)[NH+](C)C	REAL300003186499	0	43	0.0	-78.16	334.67	7.42	-70.74
CC(OC1=CC=C(NC(=O)CC2(O)CCC[N@H+](C)C2)C=C1F)C(=O)[O-]	REAL300003186501	0	48	0.0	-75.73	375.04	6.70	-69.03
CC(OC1=CC=C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C=C1F)C(=O)[O-]	REAL300003186501	1	48	0.0	-76.79	365.50	6.50	-70.29
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186523	0	52	0.0	-83.96	408.18	10.20	-73.76
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186523	1	52	0.0	-83.96	408.09	10.15	-73.81
CC(OC1=CC=C(NC(=O)C23CCC[NH+]2CCC3)C=C1F)C(=O)[O-]	REAL300003186533	0	45	0.0	-82.92	349.18	8.38	-74.54
CC(OC1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C1F)C(=O)[O-]	REAL300003186541	1	39	0.0	-86.86	334.91	9.96	-76.90
CC(OC1=CC=C(NC(=O)C[N@H+](C)C2CCSC2)C=C1F)C(=O)[O-]	REAL300003186553	1	45	0.0	-87.39	363.63	8.65	-78.74
CC(OC1=CC=C(NC(=O)C[N@@H+](C)C2CCSC2)C=C1F)C(=O)[O-]	REAL300003186553	1	45	0.0	-88.08	363.77	8.65	-79.43
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)CC1	REAL300003186570	0	55	0.0	-80.85	419.81	7.61	-73.24
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)CC1	REAL300003186571	0	58	0.0	-78.33	441.14	8.41	-69.92
CC(C)N1CC[NH+](CCCC(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)CC1	REAL300003186571	1	58	0.0	-83.39	437.80	8.22	-75.17
CC(OC1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C=C1F)C(=O)[O-]	REAL300003186572	0	48	0.0	-77.12	361.47	9.00	-68.12
CC(OC1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C=C1F)C(=O)[O-]	REAL300003186572	1	48	0.0	-77.78	361.65	8.99	-68.79
CC(OC1=CC=C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C=C1F)C(=O)[O-]	REAL300003186574	0	47	0.0	-87.84	388.78	7.95	-79.89
CC(OC1=CC=C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C=C1F)C(=O)[O-]	REAL300003186588	1	51	0.0	-82.32	400.24	10.92	-71.40
CC(OC1=CC=C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C=C1F)C(=O)[O-]	REAL300003186588	1	51	0.0	-83.34	400.06	10.97	-72.37
CCCC(C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1)[NH+](C)C	REAL300003186607	0	46	0.0	-79.84	356.83	8.28	-71.56
CC(OC1=CC=C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C=C1F)C(=O)[O-]	REAL300003186622	0	47	0.0	-92.59	388.97	7.93	-84.66
CC(OC1=CC=C(NC(=O)C2=CC=NN2CC[NH+](C)C)C=C1F)C(=O)[O-]	REAL300003186623	0	47	0.0	-85.32	379.33	8.22	-77.10
CC(OC1=CC=C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C=C1F)C(=O)[O-]	REAL300003186626	0	44	0.0	-85.33	340.55	7.41	-77.92
CC(OC1=CC=C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C=C1F)C(=O)[O-]	REAL300003186626	1	44	0.0	-83.20	346.42	7.85	-75.35
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186628	1	48	0.0	-76.29	390.23	9.64	-66.65
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)CC[N@@H+]1C	REAL300003186631	0	47	0.0	-83.51	361.41	8.07	-75.44
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)CC[N@H+]1C	REAL300003186631	1	47	0.0	-83.13	367.04	8.46	-74.67
CC(OC1=CC=C(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C=C1F)C(=O)[O-]	REAL300003186633	1	48	0.0	-84.23	390.69	7.50	-76.73
CC(OC1=CC=C(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C=C1F)C(=O)[O-]	REAL300003186633	1	48	0.0	-86.45	390.07	7.50	-78.95
CC(OC1=CC=C(NC(=O)C2C[N@H+](C)CC(C)O2)C=C1F)C(=O)[O-]	REAL300003186640	1	45	0.0	-93.94	355.47	7.11	-86.83
CC(OC1=CC=C(NC(=O)C2C[N@@H+](C)CC(C)O2)C=C1F)C(=O)[O-]	REAL300003186640	1	45	0.0	-89.63	356.00	7.52	-82.11
CC(OC1=CC=C(NC(=O)C[NH+]2CCCC2)C=C1F)C(=O)[O-]	REAL300003186648	1	41	0.0	-82.08	330.01	7.55	-74.53
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186650	1	39	0.0	-78.08	333.72	8.05	-70.03
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186652	1	48	0.0	-83.86	375.57	7.15	-76.71
CC(OC1=CC=C(NC(=O)C[NH+]2CCC(C)CC2)C=C1F)C(=O)[O-]	REAL300003186670	1	47	0.0	-83.36	367.16	8.93	-74.43
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)C1	REAL300003186681	1	45	0.0	-88.07	359.76	7.43	-80.64
CC[N@H+]1CCOC(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)C1	REAL300003186681	1	45	0.0	-85.38	352.69	7.26	-78.12
CC(OC1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C1F)C(=O)[O-]	REAL300003186717	0	54	0.0	-82.88	410.43	10.36	-72.52
CC(OC1=CC=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C=C1F)C(=O)[O-]	REAL300003186717	1	54	0.0	-81.63	410.06	10.34	-71.29
CC(OC1=CC=C(NC(=O)CCC2CCC[N@@H+]2C)C=C1F)C(=O)[O-]	REAL300003186723	0	47	0.0	-78.72	366.20	8.44	-70.28
CC(OC1=CC=C(NC(=O)CCC2CCC[N@H+]2C)C=C1F)C(=O)[O-]	REAL300003186723	1	47	0.0	-84.91	371.56	8.91	-76.00
CC(OC1=CC=C(NC(=O)C23CCC[NH+](CCC2)C3)C=C1F)C(=O)[O-]	REAL300003186735	0	48	0.0	-81.16	361.92	8.62	-72.54
CC(OC1=CC=C(NC(=O)C2(C)CC(O)C[N@@H+]2C)C=C1F)C(=O)[O-]	REAL300003186737	1	45	0.0	-86.09	350.12	4.59	-81.50
CC(OC1=CC=C(NC(=O)C2(C)CC(O)C[N@H+]2C)C=C1F)C(=O)[O-]	REAL300003186737	1	45	0.0	-82.32	350.76	4.62	-77.70
CC(OC1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=C1F)C(=O)[O-]	REAL300003186738	0	48	0.0	-79.15	365.45	8.91	-70.24
CC(OC1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C=C1F)C(=O)[O-]	REAL300003186738	1	48	0.0	-76.43	372.07	9.36	-67.07
CC(OC1=CC=C(NC(=O)C(C)(C)C[NH+]2CCOCC2)C=C1F)C(=O)[O-]	REAL300003186745	0	51	0.0	-79.55	386.60	7.57	-71.98
CC[NH+](CC)CC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186760	0	43	0.0	-80.54	340.42	7.76	-72.78
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)CC1	REAL300003186762	0	50	0.0	-84.12	383.62	9.27	-74.85
CC(OC1=CC=C(NC(=O)C23CC[NH+](CC2)C3)C=C1F)C(=O)[O-]	REAL300003186843	0	42	0.0	-83.97	336.08	6.96	-77.01
CCC(C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1)[NH+](C)C	REAL300003186846	0	43	0.0	-77.76	334.31	7.56	-70.20
CC(OC1=CC=C(NC(=O)C23CC[N@H+](C2)CCC3)C=C1F)C(=O)[O-]	REAL300003186854	0	45	0.0	-80.15	345.79	7.65	-72.50
CC(OC1=CC=C(NC(=O)C23CC[N@@H+](C2)CCC3)C=C1F)C(=O)[O-]	REAL300003186854	1	45	0.0	-82.73	346.28	7.62	-75.11
CC(OC1=CC=C(NC(=O)C[NH+]2C(C)CCC2C)C=C1F)C(=O)[O-]	REAL300003186898	0	47	0.0	-79.15	362.15	8.45	-70.70
CC(OC1=CC=C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C=C1F)C(=O)[O-]	REAL300003186899	0	47	0.0	-82.94	382.45	9.91	-73.03
CC(OC1=CC=C(NC(=O)C2([NH+](C)C)CCC2)C=C1F)C(=O)[O-]	REAL300003186935	0	44	0.0	-81.73	338.96	7.49	-74.24
C#CC[NH+]1CCC(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)CC1	REAL300003186961	0	46	0.0	-86.99	373.80	9.22	-77.77
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186963	0	50	0.0	-79.01	376.52	9.24	-69.77
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186963	1	50	0.0	-78.40	376.75	9.25	-69.15
CC(OC1=CC=C(NC(=O)C2=CC=CC=C2C[NH+](C)C)C=C1F)C(=O)[O-]	REAL300003186964	0	47	0.0	-67.87	375.28	10.14	-57.73
CC[NH+]1CCN(CCC(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)CC1	REAL300003186966	0	52	0.0	-82.35	402.56	7.06	-75.29
CCN1CC[NH+](CCC(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)CC1	REAL300003186966	1	52	0.0	-84.44	402.89	7.08	-77.36
CC(C)[N@H+](C)CC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186967	0	43	0.0	-79.87	338.70	7.62	-72.25
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186967	1	43	0.0	-80.03	338.78	7.60	-72.43
CC(C)C(C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1)[NH+]1CCCCC1	REAL300003186968	0	53	0.0	-77.28	393.41	9.95	-67.33
CC(OC1=CC=C(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)C=C1F)C(=O)[O-]	REAL300003186969	1	47	0.0	-79.31	379.18	9.93	-69.38
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003186977	1	48	0.0	-76.02	389.70	9.58	-66.44
CC(OC1=CC=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1F)C(=O)[O-]	REAL300003186984	0	51	0.0	-78.55	387.01	9.97	-68.58
CC(OC1=CC=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1F)C(=O)[O-]	REAL300003186984	1	51	0.0	-81.96	384.29	9.72	-72.24
CC[N@H+](CC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1)C1CC1	REAL300003186986	0	44	0.0	-79.07	354.72	8.53	-70.54
CC[N@@H+](CC(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1)C1CC1	REAL300003186986	1	44	0.0	-79.70	351.07	8.46	-71.24
CC(OC1=CC=C(NC(=O)C(C)[NH+]2CCCCCC2)C=C1F)C(=O)[O-]	REAL300003187012	0	50	0.0	-77.68	373.82	8.87	-68.81
CC(OC1=CC=C(NC(=O)[C@@H]2CCC[N@@H+]2C)C=C1F)C(=O)[O-]	REAL300003187015	1	41	0.0	-80.18	325.56	7.04	-73.14
CC(OC1=CC=C(NC(=O)[C@@H]2CCC[N@H+]2C)C=C1F)C(=O)[O-]	REAL300003187015	1	41	0.0	-78.66	330.48	7.44	-71.22
CC(OC1=CC=C(NC(=O)C[NH2+]C(C)(C)C)C=C1F)C(=O)[O-]	REAL300003187096	0	43	0.0	-81.32	343.41	6.17	-75.15
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)O1	REAL300003187098	0	50	0.0	-85.34	403.57	9.59	-75.75
CC(OC1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C=C1F)C(=O)[O-]	REAL300003187099	0	50	0.0	-81.96	395.78	9.76	-72.20
CC(OC1=CC=C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C=C1F)C(=O)[O-]	REAL300003187101	1	47	0.0	-87.89	381.07	9.99	-77.90
CC(OC1=CC=C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C=C1F)C(=O)[O-]	REAL300003187101	1	47	0.0	-87.69	380.94	10.02	-77.67
CC(C)[C@@H](C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1)[NH+](C)C	REAL300003187111	0	46	0.0	-80.02	350.61	7.93	-72.09
CC(OC1=CC=C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C=C1F)C(=O)[O-]	REAL300003187154	1	43	0.0	-86.72	363.40	7.46	-79.26
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003187168	0	47	0.0	-80.00	358.50	8.58	-71.42
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003187168	1	47	0.0	-80.37	357.88	8.60	-71.77
CC(OC1=CC=C(NC(=O)COC2CC[NH+](C)CC2)C=C1F)C(=O)[O-]	REAL300003187190	0	48	0.0	-87.45	384.23	8.43	-79.02
CC(OC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1F)C(=O)[O-]	REAL300003187194	0	51	0.0	-86.87	409.54	10.03	-76.84
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)C1	REAL300003187368	0	50	0.0	-78.90	387.82	9.44	-69.46
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)C1	REAL300003187368	1	50	0.0	-74.93	381.65	9.60	-65.33
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003187396	0	50	0.0	-78.56	380.24	9.57	-68.99
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(OC(C)C(=O)[O-])C(F)=C1	REAL300003187396	1	50	0.0	-78.66	389.40	9.64	-69.02
CC(OC1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1F)C(=O)[O-]	REAL300003187397	1	48	0.0	-84.27	378.16	5.62	-78.65
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)C1	REAL300003187609	0	50	0.0	-77.23	382.96	9.21	-68.02
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)C1	REAL300003187609	1	50	0.0	-74.17	376.78	9.37	-64.80
CC(OC1=CC=C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C=C1F)C(=O)[O-]	REAL300003187610	0	44	0.0	-85.99	361.18	8.26	-77.73
CC(OC1=CC=C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C=C1F)C(=O)[O-]	REAL300003187610	1	44	0.0	-90.81	368.30	8.13	-82.68
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)N1	REAL300003187633	1	45	0.0	-77.06	374.52	7.71	-69.35
CC(OC1=CC=C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C=C1F)C(=O)[O-]	REAL300003188096	0	50	0.0	-83.51	404.94	10.74	-72.77
CC(OC1=CC=C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C=C1F)C(=O)[O-]	REAL300003188102	0	51	0.0	-88.20	413.08	9.75	-78.45
CC(OC1=CC=C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C=C1F)C(=O)[O-]	REAL300003188237	0	44	0.0	-79.20	353.83	8.17	-71.03
CC(OC1=CC=C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C=C1F)C(=O)[O-]	REAL300003188241	0	50	0.0	-72.74	376.98	9.13	-63.61
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)C1	REAL300003188306	0	53	0.0	-75.63	399.25	10.30	-65.33
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)C1	REAL300003188306	1	53	0.0	-75.63	399.25	10.30	-65.33
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)C1	REAL300003188307	0	47	0.0	-74.50	360.30	8.87	-65.63
CC[N@H+]1CCCC(C(=O)NC2=CC=C(OC(C)C(=O)[O-])C(F)=C2)C1	REAL300003188307	1	47	0.0	-74.50	360.30	8.87	-65.63
CC(OC1=CC=C(NC(=O)C2CCC[N@H+](C)C2)C=C1F)C(=O)[O-]	REAL300003188312	0	44	0.0	-82.00	348.82	8.05	-73.95
CC(OC1=CC=C(NC(=O)C2CCC[N@@H+](C)C2)C=C1F)C(=O)[O-]	REAL300003188312	1	44	0.0	-82.00	348.82	8.05	-73.95
CC(OC1=CC=C(NC(=O)C2=CC=C(CN(C)C)O2)C=C1F)C(=O)[O-]	REAL300003188314	0	44	0.0	-88.48	368.99	8.25	-80.23
CC(OC1=CC=C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C=C1F)C(=O)[O-]	REAL300003188314	1	44	0.0	-88.48	368.99	8.25	-80.23
CC(OC1=CC=C(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)C=C1F)C(=O)[O-]	REAL300003188320	0	53	0.0	-82.87	394.30	9.54	-73.33
CC(OC1=CC=C(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C=C1F)C(=O)[O-]	REAL300003188320	1	53	0.0	-82.87	394.30	9.54	-73.33
CC(OC1=CC=C(NC(=O)C23CC(C2)CN3C2CC2)C=C1F)C(=O)[O-]	REAL300003188323	0	46	0.0	-79.99	362.70	9.12	-70.87
CC(OC1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1F)C(=O)[O-]	REAL300003188323	1	46	0.0	-79.47	361.05	9.40	-70.07
CC(OC1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1F)C(=O)[O-]	REAL300003188323	1	46	0.0	-79.47	361.05	9.40	-70.07
C[N@@H+]1CCCC[C@H]1C(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300003188596	0	47	0.0	-56.64	354.60	9.97	-46.67
C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCC3=CC(Br)=CC=C3C2)CC1	REAL300003188603	0	47	0.0	-74.17	369.77	10.50	-63.67
C[N@@H+]1CCCC1C(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300003188620	0	44	0.0	-60.61	345.21	9.30	-51.31
C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CCC3=CC(Br)=CC=C3C2)CC1	REAL300003188634	0	47	0.0	-74.17	369.77	10.50	-63.67
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300003188648	0	44	0.0	-55.39	351.47	9.90	-45.49
C[NH+](C)CC1(C(=O)NC2(C(=O)[O-])CCC3=CC(Br)=CC=C3C2)CC1	REAL300003188690	0	47	0.0	-62.34	372.26	11.10	-51.24
C[NH+](C)CCCCC(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300003188691	0	49	0.0	-72.54	390.53	10.99	-61.55
CCC[N@H+](C)CC(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300003188696	0	46	0.0	-56.13	364.41	10.17	-45.96
CCC[N@@H+](C)CC(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300003188696	1	46	0.0	-56.13	364.41	10.17	-45.96
C[N@H+](CC(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1)C1CCC1	REAL300003188699	0	47	0.0	-53.70	371.30	10.74	-42.96
CC[C@@H](C(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1)[NH+](C)C	REAL300003188703	0	46	0.0	-51.65	355.42	9.68	-41.97
C[C@@H]1[C@H](C(=O)NC2(C(=O)[O-])CCC3=CC(Br)=CC=C3C2)CC[N@@H+]1C	REAL300003188719	0	47	0.0	-63.86	362.72	9.86	-54.00
C[C@@H]1[C@H](C(=O)NC2(C(=O)[O-])CCC3=CC(Br)=CC=C3C2)CC[N@H+]1C	REAL300003188719	1	47	0.0	-63.86	362.72	9.86	-54.00
CC1=NC=CN1CC(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300003188722	0	42	0.0	-54.68	354.65	10.48	-44.20
CC1=[NH+]C=CN1CC(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300003188722	1	42	0.0	-54.68	354.65	10.48	-44.20
CC[NH+](CC)CC(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300003188738	0	46	0.0	-54.58	356.80	9.86	-44.72
O=C([O-])C1(NC(=O)C23CC[NH+](CC2)C3)CCC2=CC(Br)=CC=C2C1	REAL300003188742	0	45	0.0	-69.15	356.66	9.38	-59.77
CCC(C(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1)[NH+](C)C	REAL300003188744	0	46	0.0	-51.61	355.87	9.68	-41.93
CC(C)[N@H+](C)CC(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300003188757	0	46	0.0	-53.58	359.58	9.98	-43.60
CC(C)[N@@H+](C)CC(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300003188757	1	46	0.0	-53.58	359.58	9.98	-43.60
CC[N@H+](CC(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1)C1CC1	REAL300003188760	0	47	0.0	-54.08	371.53	10.73	-43.35
C[N@@H+]1CCC[C@H]1C(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300003188763	0	44	0.0	-52.04	341.09	9.17	-42.87
CC(C)(C)[NH2+]CC(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300003188773	0	46	0.0	-54.68	364.16	8.57	-46.11
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C(=O)[O-])CCC3=CC(Br)=CC=C3C2)C1	REAL300003188880	0	47	0.0	-64.23	374.72	10.57	-53.66
C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCC3=CC(Br)=CC=C3C2)C1	REAL300003188887	0	47	0.0	-49.99	360.72	10.52	-39.47
C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CCC3=CC(Br)=CC=C3C2)C1	REAL300003188887	1	47	0.0	-49.99	360.72	10.52	-39.47
COC1=CC=C([C@H](C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300003188966	0	51	0.0	-51.48	384.87	6.98	-44.50
COC1=C(C)C=C(Cl)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003189122	1	44	0.0	-47.10	353.22	7.66	-39.44
COC1=C(C)C=C(Cl)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003189122	1	44	0.0	-49.53	351.67	8.02	-41.51
COC1=CC=C(C(C)(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300003189226	0	50	0.0	-51.07	378.81	8.07	-43.00
COC1=CC=C(C(C)(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300003189226	1	50	0.0	-53.92	378.68	8.07	-45.85
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)C1	REAL300003189346	0	47	0.0	-56.97	369.79	9.28	-47.69
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)C1	REAL300003189346	1	47	0.0	-56.23	369.94	9.29	-46.94
CC(C)C1=CC(Cl)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003189493	0	46	0.0	-47.84	357.42	9.55	-38.29
CC(C)C1=CC(Cl)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003189493	1	46	0.0	-49.74	358.24	10.00	-39.74
C[C@@H]1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C[C@@H](C(=O)[O-])O1	REAL300003190878	0	51	0.0	-63.37	381.65	10.10	-53.27
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300003191655	0	48	0.0	-50.74	357.62	9.10	-41.64
C[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300003191655	1	48	0.0	-51.21	357.62	9.09	-42.12
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003192457	1	48	0.0	-57.32	379.83	10.02	-47.30
C[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003192457	1	48	0.0	-55.72	377.91	9.96	-45.76
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)CN12	REAL300003192549	1	43	0.0	-54.24	329.15	7.62	-46.62
C[C@@H]1CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300003192550	0	51	0.0	-77.74	379.27	9.99	-67.75
CC1=NC(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)CC2)=CS1	REAL300003192615	1	50	0.0	-62.92	388.84	8.15	-54.77
C[C@@H]1CN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003192693	0	54	0.0	-67.23	415.41	9.79	-57.44
C[C@@H]1CN(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C[C@@H](C(=O)[O-])O1	REAL300003192707	0	54	0.0	-71.15	413.89	11.72	-59.43
C[C@@H]1CN(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C[C@@H](C(=O)[O-])O1	REAL300003192707	1	54	0.0	-70.23	416.33	11.78	-58.45
C[C@@H]1CN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C[C@@H](C(=O)[O-])O1	REAL300003192708	0	54	0.0	-72.90	381.76	9.92	-62.98
C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H](C(=O)[O-])O1	REAL300003192791	0	50	0.0	-56.52	335.98	8.43	-48.09
C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H](C(=O)[O-])O1	REAL300003192794	0	50	0.0	-58.48	359.76	8.66	-49.82
C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H](C(=O)[O-])O1	REAL300003192794	1	50	0.0	-58.24	359.75	8.65	-49.59
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003192818	1	51	0.0	-54.80	384.87	10.22	-44.58
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003192818	1	51	0.0	-53.96	383.97	10.14	-43.82
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003192819	1	48	0.0	-58.32	369.50	9.57	-48.75
C[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003192819	1	48	0.0	-56.65	367.59	9.51	-47.14
C[C@@H]1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003192873	0	44	0.0	-66.43	349.80	7.30	-59.13
C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)C[C@@H](C(=O)[O-])O1	REAL300003192878	0	54	0.0	-71.00	416.44	9.39	-61.61
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@@H](C(=O)[O-])O1	REAL300003192904	0	51	0.0	-51.52	350.82	8.66	-42.86
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C[C@@H](C(=O)[O-])O1	REAL300003192904	1	51	0.0	-50.29	356.03	8.73	-41.56
C[C@@H]1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@@H](C(=O)[O-])O1	REAL300003192905	0	52	0.0	-60.83	363.07	6.90	-53.93
C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H](C(=O)[O-])O1	REAL300003192933	1	48	0.0	-64.63	359.64	6.64	-57.99
CC[N@H+](CC1=CC=C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1)C(C)C	REAL300003192935	0	53	0.0	-64.33	378.18	9.45	-54.88
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1)C(C)C	REAL300003192935	1	53	0.0	-86.11	370.22	9.30	-76.81
C[C@@H]1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003192959	0	48	0.0	-60.70	363.04	9.33	-51.37
C[C@@H]1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003192959	1	48	0.0	-60.38	362.72	9.35	-51.03
C[C@@H]1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C[C@@H](C(=O)[O-])O1	REAL300003192960	0	49	0.0	-65.10	364.66	8.81	-56.29
C[C@@H]1CN(C(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C[C@@H](C(=O)[O-])O1	REAL300003192983	1	53	0.0	-60.94	384.88	7.19	-53.75
C[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@@H](C(=O)[O-])O1	REAL300003192984	0	52	0.0	-58.27	354.44	6.72	-51.55
CC(C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300003192987	0	47	0.0	-53.78	354.63	8.96	-44.82
CC(C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003192987	1	47	0.0	-53.25	354.09	8.97	-44.28
C[C@@H]1CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003192997	0	54	0.0	-58.56	395.49	10.85	-47.71
C[C@@H]1CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003192997	1	54	0.0	-57.31	395.36	10.87	-46.44
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C[C@@H](C(=O)[O-])O1	REAL300003193028	0	43	0.0	-66.25	335.27	6.24	-60.01
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300003193039	0	52	0.0	-60.82	383.74	9.24	-51.58
C[C@@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C[C@@H](C(=O)[O-])O1	REAL300003193040	1	52	0.0	-50.88	385.97	6.81	-44.07
CC[N@H+](C)C(C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300003193041	0	47	0.0	-52.82	341.09	8.77	-44.05
CC[N@@H+](C)C(C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300003193041	1	47	0.0	-50.73	349.60	8.92	-41.81
CC[NH+](CC)C(C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300003193046	0	50	0.0	-49.97	361.17	9.25	-40.72
C[C@@H]1CN(C(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C[C@@H](C(=O)[O-])O1	REAL300003193052	1	44	0.0	-55.34	350.05	8.84	-46.50
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003193066	0	48	0.0	-66.17	363.74	9.29	-56.88
C[C@@H]1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C[C@@H](C(=O)[O-])O1	REAL300003193073	0	51	0.0	-66.00	381.22	10.05	-55.95
CCN1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)CC2)CC1	REAL300003193079	0	59	0.0	-61.11	411.59	7.62	-53.49
CC1C[NH+](CC2=CC=C(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)C=C2)CC(C)O1	REAL300003193086	1	55	0.0	-67.10	415.08	9.16	-57.94
C[C@@H]1CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@@H](C(=O)[O-])O1	REAL300003193095	1	52	0.0	-66.36	395.73	9.59	-56.77
C[C@@H]1CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@@H](C(=O)[O-])O1	REAL300003193095	1	52	0.0	-65.57	385.43	9.07	-56.50
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300003193109	0	51	0.0	-50.95	378.51	10.15	-40.80
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300003193109	1	51	0.0	-51.23	370.62	9.80	-41.43
CC1=C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300003193111	1	42	0.0	-72.97	338.20	6.61	-66.36
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003193119	0	51	0.0	-66.09	381.37	10.07	-56.02
C[C@@H]1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C[C@@H](C(=O)[O-])O1	REAL300003193131	1	44	0.0	-73.06	342.79	7.49	-65.57
C[C@@H]1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003193132	0	47	0.0	-70.33	362.28	9.05	-61.28
C[C@@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@@H](C(=O)[O-])O1	REAL300003193140	1	49	0.0	-78.95	364.45	8.66	-70.29
C[C@@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@@H](C(=O)[O-])O1	REAL300003193140	1	49	0.0	-85.53	371.99	8.86	-76.67
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300003193146	0	58	0.0	-61.56	421.40	10.44	-51.12
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300003193146	1	58	0.0	-62.33	420.26	10.70	-51.63
CC(C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003193154	0	57	0.0	-54.85	417.64	11.41	-43.44
CC(C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[NH+]1CCSCC1	REAL300003193186	1	42	0.0	-54.78	318.38	6.93	-47.85
C[C@@H]1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300003193193	0	47	0.0	-59.55	360.48	9.42	-50.13
C[C@@H]1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300003193193	1	47	0.0	-59.57	360.48	9.42	-50.15
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300003193194	0	51	0.0	-59.82	389.48	5.67	-54.15
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300003193194	1	51	0.0	-60.72	389.52	5.68	-55.04
C[C@@H]1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C[C@@H](C(=O)[O-])O1	REAL300003193197	0	45	0.0	-58.37	331.72	5.38	-52.99
C[C@@H]1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C[C@@H](C(=O)[O-])O1	REAL300003193197	1	45	0.0	-59.73	328.95	5.47	-54.26
C[C@@H]1CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@@H](C(=O)[O-])O1	REAL300003193205	0	56	0.0	-65.19	415.64	9.19	-56.00
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C[C@@H](C(=O)[O-])O1	REAL300003193206	1	50	0.0	-56.00	362.26	7.88	-48.12
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C[C@@H](C(=O)[O-])O1	REAL300003193206	1	50	0.0	-54.79	365.48	8.10	-46.69
C[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C[C@@H](C(=O)[O-])O1	REAL300003193207	1	50	0.0	-54.90	362.30	7.92	-46.98
C[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C[C@@H](C(=O)[O-])O1	REAL300003193207	1	50	0.0	-52.61	373.11	8.27	-44.34
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300003193208	0	49	0.0	-56.47	365.10	8.75	-47.72
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300003193208	1	49	0.0	-56.48	365.07	8.75	-47.73
C[C@@H]1CN(C(=O)C[N@H+](C)C2CCSC2)C[C@@H](C(=O)[O-])O1	REAL300003193232	0	42	0.0	-60.01	320.72	7.27	-52.74
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCSC2)C[C@@H](C(=O)[O-])O1	REAL300003193232	1	42	0.0	-60.44	322.27	7.24	-53.20
CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1	REAL300003193243	0	52	0.0	-60.89	372.84	6.00	-54.89
CC(C)N1CC[NH+](CCC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1	REAL300003193243	1	52	0.0	-58.56	373.18	6.04	-52.52
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1	REAL300003193244	0	55	0.0	-61.25	397.03	6.89	-54.36
CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1	REAL300003193244	1	55	0.0	-61.37	395.01	6.86	-54.51
C[C@@H]1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C[C@@H](C(=O)[O-])O1	REAL300003193246	0	44	0.0	-72.72	342.31	6.15	-66.57
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)CC2)=C1	REAL300003193251	0	56	0.0	-62.85	415.55	9.07	-53.78
C[C@@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@@H](C(=O)[O-])O1	REAL300003193253	0	53	0.0	-62.79	393.63	8.35	-54.44
C[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003193257	0	50	0.0	-59.40	367.76	8.14	-51.26
C[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003193257	1	50	0.0	-80.01	376.09	8.21	-71.80
CC(C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003193262	1	48	0.0	-53.22	358.12	9.38	-43.84
CC(C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003193262	1	48	0.0	-53.30	357.70	9.36	-43.94
C[C@@H]1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003193290	0	51	0.0	-63.91	386.80	10.31	-53.60
C[C@@H]1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003193290	1	51	0.0	-63.94	386.38	10.29	-53.65
C[C@@H]1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003193302	0	44	0.0	-65.61	342.81	6.81	-58.80
C[C@@H]1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C[C@@H](C(=O)[O-])O1	REAL300003193303	0	44	0.0	-63.00	337.61	6.21	-56.79
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300003193308	1	45	0.0	-53.58	347.30	8.26	-45.32
C[C@@H]1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C[C@@H](C(=O)[O-])O1	REAL300003193311	1	45	0.0	-71.24	338.50	5.99	-65.25
C[C@@H]1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C[C@@H](C(=O)[O-])O1	REAL300003193311	1	45	0.0	-70.49	344.09	6.37	-64.12
C[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003193322	0	51	0.0	-78.35	379.13	10.27	-68.08
C[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003193322	1	51	0.0	-64.08	388.62	10.18	-53.90
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C[C@@H](C(=O)[O-])O1	REAL300003193323	1	47	0.0	-50.62	358.35	7.88	-42.74
C[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C[C@@H](C(=O)[O-])O1	REAL300003193323	1	47	0.0	-52.08	353.51	7.26	-44.82
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300003193327	0	45	0.0	-78.75	331.27	5.49	-73.26
C[C@@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C[C@@H](C(=O)[O-])O1	REAL300003193328	0	52	0.0	-63.57	391.84	7.82	-55.75
C[C@@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C[C@@H](C(=O)[O-])O1	REAL300003193375	0	51	0.0	-57.70	362.46	8.74	-48.96
C[C@@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C[C@@H](C(=O)[O-])O1	REAL300003193375	1	51	0.0	-57.86	363.14	8.74	-49.12
C[C@@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C[C@@H](C(=O)[O-])O1	REAL300003193395	0	56	0.0	-64.89	409.31	9.56	-55.33
C[C@@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C[C@@H](C(=O)[O-])O1	REAL300003193395	1	56	0.0	-70.18	402.88	9.17	-61.01
C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H](C(=O)[O-])O1	REAL300003193402	0	48	0.0	-53.67	331.31	5.42	-48.25
CC(C)[N@@H+]1CCC(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003193405	0	57	0.0	-64.77	407.90	8.81	-55.96
CC(C)[N@H+]1CCC(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003193405	1	57	0.0	-64.40	414.84	8.44	-55.96
C[C@@H]1CN(C(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C[C@@H](C(=O)[O-])O1	REAL300003193406	0	51	0.0	-67.50	387.52	7.76	-59.74
C[C@@H]1CN(C(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C[C@@H](C(=O)[O-])O1	REAL300003193406	1	51	0.0	-67.20	386.52	7.74	-59.46
C[C@@H]1CN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C[C@@H](C(=O)[O-])O1	REAL300003193412	0	53	0.0	-65.40	398.28	7.61	-57.79
C[C@@H]1CN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003193413	0	53	0.0	-69.42	396.32	7.57	-61.85
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003193413	1	53	0.0	-67.06	395.92	7.46	-59.60
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1	REAL300003193414	0	54	0.0	-64.32	398.26	8.99	-55.33
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003193516	0	55	0.0	-68.42	412.73	7.32	-61.10
C[C@@H]1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C[C@@H](C(=O)[O-])O1	REAL300003193520	0	44	0.0	-68.16	338.80	8.18	-59.98
C[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003193521	0	51	0.0	-72.48	372.83	10.14	-62.34
C[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003193521	1	51	0.0	-55.82	373.84	10.24	-45.58
C[C@@H]1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C[C@@H](C(=O)[O-])O1	REAL300003193577	0	44	0.0	-59.00	336.34	8.19	-50.81
CC[NH+]1CCN(CCC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1	REAL300003193579	0	49	0.0	-61.93	359.43	5.67	-56.26
CCN1CC[NH+](CCC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)CC1	REAL300003193579	1	49	0.0	-58.60	358.29	5.54	-53.06
CC(C)C(C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[NH+]1CCCCC1	REAL300003193582	0	50	0.0	-51.34	341.09	8.26	-43.08
C[C@@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C[C@@H](C(=O)[O-])O1	REAL300003193583	1	44	0.0	-53.66	329.59	8.22	-45.44
C[C@@H]1CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003193587	0	49	0.0	-57.77	372.22	6.42	-51.35
C[C@@H]1CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C[C@@H](C(=O)[O-])O1	REAL300003193587	1	49	0.0	-57.20	368.83	6.36	-50.84
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300003193592	1	45	0.0	-53.49	346.79	8.20	-45.29
C[C@@H]1CN(C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C[C@@H](C(=O)[O-])O1	REAL300003193593	0	47	0.0	-68.12	357.94	8.74	-59.38
C[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@@H](C(=O)[O-])O1	REAL300003193597	0	48	0.0	-51.82	343.83	8.30	-43.52
C[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@@H](C(=O)[O-])O1	REAL300003193597	1	48	0.0	-51.66	345.71	8.38	-43.28
CC(C)C(C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300003193621	1	54	0.0	-50.87	371.95	6.72	-44.15
C[C@@H]1CN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C[C@@H](C(=O)[O-])O1	REAL300003193648	1	49	0.0	-65.13	374.92	8.61	-56.52
C[C@@H]1CN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C[C@@H](C(=O)[O-])O1	REAL300003193648	1	49	0.0	-73.93	372.69	8.53	-65.40
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)O1	REAL300003193701	0	47	0.0	-60.54	354.36	7.99	-52.55
CC1=CC=C(N2CCC(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)CC2)[NH+]=C1	REAL300003193702	1	50	0.0	-57.39	374.01	7.79	-49.60
C[C@@H]1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300003193703	1	44	0.0	-57.58	338.05	8.58	-49.00
C[C@@H]1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300003193703	1	44	0.0	-57.64	338.03	8.59	-49.05
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300003193706	0	56	0.0	-65.19	405.25	8.48	-56.71
C[C@@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@@H](C(=O)[O-])O1	REAL300003193717	1	39	0.0	-71.66	318.35	6.13	-65.53
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300003193751	0	51	0.0	-60.61	376.23	9.61	-51.00
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300003193751	1	51	0.0	-60.76	376.01	9.63	-51.13
C[C@@H]1CN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C[C@@H](C(=O)[O-])O1	REAL300003193769	0	52	0.0	-85.20	402.83	9.50	-75.70
C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H](C(=O)[O-])O1	REAL300003193784	0	45	0.0	-65.55	341.29	7.17	-58.38
C[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C[C@@H](C(=O)[O-])O1	REAL300003193788	0	48	0.0	-58.38	363.35	8.55	-49.83
C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C[C@@H](C(=O)[O-])O1	REAL300003193819	0	50	0.0	-56.52	374.40	8.18	-48.34
C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C[C@@H](C(=O)[O-])O1	REAL300003193819	1	50	0.0	-53.34	369.77	7.98	-45.36
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O=C([O-])C1=CCC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300003198223	0	48	0.0	-71.87	358.42	8.58	-63.29
O=C([O-])C1=CCC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300003198223	1	48	0.0	-72.86	358.36	8.49	-64.37
O=C([O-])C1=CCC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300003198238	0	53	0.0	-76.75	404.74	9.18	-67.57
O=C([O-])C1=CCC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300003198238	1	53	0.0	-77.83	404.33	8.74	-69.09
CC(C)[N@@H+]1CCC(C(=O)NC2CC=C(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003198244	0	54	0.0	-80.81	404.18	8.11	-72.70
CC(C)[N@H+]1CCC(C(=O)NC2CC=C(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003198244	1	54	0.0	-80.80	404.14	8.11	-72.69
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2CC=C(C(=O)[O-])C2)C=N1	REAL300003198245	0	48	0.0	-76.32	369.71	7.02	-69.30
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2CC=C(C(=O)[O-])C2)C=N1	REAL300003198245	1	48	0.0	-79.43	359.02	6.72	-72.71
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3CC=C(C(=O)[O-])C3)=C2)CC1	REAL300003198249	0	50	0.0	-73.54	389.85	7.53	-66.01
C[NH+]1CCN(CC2=CC=C(C(=O)NC3CC=C(C(=O)[O-])C3)C=C2)CC1	REAL300003198250	0	50	0.0	-76.14	388.91	7.35	-68.79
CN1CC[NH+](CC2=CC=C(C(=O)NC3CC=C(C(=O)[O-])C3)C=C2)CC1	REAL300003198250	1	50	0.0	-80.41	389.13	7.42	-72.99
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2CC=C(C(=O)[O-])C2)C=C1	REAL300003198251	0	51	0.0	-77.46	396.04	9.25	-68.21
O=C([O-])C1=CCC(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300003198312	0	52	0.0	-81.81	404.29	7.28	-74.53
O=C([O-])C1=CCC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003198314	0	48	0.0	-72.70	374.12	9.81	-62.89
O=C([O-])C1=CCC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003198314	1	48	0.0	-70.51	367.77	10.01	-60.50
O=C([O-])C1=CCC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003198366	0	46	0.0	-71.21	366.74	6.09	-65.12
O=C([O-])C1=CCC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003198366	1	46	0.0	-71.47	366.16	6.04	-65.43
C[NH+](C)CC1=C(C(=O)NC2CC=C(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300003198370	0	44	0.0	-67.57	358.34	8.47	-59.10
CC[NH+](CC)C(C(=O)NC1CC=C(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003198372	0	50	0.0	-66.28	391.49	10.11	-56.17
CC(C)C(C(=O)NC1CC=C(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300003198397	1	51	0.0	-62.09	375.77	7.80	-54.29
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CC=C(C(=O)[O-])C3)=CC=C1N2	REAL300003198418	1	46	0.0	-80.17	366.12	8.52	-71.65
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CC=C(C(=O)[O-])C3)=CC=C1N2	REAL300003198418	1	46	0.0	-79.96	366.17	8.52	-71.44
CC[NH+](CC)CC1=CC=C(C(=O)NC2CC=C(C(=O)[O-])C2)O1	REAL300003198467	0	44	0.0	-69.44	349.23	7.53	-61.91
CC1=CC=C(N2CCC(C(=O)NC3CC=C(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300003198469	1	47	0.0	-70.53	367.06	7.69	-62.84
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3CC=C(C(=O)[O-])C3)C=C2)CC1	REAL300003198472	0	53	0.0	-78.10	399.07	8.49	-69.61
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1CC=C(C(=O)[O-])C1	REAL300003198511	0	48	0.0	-78.21	377.30	9.70	-68.51
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1CC=C(C(=O)[O-])C1	REAL300003198511	1	48	0.0	-79.42	377.40	9.71	-69.71
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2CC=C(C(=O)[O-])C2)C=C1	REAL300003198527	0	49	0.0	-74.51	395.84	9.09	-65.42
O=C([O-])C1=CCC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300003198542	0	45	0.0	-75.71	358.10	8.21	-67.50
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2CC=C(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003198567	0	47	0.0	-73.78	367.07	7.82	-65.96
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2CC=C(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003198567	1	47	0.0	-64.51	365.98	7.91	-56.60
O=C([O-])C1=CCC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300003198751	0	49	0.0	-78.63	381.59	10.09	-68.54
O=C([O-])C1=CCC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300003198751	1	49	0.0	-79.36	384.28	10.08	-69.28
O=C([O-])C1=CCC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300003198777	1	48	0.0	-70.52	368.50	9.69	-60.83
O=C([O-])C1=CCC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300003198777	1	48	0.0	-73.81	378.02	9.83	-63.98
C[N@@H+]1CC(C(=O)NC2CC=C(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003198839	0	38	0.0	-81.38	316.89	6.36	-75.02
C[N@H+]1CC(C(=O)NC2CC=C(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003198839	1	38	0.0	-75.42	305.56	6.17	-69.25
C[NH+](C)CCC1=CC=CC(C(=O)NC2CC=C(C(=O)[O-])C2)=C1	REAL300003199181	0	44	0.0	-74.79	353.96	8.96	-65.83
C[NH+](C)CCOC1=CC=C(C(=O)NC2CC=C(C(=O)[O-])C2)C=C1	REAL300003199185	0	45	0.0	-78.94	360.84	7.91	-71.03
O=C([O-])C1=CCC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300003199249	0	51	0.0	-75.01	392.69	10.55	-64.46
CC1C[N@H+](CC2=CC=C(C(=O)NC3CC=C(C(=O)[O-])C3)C=C2)CCO1	REAL300003199251	1	49	0.0	-82.29	385.14	8.32	-73.97
CC1C[N@@H+](CC2=CC=C(C(=O)NC3CC=C(C(=O)[O-])C3)C=C2)CCO1	REAL300003199251	1	49	0.0	-76.27	385.60	8.32	-67.95
C[N@@H+]1CCCC[C@H]1C(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1	REAL300003199596	0	47	0.0	-59.75	373.60	9.67	-50.08
C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC2(C)C2=CC=C(Br)C=C2)CC1	REAL300003199603	0	47	0.0	-80.07	383.63	10.59	-69.48
C[N@@H+]1CCCC1C(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1	REAL300003199620	0	44	0.0	-60.87	364.67	9.94	-50.93
C[NH+]1CCC(C(=O)NC2(C(=O)[O-])CC2(C)C2=CC=C(Br)C=C2)CC1	REAL300003199634	0	47	0.0	-80.07	383.63	10.59	-69.48
C[N@@H+]1CCC[C@@H]1C(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1	REAL300003199648	0	44	0.0	-61.66	361.90	9.94	-51.72
C[NH+](C)CC1(C(=O)NC2(C(=O)[O-])CC2(C)C2=CC=C(Br)C=C2)CC1	REAL300003199690	0	47	0.0	-74.88	390.22	10.60	-64.28
C[NH+](C)CCCCC(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1	REAL300003199691	0	49	0.0	-70.63	406.53	10.56	-60.07
CCC[N@H+](C)CC(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1	REAL300003199696	0	46	0.0	-57.38	376.75	10.27	-47.11
CCC[N@@H+](C)CC(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1	REAL300003199696	1	46	0.0	-57.38	376.75	10.27	-47.11
C[N@H+](CC(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1)C1CCC1	REAL300003199699	0	47	0.0	-61.33	386.35	10.69	-50.64
CC[C@@H](C(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1)[NH+](C)C	REAL300003199703	0	46	0.0	-58.96	370.91	9.60	-49.36
C[C@@H]1[C@H](C(=O)NC2(C(=O)[O-])CC2(C)C2=CC=C(Br)C=C2)CC[N@@H+]1C	REAL300003199719	0	47	0.0	-69.56	382.70	10.19	-59.37
C[C@@H]1[C@H](C(=O)NC2(C(=O)[O-])CC2(C)C2=CC=C(Br)C=C2)CC[N@H+]1C	REAL300003199719	1	47	0.0	-69.56	382.70	10.19	-59.37
CC1=NC=CN1CC(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1	REAL300003199722	0	42	0.0	-57.90	366.95	10.56	-47.34
CC1=[NH+]C=CN1CC(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1	REAL300003199722	1	42	0.0	-57.90	366.95	10.56	-47.34
CC[NH+](CC)CC(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1	REAL300003199738	0	46	0.0	-56.24	377.58	9.70	-46.54
CC1(C2=CC=C(Br)C=C2)CC1(NC(=O)C12CC[NH+](CC1)C2)C(=O)[O-]	REAL300003199742	0	45	0.0	-74.11	368.54	9.42	-64.69
CCC(C(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1)[NH+](C)C	REAL300003199744	0	46	0.0	-56.21	368.85	9.44	-46.77
CC(C)[N@H+](C)CC(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1	REAL300003199757	0	46	0.0	-54.98	371.49	9.94	-45.04
CC(C)[N@@H+](C)CC(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1	REAL300003199757	1	46	0.0	-54.98	371.49	9.94	-45.04
CC[N@H+](CC(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1)C1CC1	REAL300003199760	0	47	0.0	-62.76	381.86	10.63	-52.13
C[N@@H+]1CCC[C@H]1C(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1	REAL300003199763	0	44	0.0	-61.87	361.69	8.84	-53.03
CC(C)(C)[NH2+]CC(=O)NC1(C(=O)[O-])CC1(C)C1=CC=C(Br)C=C1	REAL300003199773	0	46	0.0	-55.22	380.12	8.15	-47.07
C[NH+](C)[C@H]1C[C@H](C(=O)NC2(C(=O)[O-])CC2(C)C2=CC=C(Br)C=C2)C1	REAL300003199880	0	47	0.0	-74.91	388.58	10.63	-64.28
C[N@@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC2(C)C2=CC=C(Br)C=C2)C1	REAL300003199887	0	47	0.0	-66.38	382.08	10.55	-55.83
C[N@H+]1CCCC(C(=O)NC2(C(=O)[O-])CC2(C)C2=CC=C(Br)C=C2)C1	REAL300003199887	1	47	0.0	-66.38	382.08	10.55	-55.83
CC(C)CCO[C@H]1CC[C@H](NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003199965	0	59	0.0	-49.44	433.90	9.17	-40.27
COCC1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300003200132	0	48	0.0	-45.25	346.76	4.73	-40.52
COCC1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300003200132	1	48	0.0	-45.03	345.59	4.28	-40.75
O=C([O-])C1N(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC12CCCC2	REAL300003201483	0	54	0.0	-85.42	402.74	12.52	-72.90
O=C([O-])C1N(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC12CCCC2	REAL300003202253	0	51	0.0	-70.88	384.21	12.05	-58.83
O=C([O-])C1N(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC12CCCC2	REAL300003202253	1	51	0.0	-61.57	381.27	10.85	-50.72
O=C([O-])C1N(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC12CCCC2	REAL300003203102	1	51	0.0	-55.54	398.17	11.37	-44.17
O=C([O-])C1N(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC12CCCC2	REAL300003203102	1	51	0.0	-69.18	394.91	11.91	-57.27
O=C([O-])C1N(C(=O)C2CC[NH+](C3CC3)CC2)CC12CCCC2	REAL300003203177	0	48	0.0	-78.84	351.23	10.19	-68.65
CC1=[NH+]C=C2CCC(C(=O)N3CC4(CCCC4)C3C(=O)[O-])CN12	REAL300003203205	1	46	0.0	-71.69	345.87	9.92	-61.77
O=C([O-])C1N(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC12CCCC2	REAL300003203206	0	54	0.0	-67.37	395.22	11.30	-56.07
CC1=NC(C[NH+]2CCC(C(=O)N3CC4(CCCC4)C3C(=O)[O-])CC2)=CS1	REAL300003203282	1	53	0.0	-87.13	407.47	10.23	-76.90
CC(C(=O)N1CC2(CCCC2)C1C(=O)[O-])N1CC[NH+](C)CC1	REAL300003203283	1	49	0.0	-76.19	347.76	6.93	-69.26
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC3(CCCC3)C2C(=O)[O-])C=C1	REAL300003203367	0	57	0.0	-89.49	435.75	12.14	-77.35
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])=C1	REAL300003203379	0	57	0.0	-87.49	431.74	14.09	-73.40
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])=C1	REAL300003203379	1	57	0.0	-86.77	431.18	14.09	-72.68
CC1(C(=O)N2CC3(CCCC3)C2C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300003203381	0	57	0.0	-60.73	411.16	11.90	-48.83
C[NH+](C)CC1(C(=O)N2CC3(CCCC3)C2C(=O)[O-])CCCCC1	REAL300003203466	0	53	0.0	-80.55	357.71	9.89	-70.66
C[N@H+](CCC(=O)N1CC2(CCCC2)C1C(=O)[O-])C1CCCCC1	REAL300003203470	0	53	0.0	-76.12	380.10	10.98	-65.14
C[N@@H+](CCC(=O)N1CC2(CCCC2)C1C(=O)[O-])C1CCCCC1	REAL300003203470	1	53	0.0	-76.51	380.08	10.99	-65.52
O=C([O-])C1N(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC12CCCC2	REAL300003203493	1	54	0.0	-67.49	405.10	12.57	-54.92
O=C([O-])C1N(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC12CCCC2	REAL300003203493	1	54	0.0	-67.15	394.00	12.02	-55.13
O=C([O-])C1N(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC12CCCC2	REAL300003203494	1	51	0.0	-56.15	387.86	10.92	-45.23
O=C([O-])C1N(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC12CCCC2	REAL300003203494	1	51	0.0	-69.99	384.59	11.46	-58.53
O=C([O-])C1N(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC12CCCC2	REAL300003203551	0	47	0.0	-94.89	366.71	9.66	-85.23
C[NH+](C)CCN1N=CC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])=C1C1=CC=CC=C1	REAL300003203556	0	57	0.0	-91.03	430.12	11.68	-79.35
O=C([O-])C1N(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC12CCCC2	REAL300003203581	0	54	0.0	-66.37	368.87	10.87	-55.50
O=C([O-])C1N(C(=O)C2CCCC[N@H+]2C2CCCC2)CC12CCCC2	REAL300003203581	1	54	0.0	-65.31	377.65	11.19	-54.12
O=C([O-])C1N(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC12CCCC2	REAL300003203582	0	55	0.0	-90.07	390.58	9.51	-80.56
CC1=[NH+]C=CN1CCCC(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003203613	1	45	0.0	-76.82	352.65	10.30	-66.52
O=C([O-])C1N(C(=O)CCCC[NH+]2CCOCC2)CC12CCCC2	REAL300003203614	1	51	0.0	-84.26	379.94	8.98	-75.28
CC[N@H+](CC1=CC=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C=C1)C(C)C	REAL300003203616	0	56	0.0	-95.14	396.42	11.93	-83.21
CC[N@@H+](CC1=CC=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C=C1)C(C)C	REAL300003203616	1	56	0.0	-93.45	394.92	11.73	-81.72
O=C([O-])C1N(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC12CCCC2	REAL300003203641	0	51	0.0	-76.15	385.40	11.77	-64.38
O=C([O-])C1N(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCCC2	REAL300003203641	1	51	0.0	-74.54	384.21	11.80	-62.74
O=C([O-])C1N(C(=O)C2CC[NH+](C3CCSC3)CC2)CC12CCCC2	REAL300003203642	0	52	0.0	-83.75	381.75	10.97	-72.78
C[NH+]1CCN(C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300003203671	1	56	0.0	-79.79	413.95	10.58	-69.21
O=C([O-])C1N(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC12CCCC2	REAL300003203672	0	55	0.0	-76.72	377.93	9.04	-67.68
CC(C(=O)N1CC2(CCCC2)C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003203675	0	50	0.0	-68.70	375.75	11.37	-57.33
CC(C(=O)N1CC2(CCCC2)C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003203675	1	50	0.0	-68.91	375.47	11.35	-57.56
O=C([O-])C1N(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC12CCCC2	REAL300003203686	0	57	0.0	-50.08	416.21	12.73	-37.35
O=C([O-])C1N(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC12CCCC2	REAL300003203686	1	57	0.0	-74.33	425.65	12.63	-61.70
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C=N1	REAL300003203715	0	46	0.0	-92.98	350.29	9.03	-83.95
CCC[NH+](CCC)CCCC(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003203726	0	55	0.0	-78.09	404.23	11.60	-66.49
O=C([O-])C1N(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CC12CCCC2	REAL300003203727	1	55	0.0	-65.68	409.71	9.24	-56.44
CC[N@H+](C)C(C(=O)N1CC2(CCCC2)C1C(=O)[O-])C1=CC=CC=C1	REAL300003203728	0	50	0.0	-62.54	373.69	11.50	-51.04
CC[N@@H+](C)C(C(=O)N1CC2(CCCC2)C1C(=O)[O-])C1=CC=CC=C1	REAL300003203728	1	50	0.0	-62.55	363.48	11.23	-51.32
CC[NH+](CC)C(C(=O)N1CC2(CCCC2)C1C(=O)[O-])C1=CC=CC=C1	REAL300003203733	0	53	0.0	-60.80	376.02	11.28	-49.52
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003203739	1	45	0.0	-66.11	346.99	10.13	-55.98
C[NH+](C)C(C(=O)N1CC2(CCCC2)C1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300003203741	1	47	0.0	-69.10	368.64	11.18	-57.92
O=C([O-])C1N(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC12CCCC2	REAL300003203755	0	51	0.0	-94.91	379.36	11.64	-83.27
O=C([O-])C1N(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC12CCCC2	REAL300003203762	0	54	0.0	-83.28	396.58	12.34	-70.94
CCN1CCC([NH+]2CCC(C(=O)N3CC4(CCCC4)C3C(=O)[O-])CC2)CC1	REAL300003203769	0	62	0.0	-84.97	432.71	10.06	-74.91
CC1C[NH+](CC2=CC=C(C(=O)N3CC4(CCCC4)C3C(=O)[O-])C=C2)CC(C)O1	REAL300003203776	1	58	0.0	-98.39	429.93	11.38	-87.01
O=C([O-])C1N(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC12CCCC2	REAL300003203787	1	55	0.0	-90.67	408.81	11.63	-79.04
O=C([O-])C1N(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC12CCCC2	REAL300003203787	1	55	0.0	-82.83	419.16	11.38	-71.45
O=C([O-])C1N(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC12CCCC2	REAL300003203802	0	54	0.0	-65.21	398.71	12.49	-52.72
O=C([O-])C1N(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC12CCCC2	REAL300003203802	1	54	0.0	-64.68	387.56	11.95	-52.73
CC1=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003203804	1	45	0.0	-88.18	351.80	8.95	-79.23
O=C([O-])C1N(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC12CCCC2	REAL300003203812	0	54	0.0	-95.15	396.11	12.35	-82.80
O=C([O-])C1N(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC12CCCC2	REAL300003203824	1	47	0.0	-80.06	365.85	8.90	-71.16
C[NH+](C)CCC1=CC=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C=C1	REAL300003203825	0	50	0.0	-98.25	377.04	11.33	-86.92
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003203836	1	43	0.0	-61.66	333.56	7.41	-54.25
O=C([O-])C1N(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC12CCCC2	REAL300003203837	1	52	0.0	-71.73	395.62	10.64	-61.09
O=C([O-])C1N(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC12CCCC2	REAL300003203837	1	52	0.0	-91.46	392.48	10.92	-80.54
CC(C(=O)N1CC2(CCCC2)C1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003203851	0	60	0.0	-68.46	439.60	13.88	-54.58
CC(C(=O)N1CC2(CCCC2)C1C(=O)[O-])[NH+]1CCSCC1	REAL300003203891	1	45	0.0	-67.21	334.82	9.01	-58.20
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003203898	0	50	0.0	-70.19	380.38	11.78	-58.41
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003203898	1	50	0.0	-70.29	380.38	11.78	-58.51
COCCOCC[N@H+](C)CCC(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003203899	0	54	0.0	-75.19	409.80	8.02	-67.17
COCCOCC[N@@H+](C)CCC(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003203899	1	54	0.0	-77.89	409.86	8.02	-69.87
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(CCCC3)C2C(=O)[O-])C1	REAL300003203903	0	48	0.0	-62.24	344.38	6.90	-55.34
C[N@H+]1CCCC(O)(CC(=O)N2CC3(CCCC3)C2C(=O)[O-])C1	REAL300003203903	1	48	0.0	-67.00	354.69	7.17	-59.83
O=C([O-])C1N(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC12CCCC2	REAL300003203913	0	59	0.0	-82.95	435.97	11.53	-71.42
O=C([O-])C1N(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC12CCCC2	REAL300003203914	1	53	0.0	-67.88	393.69	10.76	-57.12
O=C([O-])C1N(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC12CCCC2	REAL300003203914	1	53	0.0	-67.55	382.48	10.22	-57.33
CCCCCC[N@H+](C)CC(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003203917	0	52	0.0	-68.41	384.60	11.12	-57.29
CCCCCC[N@@H+](C)CC(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003203917	1	52	0.0	-69.09	384.97	11.09	-58.00
C[N@H+](CC(=O)N1CC2(CCCC2)C1C(=O)[O-])C1CCSC1	REAL300003203946	0	45	0.0	-63.98	343.37	9.02	-54.96
C[N@@H+](CC(=O)N1CC2(CCCC2)C1C(=O)[O-])C1CCSC1	REAL300003203946	1	45	0.0	-69.70	340.95	9.56	-60.14
CC(C)[NH+]1CCN(CCC(=O)N2CC3(CCCC3)C2C(=O)[O-])CC1	REAL300003203961	0	55	0.0	-80.08	396.23	8.63	-71.45
CC(C)N1CC[NH+](CCC(=O)N2CC3(CCCC3)C2C(=O)[O-])CC1	REAL300003203961	1	55	0.0	-74.83	393.86	8.41	-66.42
CC(C)[NH+]1CCN(CCCC(=O)N2CC3(CCCC3)C2C(=O)[O-])CC1	REAL300003203962	0	58	0.0	-79.34	418.53	9.37	-69.97
CC(C)N1CC[NH+](CCCC(=O)N2CC3(CCCC3)C2C(=O)[O-])CC1	REAL300003203962	1	58	0.0	-78.80	415.03	9.17	-69.63
O=C([O-])C1N(C(=O)C2CCCC3CCC[N@@H+]32)CC12CCCC2	REAL300003203963	0	48	0.0	-66.46	334.60	9.47	-56.99
O=C([O-])C1N(C(=O)C2CCCC3CCC[N@H+]32)CC12CCCC2	REAL300003203963	1	48	0.0	-62.81	340.69	9.96	-52.85
C[NH+](C)CCN1C=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C=N1	REAL300003203965	0	47	0.0	-88.65	360.35	8.65	-80.00
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC4(CCCC4)C3C(=O)[O-])CC2)=C1	REAL300003203972	0	59	0.0	-78.54	435.89	11.40	-67.14
O=C([O-])C1N(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC12CCCC2	REAL300003203974	0	56	0.0	-78.63	414.47	10.74	-67.89
O=C([O-])C1N(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC12CCCC2	REAL300003203977	0	53	0.0	-71.55	395.85	9.99	-61.56
O=C([O-])C1N(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC12CCCC2	REAL300003203977	1	53	0.0	-70.95	395.14	9.82	-61.13
CC(C(=O)N1CC2(CCCC2)C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003203982	1	51	0.0	-61.47	381.60	11.14	-50.33
CC(C(=O)N1CC2(CCCC2)C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003203982	1	51	0.0	-62.55	376.36	11.08	-51.47
O=C([O-])C1N(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC12CCCC2	REAL300003204010	0	54	0.0	-76.33	410.02	12.02	-64.31
O=C([O-])C1N(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCCC2	REAL300003204010	1	54	0.0	-76.49	406.88	11.88	-64.61
C[NH+](C)CCN1C=CC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])=N1	REAL300003204025	0	47	0.0	-101.12	363.95	9.03	-92.09
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003204026	0	47	0.0	-64.96	356.68	8.53	-56.43
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003204032	1	48	0.0	-70.47	366.55	10.55	-59.92
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])=NN1	REAL300003204036	1	48	0.0	-83.58	368.51	7.93	-75.65
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])=NN1	REAL300003204036	1	48	0.0	-80.88	368.59	7.86	-73.02
O=C([O-])C1N(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC12CCCC2	REAL300003204048	0	54	0.0	-71.76	407.33	11.82	-59.94
O=C([O-])C1N(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC12CCCC2	REAL300003204048	1	54	0.0	-70.73	406.67	11.74	-58.99
O=C([O-])C1N(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC12CCCC2	REAL300003204049	1	50	0.0	-62.57	380.28	10.39	-52.18
O=C([O-])C1N(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC12CCCC2	REAL300003204049	1	50	0.0	-74.86	375.18	10.05	-64.81
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003204053	0	48	0.0	-69.93	353.26	7.28	-62.65
O=C([O-])C1N(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC12CCCC2	REAL300003204054	0	55	0.0	-78.91	412.23	10.15	-68.76
O=C([O-])C1N(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC12CCCC2	REAL300003204108	0	54	0.0	-67.28	387.76	10.54	-56.74
O=C([O-])C1N(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC12CCCC2	REAL300003204108	1	54	0.0	-70.43	385.97	10.53	-59.90
O=C([O-])C1N(C(=O)C23CCC[NH+](CCC2)C3)CC12CCCC2	REAL300003204127	0	48	0.0	-78.70	331.11	9.22	-69.48
O=C([O-])C1N(C(=O)C2CCC3CCCC[N@@H+]32)CC12CCCC2	REAL300003204131	0	48	0.0	-65.89	346.63	10.22	-55.67
O=C([O-])C1N(C(=O)C2CCC3CCCC[N@H+]32)CC12CCCC2	REAL300003204131	1	48	0.0	-60.10	350.99	9.61	-50.49
O=C([O-])C1N(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)CC12CCCC2	REAL300003204133	0	59	0.0	-77.26	436.02	10.81	-66.45
O=C([O-])C1N(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)CC12CCCC2	REAL300003204133	1	59	0.0	-70.78	431.64	11.53	-59.25
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003204140	0	51	0.0	-74.26	353.64	8.03	-66.23
CC(C)[N@@H+]1CCC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003204145	0	60	0.0	-82.64	438.07	10.56	-72.08
CC(C)[N@H+]1CCC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003204145	1	60	0.0	-74.76	421.96	9.77	-64.99
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC3(CCCC3)C2C(=O)[O-])C=N1	REAL300003204146	0	54	0.0	-82.72	388.13	9.22	-73.50
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC3(CCCC3)C2C(=O)[O-])C=N1	REAL300003204146	1	54	0.0	-91.66	402.25	9.97	-81.69
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC4(CCCC4)C3C(=O)[O-])=C2)CC1	REAL300003204151	0	56	0.0	-82.13	413.69	9.91	-72.22
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC4(CCCC4)C3C(=O)[O-])C=C2)CC1	REAL300003204152	0	56	0.0	-91.40	413.16	9.92	-81.48
CN1CC[NH+](CC2=CC=C(C(=O)N3CC4(CCCC4)C3C(=O)[O-])C=C2)CC1	REAL300003204152	1	56	0.0	-97.06	413.09	9.80	-87.26
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C=C1	REAL300003204153	0	57	0.0	-92.35	419.90	11.61	-80.74
CC(C)[NH+]1CCC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])CC1	REAL300003204159	0	50	0.0	-80.90	351.93	9.84	-71.06
O=C([O-])C1N(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CC12CCCC2	REAL300003204273	0	58	0.0	-97.33	427.79	9.66	-87.67
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])=C1	REAL300003204277	0	47	0.0	-84.55	355.01	10.48	-74.07
O=C([O-])C1N(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC12CCCC2	REAL300003204278	0	54	0.0	-73.57	400.99	12.39	-61.18
O=C([O-])C1N(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC12CCCC2	REAL300003204278	1	54	0.0	-68.16	400.24	11.67	-56.49
C#CC[NH+]1CCC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])CC1	REAL300003204344	0	46	0.0	-84.01	351.71	10.19	-73.82
CCC[N@@H+]1CCCCC1C(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003204346	0	50	0.0	-62.40	364.47	9.67	-52.73
CCC[N@H+]1CCCCC1C(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003204346	1	50	0.0	-64.41	361.29	10.33	-54.08
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003204348	0	47	0.0	-64.62	356.00	9.86	-54.76
CC[NH+]1CCN(CCC(=O)N2CC3(CCCC3)C2C(=O)[O-])CC1	REAL300003204350	0	52	0.0	-81.85	379.49	8.12	-73.73
CCN1CC[NH+](CCC(=O)N2CC3(CCCC3)C2C(=O)[O-])CC1	REAL300003204350	1	52	0.0	-74.93	380.29	8.05	-66.88
CC(C)C(C(=O)N1CC2(CCCC2)C1C(=O)[O-])[NH+]1CCCCC1	REAL300003204352	0	53	0.0	-68.43	364.28	11.00	-57.43
C[NH+](C)C(C(=O)N1CC2(CCCC2)C1C(=O)[O-])C1=CC=CC=C1	REAL300003204353	1	47	0.0	-66.78	351.91	10.66	-56.12
O=C([O-])C1N(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC12CCCC2	REAL300003204357	0	52	0.0	-69.02	398.43	8.07	-60.95
O=C([O-])C1N(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCCC2	REAL300003204357	1	52	0.0	-68.41	398.81	8.02	-60.39
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003204363	1	48	0.0	-70.17	367.09	10.54	-59.63
C[NH+](C)CC1=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])OC2=CC=CC=C21	REAL300003204364	0	50	0.0	-56.49	380.96	10.57	-45.92
O=C([O-])C1N(C(=O)C2CCC[N@@H+]2C2CCCC2)CC12CCCC2	REAL300003204369	0	51	0.0	-65.34	346.06	10.50	-54.84
O=C([O-])C1N(C(=O)C2CCC[N@H+]2C2CCCC2)CC12CCCC2	REAL300003204369	1	51	0.0	-68.87	367.59	10.73	-58.14
CC(C)C(C(=O)N1CC2(CCCC2)C1C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300003204398	1	57	0.0	-60.01	402.89	9.20	-50.81
CC(C(=O)N1CC2(CCCC2)C1C(=O)[O-])[NH+]1CCCCCC1	REAL300003204399	0	50	0.0	-63.55	350.26	9.80	-53.75
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4(CCCC4)C3C(=O)[O-])=CC=C1N2	REAL300003204435	1	52	0.0	-91.16	391.95	10.22	-80.94
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4(CCCC4)C3C(=O)[O-])=CC=C1N2	REAL300003204435	1	52	0.0	-105.01	389.31	10.86	-94.15
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])O1	REAL300003204493	0	50	0.0	-79.73	382.60	9.92	-69.81
O=C([O-])C1N(C(=O)CCCC[NH+]2CCCC2)CC12CCCC2	REAL300003204494	0	50	0.0	-81.42	373.00	10.70	-70.72
CC1=CC=C(N2CCC(C(=O)N3CC4(CCCC4)C3C(=O)[O-])CC2)[NH+]=C1	REAL300003204496	1	53	0.0	-82.71	393.05	10.24	-72.47
C[N@H+](CC(=O)N1CC2(CCCC2)C1C(=O)[O-])CC1=CC=CC=C1	REAL300003204497	1	47	0.0	-71.89	357.88	10.93	-60.96
C[N@@H+](CC(=O)N1CC2(CCCC2)C1C(=O)[O-])CC1=CC=CC=C1	REAL300003204497	1	47	0.0	-71.16	357.58	10.95	-60.21
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC4(CCCC4)C3C(=O)[O-])C=C2)CC1	REAL300003204501	0	59	0.0	-93.89	422.57	10.86	-83.03
O=C([O-])C1N(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC12CCCC2	REAL300003204515	1	42	0.0	-87.66	335.79	8.56	-79.10
C[NH+](C)CC1=CC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])=NO1	REAL300003204544	1	43	0.0	-87.48	338.74	8.50	-78.98
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003204550	0	54	0.0	-69.91	402.57	11.78	-58.13
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003204550	1	54	0.0	-86.67	405.19	12.48	-74.19
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC3(CCCC3)C2C(=O)[O-])C=C1	REAL300003204574	0	55	0.0	-95.26	423.89	11.86	-83.40
C[NH+]1CCC(OCC(=O)N2CC3(CCCC3)C2C(=O)[O-])CC1	REAL300003204591	0	48	0.0	-89.63	361.63	9.19	-80.44
O=C([O-])C1N(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC12CCCC2	REAL300003204597	0	51	0.0	-78.84	387.09	10.33	-68.51
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC3(CCCC3)C2C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003204638	0	53	0.0	-64.28	398.18	9.94	-54.34
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC3(CCCC3)C2C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003204638	1	53	0.0	-75.89	391.43	10.55	-65.34
CCC[N@@H+]1CCCC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C1	REAL300003204782	0	50	0.0	-79.04	355.00	10.16	-68.88
CCC[N@H+]1CCCC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C1	REAL300003204782	1	50	0.0	-57.97	358.86	9.57	-48.40
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003204814	0	50	0.0	-67.47	365.04	10.53	-56.94
CC(C)C[N@H+]1CCCC1C(=O)N1CC2(CCCC2)C1C(=O)[O-]	REAL300003204814	1	50	0.0	-67.42	354.53	9.56	-57.86
O=C([O-])C1N(C(=O)C[NH+]2CCC(CO)CC2)CC12CCCC2	REAL300003204817	1	48	0.0	-68.44	355.10	6.48	-61.96
O=C([O-])C1N(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC12CCCC2	REAL300003204911	0	55	0.0	-87.53	407.70	12.80	-74.73
O=C([O-])C1N(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC12CCCC2	REAL300003204911	1	55	0.0	-87.53	409.50	12.73	-74.80
O=C([O-])C1N(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC12CCCC2	REAL300003204949	1	54	0.0	-64.04	394.60	12.04	-52.00
O=C([O-])C1N(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC12CCCC2	REAL300003204949	1	54	0.0	-62.58	397.66	11.59	-50.99
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C1	REAL300003205038	0	50	0.0	-67.34	358.07	9.29	-58.05
CC(C)[N@H+]1CCCC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C1	REAL300003205038	1	50	0.0	-74.19	354.95	10.00	-64.19
C[N@@H+]1CC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C(C(F)(F)F)C1	REAL300003205039	0	44	0.0	-88.84	344.87	9.05	-79.79
C[N@H+]1CC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C(C(F)(F)F)C1	REAL300003205039	1	44	0.0	-76.05	332.15	8.05	-68.00
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(CCCC3)C2C(=O)[O-])N1	REAL300003205065	1	45	0.0	-63.52	354.53	8.07	-55.45
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])=C1	REAL300003205539	0	50	0.0	-87.37	377.06	11.33	-76.04
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C=C1	REAL300003205545	0	51	0.0	-93.98	384.78	10.27	-83.71
O=C([O-])C1N(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC12CCCC2	REAL300003205635	0	57	0.0	-79.88	421.35	13.27	-66.61
CC1C[N@H+](CC2=CC=C(C(=O)N3CC4(CCCC4)C3C(=O)[O-])C=C2)CCO1	REAL300003205637	1	55	0.0	-89.50	411.31	10.01	-79.49
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC4(CCCC4)C3C(=O)[O-])C=C2)CCO1	REAL300003205637	1	55	0.0	-86.94	412.48	10.03	-76.91
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(CCCC3)C2C(=O)[O-])CC1	REAL300003205680	0	50	0.0	-75.40	351.22	9.80	-65.60
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C1	REAL300003205746	0	53	0.0	-59.48	376.91	10.47	-49.01
CC(C)C[N@H+]1CCCC(C(=O)N2CC3(CCCC3)C2C(=O)[O-])C1	REAL300003205746	1	53	0.0	-59.48	376.91	10.47	-49.01
CN(C)CC1=CC=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])O1	REAL300003205751	0	44	0.0	-80.30	346.55	8.56	-71.74
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCCC3)C2C(=O)[O-])O1	REAL300003205751	1	44	0.0	-80.30	346.55	8.56	-71.74
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC3(CCCC3)C2C(=O)[O-])C1	REAL300003205756	0	53	0.0	-94.96	367.05	10.06	-84.90
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC3(CCCC3)C2C(=O)[O-])C1	REAL300003205756	1	53	0.0	-94.96	367.05	10.06	-84.90
O=C([O-])C1N(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC12CCCC2	REAL300003205759	0	46	0.0	-68.03	347.16	9.15	-58.88
CC1C2=CC=CC=C2CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003205793	0	44	0.0	-44.28	329.75	9.17	-35.11
CC1C2=CC=CC=C2CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003205793	1	44	0.0	-44.28	329.75	9.17	-35.11
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3CC2(C2=CC=CC=C2)C3)C1	REAL300003205880	0	48	0.0	-46.75	365.53	10.74	-36.01
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3CC2(C2=CC=CC=C2)C3)C1	REAL300003205880	1	48	0.0	-46.75	365.53	10.74	-36.01
COCC1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCCC1	REAL300003205948	0	50	0.0	-45.99	361.22	7.23	-38.76
CC1(C)CC1(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003206040	0	50	0.0	-48.46	371.50	9.84	-38.62
CC1(C)CC1(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003206040	1	50	0.0	-48.30	373.01	9.77	-38.53
CCCCC(CC)CCCN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003206210	0	60	0.0	-45.66	432.33	12.04	-33.62
CCCCC(CC)CCCN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003206210	1	60	0.0	-46.08	430.23	12.29	-33.79
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC(C)(C(F)F)O1	REAL300003206334	0	47	0.0	-51.36	354.99	7.40	-43.96
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC(C)(C(F)F)O1	REAL300003206334	1	47	0.0	-45.69	346.47	6.91	-38.78
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCCCC2=C1	REAL300003206460	0	51	0.0	-49.56	387.26	8.89	-40.67
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C2OCCCC2=C1	REAL300003206460	1	51	0.0	-50.37	388.43	8.91	-41.46
CC1(C(F)F)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300003206697	0	44	0.0	-52.13	333.97	6.85	-45.28
CC1(C(F)F)CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300003206697	1	44	0.0	-51.07	333.46	6.84	-44.23
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CN=CC=C2C(F)(F)F)C1	REAL300003206817	0	42	0.0	-49.31	343.09	7.04	-42.27
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CN=CC=C2C(F)(F)F)C1	REAL300003206817	1	42	0.0	-48.82	336.37	7.00	-41.82
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1	REAL300003206903	0	50	0.0	-45.85	332.70	9.75	-36.10
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1	REAL300003206903	1	50	0.0	-47.20	341.52	9.67	-37.53
CC1(C)CC1(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003207031	0	53	0.0	-46.34	392.40	10.21	-36.13
CC1(C)CC1(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003207031	1	53	0.0	-46.64	402.77	10.39	-36.25
CCC(CC)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300003207162	0	55	0.0	-50.79	398.45	10.29	-40.50
CCC(CC)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300003207162	1	55	0.0	-47.96	396.54	9.84	-38.12
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC(F)(F)F	REAL300003207281	0	45	0.0	-49.34	341.71	7.50	-41.84
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC(F)(F)F	REAL300003207281	1	45	0.0	-46.99	334.99	7.06	-39.93
COC1=CC=CC(CN(CC(C)C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003207392	0	56	0.0	-45.19	418.00	10.92	-34.27
COC1=CC=CC(CN(CC(C)C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003207392	1	56	0.0	-50.22	413.53	11.01	-39.21
CC1=CC=CC(CN(CC(C)C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003207499	0	55	0.0	-45.67	410.87	12.36	-33.31
CC1=CC=CC(CN(CC(C)C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003207499	1	55	0.0	-45.72	402.45	12.30	-33.42
CC(C)CN(CC1=CC=CC=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003207606	0	52	0.0	-42.94	386.96	11.19	-31.75
CC(C)CN(CC1=CC=CC=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003207606	1	52	0.0	-43.58	384.52	11.56	-32.02
CCC1=CC=C(CN(CC(C)C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003207716	0	58	0.0	-42.29	419.84	12.51	-29.78
CCC1=CC=C(CN(CC(C)C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003207716	1	58	0.0	-46.62	426.96	13.16	-33.46
CC1=CC=C(CN(CC(C)C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300003207875	0	58	0.0	-46.83	425.56	13.51	-33.32
CC1=CC=C(CN(CC(C)C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300003207875	1	58	0.0	-46.93	420.53	13.49	-33.44
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2Cl)CC2CC2)C1	REAL300003207995	0	50	0.0	-41.62	380.12	11.77	-29.85
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2Cl)CC2CC2)C1	REAL300003207995	1	50	0.0	-45.44	392.05	12.63	-32.81
COC1=CC=C(CN(CC2CC2)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300003208118	0	58	0.0	-45.54	432.22	11.39	-34.15
COC1=CC=C(CN(CC2CC2)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300003208118	1	58	0.0	-45.93	433.28	11.69	-34.24
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CC=C2C(F)(F)F)CC2CC2)C1	REAL300003208221	0	53	0.0	-47.89	409.54	13.39	-34.50
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CC=C2C(F)(F)F)CC2CC2)C1	REAL300003208221	1	53	0.0	-43.54	401.12	12.10	-31.44
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=C(F)C=C2Cl)CC2CC2)C1	REAL300003208329	0	50	0.0	-43.51	394.03	12.26	-31.25
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=C(F)C=C2Cl)CC2CC2)C1	REAL300003208329	1	50	0.0	-44.49	394.01	11.83	-32.66
CC1=CC=CC(C)=C1CN(CC(C)C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003208512	0	58	0.0	-45.51	408.21	12.52	-32.99
CC1=CC=CC(C)=C1CN(CC(C)C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003208512	1	58	0.0	-45.23	400.67	12.43	-32.80
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C3=CC=CC=C3O)CC2)C1	REAL300003208630	0	50	0.0	-49.72	378.30	5.93	-43.79
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C3=CC=CC=C3O)CC2)C1	REAL300003208630	1	50	0.0	-46.07	370.79	5.46	-40.61
CC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(C)=C1	REAL300003208736	0	46	0.0	-47.08	358.88	8.72	-38.36
CC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(C)=C1	REAL300003208736	1	46	0.0	-47.71	359.52	8.75	-38.96
CCSC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003208792	0	44	0.0	-46.53	351.92	7.88	-38.65
CCSC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003208792	1	44	0.0	-44.49	345.20	7.43	-37.06
CC1(C)C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1(F)F	REAL300003208848	0	43	0.0	-49.71	336.70	7.13	-42.58
CC1(C)C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1(F)F	REAL300003208848	1	43	0.0	-50.34	337.37	7.15	-43.19
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC2CC2=CC=CC=C2)C1	REAL300003208943	0	51	0.0	-50.10	377.09	9.28	-40.82
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC2CC2=CC=CC=C2)C1	REAL300003208943	1	51	0.0	-49.06	372.19	9.26	-39.80
CC1COC2(CCCC2)CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003209044	0	51	0.0	-47.22	360.59	8.25	-38.97
CC1COC2(CCCC2)CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003209044	1	51	0.0	-43.82	353.94	7.76	-36.06
COC1=CC=C2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300003209143	0	48	0.0	-51.60	357.07	9.25	-42.35
COC1=CC=C2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300003209143	1	48	0.0	-52.48	357.50	9.15	-43.33
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3CC3)(C3CC3)C2)C1	REAL300003209257	0	52	0.0	-48.04	374.29	9.30	-38.74
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3CC3)(C3CC3)C2)C1	REAL300003209257	1	52	0.0	-47.57	374.94	9.11	-38.46
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCC(F)CC1	REAL300003209348	0	49	0.0	-49.26	360.35	8.62	-40.64
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCC(F)CC1	REAL300003209348	1	49	0.0	-48.63	351.10	8.42	-40.21
COC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300003209445	0	47	0.0	-47.91	355.98	7.28	-40.63
COC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300003209445	1	47	0.0	-49.27	362.01	7.58	-41.69
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1=CC=CC(COCC2CCCO2)=C1	REAL300003209559	0	58	0.0	-51.93	450.70	8.56	-43.37
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1=CC=CC(COCC2CCCO2)=C1	REAL300003209559	1	58	0.0	-50.45	444.49	8.54	-41.91
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(CC(F)(F)F)C2)C1	REAL300003209674	0	44	0.0	-48.07	337.07	6.71	-41.36
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(CC(F)(F)F)C2)C1	REAL300003209674	1	44	0.0	-50.97	343.72	7.15	-43.82
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC(CC(F)(F)F)O1	REAL300003209799	0	47	0.0	-51.14	360.28	8.08	-43.06
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC(CC(F)(F)F)O1	REAL300003209799	1	47	0.0	-51.93	361.41	8.09	-43.84
CN1C=CC=C1C(=O)N1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003209931	0	52	0.0	-55.26	391.18	8.62	-46.64
CN1C=CC=C1C(=O)N1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003209931	1	52	0.0	-51.57	380.13	8.13	-43.44
CC1=NN=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300003210024	1	41	0.0	-48.04	329.82	6.32	-41.72
CC1=NN=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300003210024	1	41	0.0	-49.55	329.89	6.32	-43.23
O=C([O-])[C@H]1C[C@H](NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300003211193	0	47	0.0	-75.51	363.94	9.33	-66.18
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300003211872	0	44	0.0	-63.08	340.45	8.20	-54.88
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300003211872	1	44	0.0	-63.27	340.26	8.21	-55.06
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300003212450	1	44	0.0	-67.45	356.95	8.74	-58.71
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300003212450	1	44	0.0	-68.22	363.30	9.28	-58.94
O=C([O-])[C@H]1C[C@H](NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300003212504	0	47	0.0	-66.58	365.86	9.23	-57.35
CC1=NC(C[NH+]2CCC(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)=CS1	REAL300003212545	1	46	0.0	-74.18	370.87	7.02	-67.16
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300003212584	0	50	0.0	-74.28	396.52	8.84	-65.44
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300003212592	0	50	0.0	-76.96	397.53	11.17	-65.79
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300003212592	1	50	0.0	-76.74	397.15	11.19	-65.55
CC1(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003212593	0	50	0.0	-67.45	376.57	9.74	-57.71
O=C([O-])[C@H]1C[C@H](NC(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003212626	0	47	0.0	-67.94	378.80	9.61	-58.33
O=C([O-])[C@H]1C[C@H](NC(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003212626	1	47	0.0	-69.77	379.07	9.63	-60.14
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300003212657	1	47	0.0	-68.36	367.89	9.31	-59.05
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300003212657	1	47	0.0	-66.88	367.82	9.30	-57.58
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300003212658	1	44	0.0	-68.41	346.52	8.28	-60.13
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300003212658	1	44	0.0	-69.16	352.90	8.82	-60.34
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300003212695	0	40	0.0	-73.80	331.68	6.73	-67.07
C[NH+](C)CCN1N=CC(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300003212700	0	50	0.0	-76.63	400.07	8.92	-67.71
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300003212723	0	48	0.0	-66.89	347.95	6.21	-60.68
CC[N@H+](CC1=CC=C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1)C(C)C	REAL300003212738	0	49	0.0	-75.32	361.75	9.05	-66.27
CC[N@@H+](CC1=CC=C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1)C(C)C	REAL300003212738	1	49	0.0	-75.55	361.07	8.95	-66.60
O=C([O-])[C@H]1C[C@H](NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003212757	0	44	0.0	-70.52	347.72	8.54	-61.98
O=C([O-])[C@H]1C[C@H](NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003212757	1	44	0.0	-69.84	348.43	8.59	-61.25
O=C([O-])[C@H]1C[C@H](NC(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300003212758	0	45	0.0	-76.61	342.57	7.69	-68.92
C[NH+]1CCN(C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300003212776	1	49	0.0	-67.73	375.80	7.40	-60.33
O=C([O-])[C@H]1C[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300003212777	0	48	0.0	-70.05	340.12	5.98	-64.07
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300003212784	0	50	0.0	-72.78	386.42	10.15	-62.63
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300003212784	1	50	0.0	-65.53	379.77	10.36	-55.17
O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300003212821	1	48	0.0	-65.91	371.13	6.02	-59.89
CC[NH+](CC)C(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300003212826	0	46	0.0	-64.32	344.14	8.36	-55.96
C[NH+](C)C(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300003212827	1	40	0.0	-68.76	333.81	8.11	-60.65
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300003212839	0	44	0.0	-76.17	345.34	8.74	-67.43
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300003212844	0	47	0.0	-72.12	362.13	9.44	-62.68
CCN1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)CC1	REAL300003212849	0	55	0.0	-72.38	393.66	6.81	-65.57
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300003212851	0	57	0.0	-77.64	446.70	12.79	-64.85
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300003212851	1	57	0.0	-79.18	444.91	12.55	-66.63
CC1C[NH+](CC2=CC=C(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC(C)O1	REAL300003212855	1	51	0.0	-79.21	395.77	8.47	-70.74
O=C([O-])[C@H]1C[C@H](NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003212865	1	48	0.0	-76.02	366.40	8.10	-67.92
O=C([O-])[C@H]1C[C@H](NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003212865	1	48	0.0	-76.80	366.31	8.10	-68.70
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300003212879	0	47	0.0	-63.06	361.10	9.25	-53.81
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300003212879	1	47	0.0	-64.37	361.11	9.24	-55.13
CC1=C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300003212880	1	38	0.0	-77.75	316.91	5.94	-71.81
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300003212887	0	47	0.0	-76.64	362.43	9.44	-67.20
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300003212897	0	57	0.0	-73.88	437.76	12.19	-61.69
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300003212897	1	57	0.0	-73.22	437.36	12.33	-60.89
O=C([O-])[C@H]1C[C@H](NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003212902	1	45	0.0	-70.27	349.79	7.96	-62.31
O=C([O-])[C@H]1C[C@H](NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003212902	1	45	0.0	-73.07	349.80	7.95	-65.12
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300003212906	0	54	0.0	-65.39	406.59	10.92	-54.47
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300003212906	1	54	0.0	-64.51	403.12	10.93	-53.58
CC(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003212914	0	53	0.0	-65.49	400.61	10.57	-54.92
COCCOCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300003212934	0	47	0.0	-70.31	370.91	4.70	-65.61
COCCOCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300003212934	1	47	0.0	-71.33	370.60	4.73	-66.60
O=C([O-])[C@H]1C[C@H](NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300003212942	0	52	0.0	-75.54	396.68	8.24	-67.30
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300003212943	1	46	0.0	-67.39	356.07	7.52	-59.87
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300003212943	1	46	0.0	-68.49	346.60	7.35	-61.14
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300003212944	1	46	0.0	-67.48	346.61	7.33	-60.15
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300003212944	1	46	0.0	-67.33	346.86	7.32	-60.01
CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300003212962	0	51	0.0	-67.83	374.46	5.70	-62.13
CC(C)N1CC[NH+](CCCC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300003212962	1	51	0.0	-70.92	376.48	5.91	-65.01
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)=C1	REAL300003212966	0	52	0.0	-74.43	396.99	8.10	-66.33
O=C([O-])[C@H]1C[C@H](NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300003212967	0	49	0.0	-74.41	375.53	7.43	-66.98
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300003212969	0	46	0.0	-73.25	358.43	7.53	-65.72
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300003212969	1	46	0.0	-71.69	352.53	7.72	-63.97
CC(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003212972	1	44	0.0	-67.06	337.77	8.66	-58.40
CC(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003212972	1	44	0.0	-67.25	337.42	8.66	-58.59
CCC(CC)C(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[NH+]1CCOCC1	REAL300003212981	1	50	0.0	-61.74	353.38	6.91	-54.83
O=C([O-])[C@H]1C[C@H](NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003212994	0	47	0.0	-74.13	365.24	9.26	-64.87
O=C([O-])[C@H]1C[C@H](NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003212994	1	47	0.0	-74.62	367.81	9.30	-65.32
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300003213007	0	47	0.0	-73.22	369.95	9.35	-63.87
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300003213007	1	47	0.0	-71.99	363.69	9.56	-62.43
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300003213008	1	43	0.0	-62.89	337.29	6.62	-56.27
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300003213008	1	43	0.0	-63.09	336.25	6.39	-56.70
O=C([O-])[C@H]1C[C@H](NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300003213010	0	48	0.0	-74.33	372.92	6.85	-67.48
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300003213028	1	47	0.0	-79.31	358.69	7.49	-71.82
O=C([O-])[C@H]1C[C@H](NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300003213041	0	52	0.0	-75.34	395.96	8.19	-67.15
O=C([O-])[C@H]1C[C@H](NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300003213041	1	52	0.0	-72.92	394.53	8.66	-64.26
CC(C)[N@@H+]1CCC(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003213043	0	53	0.0	-72.15	381.85	7.16	-64.99
CC(C)[N@H+]1CCC(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003213043	1	53	0.0	-73.37	389.51	7.70	-65.67
CN1C=C(C2C[N@H+](C)CCC2C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=N1	REAL300003213044	0	47	0.0	-80.78	358.82	6.47	-74.31
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=N1	REAL300003213044	1	47	0.0	-77.84	366.86	6.91	-70.93
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=C2)CC1	REAL300003213047	0	49	0.0	-74.65	379.17	7.01	-67.64
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300003213048	0	49	0.0	-74.23	379.14	7.02	-67.21
CN1CC[NH+](CC2=CC=C(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300003213048	1	49	0.0	-77.41	378.70	6.90	-70.51
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003213083	0	47	0.0	-68.83	363.82	9.29	-59.54
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003213083	1	47	0.0	-69.06	363.83	9.29	-59.77
O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003213124	0	45	0.0	-67.73	355.91	5.54	-62.19
O=C(N[C@H]1C[C@H](C(=O)[O-])C1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003213124	1	45	0.0	-68.08	355.70	5.52	-62.56
C[NH+](C)CC1=C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)OC2=CC=CC=C21	REAL300003213127	0	43	0.0	-64.10	347.71	7.95	-56.15
CC[NH+](CC)C(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003213129	0	49	0.0	-66.67	378.75	9.52	-57.15
O=C([O-])[C@H]1C[C@H](NC(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300003213150	1	45	0.0	-63.94	358.11	9.14	-54.80
CC(C)C(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300003213151	1	50	0.0	-63.09	355.36	6.52	-56.57
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C1N2	REAL300003213168	1	45	0.0	-77.87	355.53	8.01	-69.86
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)=CC=C1N2	REAL300003213168	1	45	0.0	-78.00	355.57	8.00	-70.00
CC1=CC=C(N2CCC(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)CC2)[NH+]=C1	REAL300003213208	1	46	0.0	-68.08	356.24	7.01	-61.07
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300003213211	0	52	0.0	-75.49	388.91	7.95	-67.54
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300003213238	0	47	0.0	-74.80	367.51	9.08	-65.72
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	REAL300003213238	1	47	0.0	-75.11	367.14	9.18	-65.93
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300003213251	0	48	0.0	-76.65	385.23	8.56	-68.09
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300003213263	0	44	0.0	-72.74	347.47	7.69	-65.05
CC(C)(C)[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003213280	0	46	0.0	-71.91	356.42	7.27	-64.64
CC(C)(C)[N@H+]1C[C@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003213280	1	46	0.0	-65.33	355.84	7.38	-57.95
O=C([O-])[C@H]1C[C@H](NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300003213417	0	48	0.0	-69.99	371.79	9.60	-60.39
O=C([O-])[C@H]1C[C@H](NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300003213417	1	48	0.0	-71.27	372.54	9.56	-61.71
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300003213440	1	47	0.0	-64.25	367.41	9.32	-54.93
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300003213440	1	47	0.0	-70.13	358.41	9.16	-60.97
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300003213747	0	44	0.0	-75.97	350.34	7.39	-68.58
O=C([O-])[C@H]1C[C@H](NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300003213791	0	50	0.0	-72.33	382.14	10.03	-62.30
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CCO1	REAL300003213793	1	48	0.0	-79.32	374.98	7.79	-71.53
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)C=C2)CCO1	REAL300003213793	1	48	0.0	-78.93	368.03	7.76	-71.17
CC(C)(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@@H](C2=CC=C(F)C=C2F)C1	REAL300003213827	0	56	0.0	-77.70	418.69	10.54	-67.16
CC(C)(C)[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@@H](C2=CC=C(F)C=C2F)C1	REAL300003213827	1	56	0.0	-77.70	418.69	10.54	-67.16
C[C@@H]1C2=CC=CC=C2CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003213990	0	44	0.0	-48.26	338.38	9.67	-38.59
C[C@@H]1C2=CC=CC=C2CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003213990	1	44	0.0	-48.26	338.38	9.67	-38.59
CC(C1CC2=CC=CC=C21)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003214080	0	50	0.0	-46.34	371.83	10.92	-35.42
CC(C1CC2=CC=CC=C21)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003214080	1	50	0.0	-45.32	367.32	10.66	-34.66
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003215203	0	54	0.0	-67.06	398.14	11.31	-55.75
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300003216540	0	48	0.0	-64.11	350.96	9.14	-54.97
CC1=[NH+]C=C2CCC(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])CN21	REAL300003216561	1	46	0.0	-55.44	344.58	8.96	-46.48
CC1=NC(C[NH+]2CCC(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])CC2)=CS1	REAL300003216624	1	53	0.0	-65.49	404.73	9.20	-56.29
CC(C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-])N1CC[NH+](C)CC1	REAL300003216625	1	49	0.0	-60.53	347.44	6.03	-54.50
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=C1	REAL300003216695	0	57	0.0	-77.72	430.61	10.93	-66.79
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=C1	REAL300003216700	0	57	0.0	-74.19	431.08	13.29	-60.90
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=C1	REAL300003216700	1	57	0.0	-74.92	431.10	13.29	-61.63
C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])CCCCC1	REAL300003216773	0	53	0.0	-62.52	355.97	9.81	-52.71
C[N@H+](CCC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-])C1CCCCC1	REAL300003216776	0	53	0.0	-55.28	375.52	9.65	-45.63
C[N@@H+](CCC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-])C1CCCCC1	REAL300003216776	1	53	0.0	-56.66	374.95	9.77	-46.89
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003216838	0	47	0.0	-77.60	365.66	8.84	-68.76
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003216855	0	55	0.0	-72.86	383.91	8.23	-64.63
CC1=[NH+]C=CN1CCCC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003216882	1	45	0.0	-61.05	347.50	9.10	-51.95
O=C(CCCC[NH+]1CCOCC1)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003216883	1	51	0.0	-67.72	374.83	7.77	-59.95
CC[N@H+](CC1=CC=C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=C1)C(C)C	REAL300003216884	0	56	0.0	-74.47	403.50	11.26	-63.21
CC[N@@H+](CC1=CC=C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=C1)C(C)C	REAL300003216884	1	56	0.0	-75.84	395.23	10.86	-64.98
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003216902	0	51	0.0	-57.65	379.62	10.58	-47.07
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003216902	1	51	0.0	-58.01	380.98	10.71	-47.30
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003216903	0	52	0.0	-70.07	381.45	10.07	-60.00
O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003216932	0	55	0.0	-58.16	373.12	8.02	-50.14
CC(C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003216935	0	50	0.0	-52.45	371.83	10.06	-42.39
CC(C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003216935	1	50	0.0	-52.48	371.73	10.21	-42.27
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003216943	0	57	0.0	-49.35	413.13	12.32	-37.03
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003216943	1	57	0.0	-54.50	414.20	12.31	-42.19
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=N1	REAL300003216959	0	46	0.0	-74.90	350.29	8.22	-66.68
CCC[NH+](CCC)CCCC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003216966	0	55	0.0	-61.91	394.62	10.10	-51.81
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003216973	1	45	0.0	-48.96	342.02	8.94	-40.02
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003216986	0	51	0.0	-78.31	379.57	10.80	-67.51
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003216991	0	54	0.0	-68.64	396.11	11.49	-57.15
CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])CC2)CC1	REAL300003216997	0	62	0.0	-65.18	430.01	9.02	-56.16
CC1C[NH+](CC2=CC=C(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300003217004	1	58	0.0	-79.78	423.34	10.57	-69.21
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003217015	1	55	0.0	-70.45	400.30	10.19	-60.26
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003217015	1	55	0.0	-71.40	410.83	10.67	-60.73
CC1=C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003217030	1	45	0.0	-77.64	352.09	8.03	-69.61
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003217033	0	54	0.0	-78.30	396.31	11.51	-66.79
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003217044	1	47	0.0	-75.01	361.12	8.33	-66.68
C[NH+](C)CCC1=CC=C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=C1	REAL300003217045	0	50	0.0	-82.99	377.11	10.55	-72.44
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217050	1	43	0.0	-50.86	326.68	7.22	-43.64
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003217051	1	52	0.0	-70.34	390.68	10.20	-60.14
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003217051	1	52	0.0	-54.15	390.74	10.20	-43.95
CC(C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003217061	0	60	0.0	-45.83	429.12	12.56	-33.27
CC(C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-])[NH+]1CCSCC1	REAL300003217090	1	45	0.0	-45.72	332.15	7.96	-37.76
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217097	0	50	0.0	-50.10	375.60	10.59	-39.51
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217097	1	50	0.0	-50.51	375.82	10.67	-39.84
COCCOCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217098	0	54	0.0	-55.30	404.71	6.80	-48.50
COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217098	1	54	0.0	-59.90	404.72	6.80	-53.10
C[N@@H+]1CCCC(O)(CC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C1	REAL300003217101	0	48	0.0	-59.08	336.91	6.36	-52.72
C[N@H+]1CCCC(O)(CC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C1	REAL300003217101	1	48	0.0	-60.72	334.26	6.46	-54.26
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003217108	0	59	0.0	-64.81	430.82	10.32	-54.49
CCCCCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217110	0	52	0.0	-48.74	380.19	9.92	-38.82
CCCCCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217110	1	52	0.0	-48.50	380.40	9.99	-38.51
C[N@H+](CC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-])C1CCSC1	REAL300003217135	0	45	0.0	-55.20	336.91	8.36	-46.84
C[N@@H+](CC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-])C1CCSC1	REAL300003217135	1	45	0.0	-49.46	336.76	8.36	-41.10
CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])CC1	REAL300003217148	0	55	0.0	-66.89	391.79	7.37	-59.52
CC(C)N1CC[NH+](CCC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])CC1	REAL300003217148	1	55	0.0	-54.44	388.38	7.15	-47.29
CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])CC1	REAL300003217149	0	58	0.0	-65.06	413.44	8.12	-56.94
CC(C)N1CC[NH+](CCCC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])CC1	REAL300003217149	1	58	0.0	-61.19	409.73	7.95	-53.24
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300003217150	0	48	0.0	-47.85	333.70	8.61	-39.24
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CCCC2CCC[N@H+]21	REAL300003217150	1	48	0.0	-43.93	340.84	9.01	-34.92
C[NH+](C)CCN1C=C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=N1	REAL300003217152	0	47	0.0	-76.92	360.63	7.68	-69.24
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])CC2)=C1	REAL300003217155	0	59	0.0	-57.91	430.70	10.18	-47.73
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003217157	0	56	0.0	-57.94	409.33	9.52	-48.42
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003217159	0	53	0.0	-59.88	392.69	9.64	-50.24
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003217159	1	53	0.0	-60.39	392.50	9.57	-50.82
CC(C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003217164	1	51	0.0	-43.61	372.23	10.53	-33.08
CC(C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003217164	1	51	0.0	-49.39	371.61	10.76	-38.63
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217187	0	54	0.0	-65.26	401.23	11.41	-53.85
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217187	1	54	0.0	-65.58	402.31	11.33	-54.25
C[NH+](C)CCN1C=CC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=N1	REAL300003217200	0	47	0.0	-84.53	361.00	7.69	-76.84
C[NH+](C)CCN1N=CC=C1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217201	0	47	0.0	-53.64	356.60	7.59	-46.05
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217202	1	48	0.0	-54.60	362.43	9.43	-45.17
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003217215	0	54	0.0	-52.36	392.49	11.68	-40.68
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003217215	1	54	0.0	-61.63	403.98	11.40	-50.23
CC(C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217219	0	48	0.0	-57.52	348.20	6.85	-50.67
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003217220	0	55	0.0	-58.94	407.06	8.93	-50.01
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])CC1	REAL300003217262	1	54	0.0	-68.40	399.36	9.90	-58.50
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003217263	0	54	0.0	-51.05	378.98	10.03	-41.02
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003217263	1	54	0.0	-58.09	381.68	10.04	-48.05
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300003217279	0	48	0.0	-47.22	344.08	9.07	-38.15
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CCC2CCCC[N@H+]21	REAL300003217279	1	48	0.0	-45.23	344.66	9.06	-36.17
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])=C2)CC1	REAL300003217293	0	56	0.0	-75.57	413.19	9.06	-66.51
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])C=C2)CC1	REAL300003217294	0	56	0.0	-79.84	413.22	9.14	-70.70
CN1CC[NH+](CC2=CC=C(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])C=C2)CC1	REAL300003217294	1	56	0.0	-78.29	412.31	8.95	-69.34
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=C1	REAL300003217295	0	57	0.0	-77.89	420.18	10.79	-67.10
CC(C)[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])CC1	REAL300003217301	0	50	0.0	-63.63	355.15	9.06	-54.57
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003217388	0	58	0.0	-81.26	427.87	8.87	-72.39
C[NH+](C)CC1=CC=CC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=C1	REAL300003217392	0	47	0.0	-72.64	354.45	9.70	-62.94
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003217393	0	54	0.0	-47.59	385.37	11.59	-36.00
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003217393	1	54	0.0	-57.54	397.66	11.34	-46.20
C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])CC1	REAL300003217439	0	46	0.0	-68.21	345.96	9.07	-59.14
CC[NH+]1CCN(CCC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])CC1	REAL300003217442	0	52	0.0	-68.85	375.07	6.86	-61.99
CCN1CC[NH+](CCC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])CC1	REAL300003217442	1	52	0.0	-54.52	373.98	6.71	-47.81
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217449	1	48	0.0	-53.77	362.06	9.30	-44.47
CC(C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-])[NH+]1CCCCCC1	REAL300003217478	0	50	0.0	-47.51	346.93	8.53	-38.98
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])=CC=C1N2	REAL300003217510	1	52	0.0	-80.35	390.29	10.03	-70.32
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])=CC=C1N2	REAL300003217510	1	52	0.0	-79.78	389.33	10.15	-69.63
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])O1	REAL300003217554	0	50	0.0	-72.18	377.24	9.21	-62.97
O=C(CCCC[NH+]1CCCC1)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217555	0	50	0.0	-65.09	366.86	9.43	-55.66
CC1=CC=C(N2CCC(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300003217557	1	53	0.0	-66.75	390.90	8.98	-57.77
C[N@H+](CC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300003217558	1	47	0.0	-50.87	354.08	9.73	-41.14
C[N@@H+](CC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300003217558	1	47	0.0	-49.61	353.39	9.82	-39.79
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])C=C2)CC1	REAL300003217562	0	59	0.0	-78.59	422.58	10.02	-68.57
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003217573	1	42	0.0	-74.45	336.40	7.51	-66.94
C[NH+](C)CC1=CC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=NO1	REAL300003217595	1	43	0.0	-77.00	334.32	7.18	-69.82
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217601	0	54	0.0	-59.59	401.08	11.12	-48.47
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL300003217601	1	54	0.0	-58.04	398.21	11.17	-46.87
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=C1	REAL300003217624	0	55	0.0	-80.66	418.86	10.65	-70.01
C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])CC1	REAL300003217636	0	48	0.0	-73.18	356.61	8.31	-64.87
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003217642	0	51	0.0	-72.73	381.37	9.78	-62.95
CCC[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C1	REAL300003217779	0	50	0.0	-51.68	353.99	9.38	-42.30
CCC[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C1	REAL300003217779	1	50	0.0	-44.16	348.60	9.32	-34.84
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C[NH+]1CCC(CO)CC1	REAL300003217808	1	48	0.0	-48.61	349.91	5.39	-43.22
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C1	REAL300003217978	0	50	0.0	-57.14	355.36	9.00	-48.14
CC(C)[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C1	REAL300003217978	1	50	0.0	-43.89	345.46	9.11	-34.78
C[N@@H+]1CC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300003217979	0	44	0.0	-70.22	340.04	7.94	-62.28
C[N@H+]1CC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300003217979	1	44	0.0	-62.33	326.27	8.59	-53.74
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])N1	REAL300003218003	1	45	0.0	-52.57	346.75	7.46	-45.11
C[NH+](C)CCC1=CC=CC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])=C1	REAL300003218377	0	50	0.0	-76.45	376.87	10.54	-65.91
C[NH+](C)CCOC1=CC=C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C=C1	REAL300003218383	0	51	0.0	-79.52	384.44	9.50	-70.02
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003218466	0	57	0.0	-64.45	416.49	11.97	-52.48
CC1C[N@H+](CC2=CC=C(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300003218468	1	55	0.0	-80.05	401.93	9.82	-70.23
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])C=C2)CCO1	REAL300003218468	1	55	0.0	-77.84	401.81	9.85	-67.99
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])CC1	REAL300003218494	0	50	0.0	-42.65	343.34	8.87	-33.78
CC1=[NH+]C=C2C=CC(C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)[O-])=CN21	REAL300003218499	0	42	0.0	-60.87	328.49	9.35	-51.52
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C1	REAL300003218547	0	53	0.0	-51.88	371.50	10.06	-41.82
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])C1	REAL300003218547	1	53	0.0	-57.85	378.36	9.77	-48.08
C[NH+](C)CC1=CC=C(C(=O)N[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)[O-])O1	REAL300003218552	1	44	0.0	-75.56	340.35	7.76	-67.80
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003218559	0	46	0.0	-59.93	334.47	8.88	-51.05
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300003218559	1	46	0.0	-57.32	333.15	9.33	-47.99
C[C@H]1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC[C@H]1C(=O)[O-]	REAL300003219877	0	53	0.0	-75.66	386.00	11.60	-64.06
C[C@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC[C@H]1C(=O)[O-]	REAL300003220658	0	50	0.0	-65.04	367.78	10.90	-54.14
C[C@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC[C@H]1C(=O)[O-]	REAL300003220658	1	50	0.0	-60.67	360.09	10.36	-50.31
C[C@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC[C@H]1C(=O)[O-]	REAL300003221454	1	50	0.0	-67.79	379.12	10.96	-56.83
C[C@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC[C@H]1C(=O)[O-]	REAL300003221454	1	50	0.0	-63.21	376.88	10.89	-52.32
CC1=[NH+]C=C2CCC(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)CN12	REAL300003221542	1	45	0.0	-61.47	332.12	8.88	-52.59
C[C@H]1CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC[C@H]1C(=O)[O-]	REAL300003221543	0	53	0.0	-64.16	386.24	11.43	-52.73
CC1=NC(C[NH+]2CCC(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)CC2)=CS1	REAL300003221608	1	52	0.0	-73.48	393.81	9.31	-64.17
C[C@H]1CN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)CC[C@H]1C(=O)[O-]	REAL300003221683	0	56	0.0	-73.44	420.01	11.19	-62.25
C[C@H]1CN(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)CC[C@H]1C(=O)[O-]	REAL300003221697	0	56	0.0	-75.50	421.72	13.21	-62.29
C[C@H]1CN(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)CC[C@H]1C(=O)[O-]	REAL300003221697	1	56	0.0	-76.23	421.63	13.20	-63.03
C[C@H]1CN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)CC[C@H]1C(=O)[O-]	REAL300003221698	0	56	0.0	-71.94	391.87	11.50	-60.44
C[C@H]1CN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003221741	0	53	0.0	-66.13	392.38	11.04	-55.09
C[C@H]1CN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003221741	1	53	0.0	-75.80	390.45	11.08	-64.72
C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C(=O)[O-]	REAL300003221781	0	52	0.0	-58.69	337.31	9.36	-49.33
C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C(=O)[O-]	REAL300003221784	0	52	0.0	-70.22	364.36	10.06	-60.16
C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C(=O)[O-]	REAL300003221784	1	52	0.0	-70.71	364.36	10.04	-60.67
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC[C@H]1C(=O)[O-]	REAL300003221808	1	53	0.0	-71.62	382.80	11.29	-60.33
C[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC[C@H]1C(=O)[O-]	REAL300003221808	1	53	0.0	-69.04	389.46	11.58	-57.46
C[C@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC[C@H]1C(=O)[O-]	REAL300003221809	1	50	0.0	-68.58	368.80	10.50	-58.08
C[C@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC[C@H]1C(=O)[O-]	REAL300003221809	1	50	0.0	-64.08	366.56	10.44	-53.64
C[C@H]1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC[C@H]1C(=O)[O-]	REAL300003221864	0	46	0.0	-73.00	353.89	8.70	-64.30
C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)CC[C@H]1C(=O)[O-]	REAL300003221869	0	56	0.0	-76.10	419.57	10.81	-65.29
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC[C@H]1C(=O)[O-]	REAL300003221895	0	53	0.0	-63.10	356.32	9.94	-53.16
C[C@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC[C@H]1C(=O)[O-]	REAL300003221895	1	53	0.0	-62.17	355.36	9.96	-52.21
C[C@H]1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC[C@H]1C(=O)[O-]	REAL300003221896	0	54	0.0	-67.90	367.30	8.34	-59.56
C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[C@H]1C(=O)[O-]	REAL300003221924	1	50	0.0	-73.86	364.22	8.04	-65.82
CC[N@H+](CC1=CC=C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C=C1)C(C)C	REAL300003221925	0	55	0.0	-73.93	385.54	11.02	-62.91
CC[N@@H+](CC1=CC=C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C=C1)C(C)C	REAL300003221925	1	55	0.0	-72.99	384.35	10.80	-62.19
C[C@H]1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003221949	0	50	0.0	-71.39	366.90	10.74	-60.65
C[C@H]1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003221949	1	50	0.0	-70.59	366.94	10.83	-59.76
C[C@H]1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC[C@H]1C(=O)[O-]	REAL300003221950	0	51	0.0	-79.23	367.87	9.99	-69.24
C[C@H]1CN(C(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)CC[C@H]1C(=O)[O-]	REAL300003221972	1	55	0.0	-68.49	388.61	8.54	-59.95
C[C@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC[C@H]1C(=O)[O-]	REAL300003221973	0	54	0.0	-69.76	362.66	8.33	-61.43
CC(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)[N@H+](C)CC1=CC=CC=C1	REAL300003221976	0	49	0.0	-68.51	359.46	10.36	-58.15
CC(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003221976	1	49	0.0	-66.79	359.35	10.36	-56.43
C[C@H]1CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003221986	0	56	0.0	-65.25	400.19	12.55	-52.70
C[C@H]1CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003221986	1	56	0.0	-72.88	406.16	12.30	-60.58
C[C@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)CC[C@H]1C(=O)[O-]	REAL300003222017	0	45	0.0	-76.14	338.54	7.74	-68.40
CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	REAL300003222029	0	54	0.0	-70.70	383.64	10.28	-60.42
C[C@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CC[C@H]1C(=O)[O-]	REAL300003222030	1	54	0.0	-60.53	390.49	8.18	-52.35
CC[N@H+](C)C(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)C1=CC=CC=C1	REAL300003222031	0	49	0.0	-64.98	350.75	10.01	-54.97
CC[N@@H+](C)C(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)C1=CC=CC=C1	REAL300003222031	1	49	0.0	-62.65	354.76	10.34	-52.31
CC[NH+](CC)C(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)C1=CC=CC=C1	REAL300003222036	0	52	0.0	-59.10	357.10	10.27	-48.83
C[C@H]1CN(C(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)CC[C@H]1C(=O)[O-]	REAL300003222042	1	46	0.0	-64.33	350.81	10.13	-54.20
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC[C@H]1C(=O)[O-]	REAL300003222056	0	50	0.0	-75.83	369.88	10.75	-65.08
C[C@H]1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC[C@H]1C(=O)[O-]	REAL300003222063	0	53	0.0	-70.95	386.57	11.48	-59.47
CCN1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)CC2)CC1	REAL300003222069	0	61	0.0	-70.97	417.43	9.07	-61.90
CC1C[NH+](CC2=CC=C(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)C=C2)CC(C)O1	REAL300003222076	1	57	0.0	-78.86	420.53	10.53	-68.33
C[C@H]1CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC[C@H]1C(=O)[O-]	REAL300003222085	1	54	0.0	-75.28	390.94	10.48	-64.80
C[C@H]1CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC[C@H]1C(=O)[O-]	REAL300003222085	1	54	0.0	-76.79	401.33	11.02	-65.77
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC[C@H]1C(=O)[O-]	REAL300003222099	0	53	0.0	-66.70	376.38	11.22	-55.48
C[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC[C@H]1C(=O)[O-]	REAL300003222099	1	53	0.0	-63.39	372.99	11.10	-52.29
CC1=C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C=NN1C1=CC=[NH+]C=C1	REAL300003222101	1	44	0.0	-77.01	342.04	8.00	-69.01
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC[C@H]1C(=O)[O-]	REAL300003222109	0	53	0.0	-76.01	387.20	11.51	-64.50
C[C@H]1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC[C@H]1C(=O)[O-]	REAL300003222121	1	46	0.0	-75.47	347.08	8.88	-66.59
C[C@H]1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)CC[C@H]1C(=O)[O-]	REAL300003222122	0	49	0.0	-78.03	365.23	10.48	-67.55
C[C@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC[C@H]1C(=O)[O-]	REAL300003222130	1	51	0.0	-71.32	376.31	10.28	-61.04
C[C@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC[C@H]1C(=O)[O-]	REAL300003222130	1	51	0.0	-77.84	375.52	10.22	-67.62
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	REAL300003222136	0	60	0.0	-61.47	425.61	11.84	-49.63
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	REAL300003222136	1	60	0.0	-62.87	420.86	12.39	-50.48
CC(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003222144	0	59	0.0	-67.81	414.57	12.47	-55.34
CC(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)[NH+]1CCSCC1	REAL300003222174	1	44	0.0	-65.21	323.96	8.25	-56.96
C[C@H]1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)CC[C@H]1C(=O)[O-]	REAL300003222181	0	49	0.0	-71.63	366.18	10.88	-60.75
C[C@H]1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)CC[C@H]1C(=O)[O-]	REAL300003222181	1	49	0.0	-71.47	366.18	10.88	-60.59
COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	REAL300003222182	0	53	0.0	-70.77	394.08	7.01	-63.76
COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	REAL300003222182	1	53	0.0	-71.13	395.19	7.11	-64.02
C[C@H]1CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC[C@H]1C(=O)[O-]	REAL300003222192	0	58	0.0	-75.44	420.26	10.59	-64.85
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC[C@H]1C(=O)[O-]	REAL300003222193	1	52	0.0	-71.64	371.36	9.49	-62.15
C[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC[C@H]1C(=O)[O-]	REAL300003222193	1	52	0.0	-68.47	379.15	9.83	-58.64
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC[C@H]1C(=O)[O-]	REAL300003222194	1	52	0.0	-68.52	369.58	9.43	-59.09
C[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC[C@H]1C(=O)[O-]	REAL300003222194	1	52	0.0	-65.96	379.23	9.74	-56.22
C[C@H]1CN(C(=O)C[N@H+](C)C2CCSC2)CC[C@H]1C(=O)[O-]	REAL300003222218	0	44	0.0	-72.67	326.69	8.64	-64.03
C[C@H]1CN(C(=O)C[N@@H+](C)C2CCSC2)CC[C@H]1C(=O)[O-]	REAL300003222218	1	44	0.0	-71.79	325.29	8.65	-63.14
CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1	REAL300003222229	0	54	0.0	-68.21	382.40	7.66	-60.55
CC(C)N1CC[NH+](CCC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1	REAL300003222229	1	54	0.0	-70.94	381.66	7.66	-63.28
CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1	REAL300003222230	0	57	0.0	-68.94	403.92	8.45	-60.49
CC(C)N1CC[NH+](CCCC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1	REAL300003222230	1	57	0.0	-71.07	399.63	8.26	-62.81
C[C@H]1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)CC[C@H]1C(=O)[O-]	REAL300003222232	0	46	0.0	-77.55	349.43	7.65	-69.90
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)CC2)=C1	REAL300003222237	0	58	0.0	-74.93	420.18	10.46	-64.47
C[C@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC[C@H]1C(=O)[O-]	REAL300003222239	0	55	0.0	-75.12	399.29	9.78	-65.34
C[C@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003222243	0	52	0.0	-68.03	374.50	9.83	-58.20
C[C@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003222243	1	52	0.0	-71.39	381.58	9.62	-61.77
CC(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003222248	0	50	0.0	-66.86	359.81	10.65	-56.21
CC(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003222248	1	50	0.0	-65.63	363.66	10.82	-54.81
CCC(CC)C(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)[NH+]1CCOCC1	REAL300003222263	1	56	0.0	-60.32	370.89	8.39	-51.93
C[C@H]1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003222276	0	53	0.0	-73.70	390.05	11.64	-62.06
C[C@H]1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003222276	1	53	0.0	-74.11	390.34	11.65	-62.46
C[C@H]1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)CC[C@H]1C(=O)[O-]	REAL300003222288	0	46	0.0	-78.59	347.52	8.30	-70.29
C[C@H]1CN(C(=O)C2=CC=NN2CC[NH+](C)C)CC[C@H]1C(=O)[O-]	REAL300003222289	0	46	0.0	-65.16	341.70	7.49	-57.67
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	REAL300003222294	1	47	0.0	-63.22	351.75	9.73	-53.49
C[C@H]1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)CC[C@H]1C(=O)[O-]	REAL300003222297	1	47	0.0	-77.50	350.31	7.80	-69.70
C[C@H]1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)CC[C@H]1C(=O)[O-]	REAL300003222297	1	47	0.0	-75.66	341.47	7.16	-68.50
C[C@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003222308	0	53	0.0	-68.91	383.62	11.65	-57.26
C[C@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003222308	1	53	0.0	-73.39	394.34	11.62	-61.77
C[C@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC[C@H]1C(=O)[O-]	REAL300003222309	1	49	0.0	-64.90	359.58	8.84	-56.06
C[C@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC[C@H]1C(=O)[O-]	REAL300003222309	1	49	0.0	-68.24	359.73	8.94	-59.30
C[C@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC[C@H]1C(=O)[O-]	REAL300003222313	0	54	0.0	-74.25	396.48	9.21	-65.04
C[C@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC[C@H]1C(=O)[O-]	REAL300003222359	0	53	0.0	-69.81	370.18	10.23	-59.58
C[C@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC[C@H]1C(=O)[O-]	REAL300003222359	1	53	0.0	-68.80	368.93	10.23	-58.57
C[C@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)CC[C@H]1C(=O)[O-]	REAL300003222379	0	58	0.0	-74.35	417.49	10.62	-63.73
C[C@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)CC[C@H]1C(=O)[O-]	REAL300003222379	1	58	0.0	-72.33	414.18	10.97	-61.36
C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@H]1C(=O)[O-]	REAL300003222386	0	50	0.0	-69.88	340.73	7.04	-62.84
CC(C)[N@@H+]1CCC(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C(C2=CN(C)N=C2)C1	REAL300003222389	0	59	0.0	-69.25	404.85	9.64	-59.61
CC(C)[N@H+]1CCC(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C(C2=CN(C)N=C2)C1	REAL300003222389	1	59	0.0	-75.59	418.36	9.84	-65.75
C[C@H]1CN(C(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)CC[C@H]1C(=O)[O-]	REAL300003222390	0	53	0.0	-78.78	385.63	8.77	-70.01
C[C@H]1CN(C(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)CC[C@H]1C(=O)[O-]	REAL300003222390	1	53	0.0	-82.98	383.93	8.73	-74.25
C[C@H]1CN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)CC[C@H]1C(=O)[O-]	REAL300003222396	0	55	0.0	-74.95	401.55	9.01	-65.94
C[C@H]1CN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)CC[C@H]1C(=O)[O-]	REAL300003222397	0	55	0.0	-75.72	404.26	9.08	-66.64
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)CC[C@H]1C(=O)[O-]	REAL300003222397	1	55	0.0	-77.50	400.87	8.94	-68.56
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C=C1	REAL300003222398	0	56	0.0	-73.27	405.97	10.46	-62.81
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CC[C@H]1C(=O)[O-]	REAL300003222499	0	57	0.0	-78.65	418.88	8.81	-69.84
C[C@H]1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)CC[C@H]1C(=O)[O-]	REAL300003222503	0	46	0.0	-71.57	345.01	9.61	-61.96
C[C@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003222504	0	53	0.0	-67.08	378.62	11.60	-55.48
C[C@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003222504	1	53	0.0	-67.57	387.67	11.57	-56.00
C[C@H]1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)CC[C@H]1C(=O)[O-]	REAL300003222560	0	46	0.0	-66.32	342.12	9.68	-56.64
CC[NH+]1CCN(CCC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1	REAL300003222562	0	51	0.0	-69.81	365.61	7.16	-62.65
CCN1CC[NH+](CCC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1	REAL300003222562	1	51	0.0	-70.57	364.56	7.11	-63.46
CC(C)C(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)[NH+]1CCCCC1	REAL300003222565	0	52	0.0	-61.56	349.88	10.00	-51.56
C[C@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)CC[C@H]1C(=O)[O-]	REAL300003222566	1	46	0.0	-64.72	338.86	9.74	-54.98
C[C@H]1CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003222570	0	51	0.0	-71.37	376.66	7.71	-63.66
C[C@H]1CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC[C@H]1C(=O)[O-]	REAL300003222570	1	51	0.0	-66.30	372.32	7.81	-58.49
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	REAL300003222575	1	47	0.0	-63.16	352.42	9.64	-53.52
C[C@H]1CN(C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)CC[C@H]1C(=O)[O-]	REAL300003222576	0	49	0.0	-63.43	369.40	10.33	-53.10
C[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CC[C@H]1C(=O)[O-]	REAL300003222580	0	50	0.0	-63.52	346.33	9.78	-53.74
C[C@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)CC[C@H]1C(=O)[O-]	REAL300003222580	1	50	0.0	-62.85	331.47	9.00	-53.85
C[C@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)CC[C@H]1C(=O)[O-]	REAL300003222603	1	51	0.0	-63.85	378.98	11.16	-52.69
CC(C)C(C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)[NH+]1CC(C)OC(C)C1	REAL300003222604	1	56	0.0	-65.22	372.10	8.65	-56.57
C[C@H]1CN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)CC[C@H]1C(=O)[O-]	REAL300003222632	1	51	0.0	-80.78	376.89	10.02	-70.76
C[C@H]1CN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)CC[C@H]1C(=O)[O-]	REAL300003222632	1	51	0.0	-80.49	376.82	10.03	-70.46
CC[NH+](CC)CC1=CC=C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)O1	REAL300003222684	0	49	0.0	-71.62	359.95	9.36	-62.26
CC1=CC=C(N2CCC(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)CC2)[NH+]=C1	REAL300003222685	1	52	0.0	-68.46	376.65	9.16	-59.30
C[C@H]1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)CC[C@H]1C(=O)[O-]	REAL300003222686	1	46	0.0	-71.31	342.62	10.01	-61.30
C[C@H]1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)CC[C@H]1C(=O)[O-]	REAL300003222686	1	46	0.0	-71.28	343.70	10.03	-61.25
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)C=C2)CC1	REAL300003222689	0	58	0.0	-76.49	409.59	9.91	-66.58
C[C@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC[C@H]1C(=O)[O-]	REAL300003222700	1	41	0.0	-76.66	323.36	7.55	-69.11
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	REAL300003222734	0	53	0.0	-72.48	380.13	11.11	-61.37
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	REAL300003222734	1	53	0.0	-67.66	387.11	11.37	-56.29
C[C@H]1CN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)CC[C@H]1C(=O)[O-]	REAL300003222752	0	54	0.0	-75.45	408.35	10.95	-64.50
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC[C@H]1C(=O)[O-]	REAL300003222770	0	50	0.0	-72.66	369.24	10.06	-62.60
C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)CC[C@H]1C(=O)[O-]	REAL300003222801	0	52	0.0	-73.68	379.39	9.58	-64.10
C[C@H]1CN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)CC[C@H]1C(=O)[O-]	REAL300003222801	1	52	0.0	-70.08	375.44	9.37	-60.71
C[C@H]1CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC[C@H]1C(=O)[O-]	REAL300003223040	0	54	0.0	-75.00	387.98	11.63	-63.37
C[C@H]1CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC[C@H]1C(=O)[O-]	REAL300003223040	1	54	0.0	-76.76	392.06	11.63	-65.13
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC[C@H]1C(=O)[O-]	REAL300003223072	1	53	0.0	-67.96	381.05	11.26	-56.70
C[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC[C@H]1C(=O)[O-]	REAL300003223072	1	53	0.0	-66.83	379.42	11.10	-55.73
C[C@H]1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)CC[C@H]1C(=O)[O-]	REAL300003223155	0	43	0.0	-68.12	317.94	7.66	-60.46
C[C@H]1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)CC[C@H]1C(=O)[O-]	REAL300003223155	1	43	0.0	-80.61	309.77	7.54	-73.07
C[C@H]1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)CC[C@H]1C(=O)[O-]	REAL300003223587	0	49	0.0	-72.68	367.51	10.45	-62.23
C[C@H]1CN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)CC[C@H]1C(=O)[O-]	REAL300003223593	0	50	0.0	-75.28	374.55	9.41	-65.87
C[C@H]1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC[C@H]1C(=O)[O-]	REAL300003223672	0	56	0.0	-72.95	406.44	12.37	-60.58
CC1C[N@H+](CC2=CC=C(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)C=C2)CCO1	REAL300003223674	1	54	0.0	-79.39	399.09	9.83	-69.56
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)C=C2)CCO1	REAL300003223674	1	54	0.0	-78.35	399.75	9.85	-68.50
CC(C)C[N@@H+]1CCCC(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1	REAL300003223760	0	52	0.0	-63.98	358.64	10.11	-53.87
CC(C)C[N@H+]1CCCC(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C1	REAL300003223760	1	52	0.0	-63.98	358.64	10.11	-53.87
C[C@H]1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)CC[C@H]1C(=O)[O-]	REAL300003223768	0	52	0.0	-72.40	347.41	9.00	-63.40
C[C@H]1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)CC[C@H]1C(=O)[O-]	REAL300003223768	1	52	0.0	-72.40	347.41	9.00	-63.40
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=N1	REAL300003225041	0	53	0.0	-71.38	410.08	9.76	-61.62
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=N1	REAL300003225759	1	50	0.0	-60.40	392.83	9.18	-51.22
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=N1	REAL300003225759	1	50	0.0	-57.63	386.73	8.66	-48.97
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=N1	REAL300003226706	0	47	0.0	-64.55	358.40	7.39	-57.16
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=N1	REAL300003226736	1	44	0.0	-60.53	340.52	6.53	-54.00
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@H+]2C2CC2)C=N1	REAL300003226736	1	44	0.0	-56.13	340.08	6.80	-49.33
CC1=[NH+]C=C2CCC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)CN21	REAL300003226742	1	45	0.0	-58.47	356.64	7.26	-51.21
CC(C)(C(=O)[O-])N1C=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=N1	REAL300003226743	0	53	0.0	-61.95	410.49	9.57	-52.38
CC1=NC(C[NH+]2CCC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)CC2)=CS1	REAL300003226821	1	52	0.0	-70.83	418.70	7.55	-63.28
CC(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)N1CC[NH+](C)CC1	REAL300003226822	1	48	0.0	-66.91	363.85	4.47	-62.44
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=C1	REAL300003226909	0	56	0.0	-69.83	443.06	9.30	-60.53
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C=N1	REAL300003226922	0	56	0.0	-62.32	421.30	10.11	-52.21
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=N1	REAL300003226980	0	38	0.0	-64.97	317.71	7.98	-56.99
C[NH+](C)CC1(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CCCCC1	REAL300003227013	0	52	0.0	-58.70	377.17	7.87	-50.83
C[N@H+](CCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1CCCCC1	REAL300003227018	0	52	0.0	-65.57	385.96	8.06	-57.51
C[N@@H+](CCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1CCCCC1	REAL300003227018	1	52	0.0	-65.66	387.41	8.12	-57.54
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=N1	REAL300003227097	0	46	0.0	-70.25	379.81	7.27	-62.98
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=N1	REAL300003227122	0	53	0.0	-58.04	381.67	8.45	-49.59
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=N1	REAL300003227122	1	53	0.0	-57.35	380.22	8.38	-48.97
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C=N1	REAL300003227123	0	54	0.0	-58.85	394.20	6.66	-52.19
CC1=[NH+]C=CN1CCCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227154	1	44	0.0	-62.62	359.96	7.45	-55.17
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCCC[NH+]2CCOCC2)C=N1	REAL300003227155	1	50	0.0	-70.84	388.86	6.23	-64.61
CC[N@H+](CC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=C1)C(C)C	REAL300003227157	0	55	0.0	-71.70	409.89	9.58	-62.12
CC[N@@H+](CC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=C1)C(C)C	REAL300003227157	1	55	0.0	-71.98	408.87	9.49	-62.49
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300003227182	0	50	0.0	-65.54	392.10	8.92	-56.62
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300003227182	1	50	0.0	-66.05	393.83	8.99	-57.06
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C=N1	REAL300003227183	0	51	0.0	-72.74	388.82	8.17	-64.57
C[NH+]1CCN(C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C2=CC=CC=C2)CC1	REAL300003227211	1	55	0.0	-63.47	422.40	7.84	-55.63
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C=N1	REAL300003227212	0	54	0.0	-65.13	384.29	6.33	-58.80
CCC(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)[NH+](CC)CC	REAL300003227216	0	48	0.0	-56.93	356.72	6.94	-49.99
CC(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)[N@H+](C)CC1=CC=CC=C1	REAL300003227218	1	49	0.0	-60.83	382.51	8.48	-52.35
CC(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003227218	1	49	0.0	-61.88	383.74	8.53	-53.35
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C=N1	REAL300003227229	0	56	0.0	-68.39	431.20	10.52	-57.87
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C=N1	REAL300003227229	1	56	0.0	-61.01	426.37	10.79	-50.22
C[NH+](C)CC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=N1	REAL300003227255	0	45	0.0	-69.56	362.95	6.17	-63.39
CCC[NH+](CCC)CCCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227265	0	54	0.0	-66.30	407.08	8.47	-57.83
CC[N@H+](C)C(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300003227267	1	49	0.0	-56.43	382.14	8.65	-47.78
CC[N@@H+](C)C(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300003227267	1	49	0.0	-57.74	380.03	8.64	-49.10
CC[NH+](CC)C(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300003227272	0	52	0.0	-57.90	388.36	8.95	-48.95
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227279	1	44	0.0	-57.55	353.19	7.22	-50.33
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=N1	REAL300003227296	0	50	0.0	-71.68	391.94	9.18	-62.50
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=N1	REAL300003227303	0	53	0.0	-67.57	407.25	9.82	-57.75
CCN1CCC([NH+]2CCC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)CC2)CC1	REAL300003227309	0	61	0.0	-67.58	438.79	7.11	-60.47
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C=N1	REAL300003227329	1	54	0.0	-74.15	415.10	8.87	-65.28
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C=N1	REAL300003227329	1	54	0.0	-72.77	423.36	9.00	-63.77
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=N1	REAL300003227344	1	53	0.0	-60.00	396.83	9.44	-50.56
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=N1	REAL300003227344	1	53	0.0	-58.51	406.19	9.63	-48.88
CC1=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=NN1C1=CC=[NH+]C=C1	REAL300003227346	1	44	0.0	-74.44	366.34	6.52	-67.92
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=N1	REAL300003227354	0	53	0.0	-72.03	408.68	9.89	-62.14
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=N1	REAL300003227367	1	46	0.0	-72.07	372.42	6.64	-65.43
C[NH+](C)CCC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=C1	REAL300003227368	0	49	0.0	-75.07	391.21	8.96	-66.11
CC(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003227393	1	59	0.0	-60.74	441.88	10.89	-49.85
C[N@H+](CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)CC(C)(C)C	REAL300003227445	0	48	0.0	-62.08	356.83	6.95	-55.13
C[N@@H+](CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)CC(C)(C)C	REAL300003227445	1	48	0.0	-61.70	357.33	7.03	-54.67
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227447	1	49	0.0	-65.98	386.68	8.93	-57.05
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227447	1	49	0.0	-65.96	386.69	8.93	-57.03
COCCOCC[N@H+](C)CCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227448	0	53	0.0	-66.05	417.16	5.16	-60.89
COCCOCC[N@@H+](C)CCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227448	1	53	0.0	-66.63	417.17	5.16	-61.47
C[N@@H+]1CCCC(O)(CC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300003227452	0	47	0.0	-64.33	356.44	4.89	-59.44
C[N@H+]1CCCC(O)(CC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300003227452	1	47	0.0	-64.82	345.28	4.65	-60.17
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C=N1	REAL300003227469	0	58	0.0	-71.11	443.30	8.68	-62.43
CCCCCC[N@H+](C)CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227473	0	51	0.0	-63.55	392.71	8.31	-55.24
CCCCCC[N@@H+](C)CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227473	1	51	0.0	-63.64	392.72	8.31	-55.33
CC(C)(C(=O)[O-])N1C=C(NC(=O)C23CCC[NH+]2CCC3)C=N1	REAL300003227483	0	44	0.0	-58.68	333.55	6.49	-52.19
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=N1	REAL300003227491	1	38	0.0	-69.04	317.97	8.00	-61.04
C[N@H+](CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1CCSC1	REAL300003227508	1	44	0.0	-66.57	347.03	6.72	-59.85
C[N@@H+](CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1CCSC1	REAL300003227508	1	44	0.0	-67.04	348.26	6.80	-60.24
CC(C)[NH+]1CCN(CCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300003227523	0	54	0.0	-64.36	404.35	5.72	-58.64
CC(C)[NH+]1CCN(CCCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300003227524	0	57	0.0	-65.33	427.44	6.61	-58.72
CC(C)N1CC[NH+](CCCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300003227524	1	57	0.0	-66.40	421.22	6.29	-60.11
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCCC3CCC[N@@H+]32)C=N1	REAL300003227525	0	47	0.0	-59.17	344.18	7.02	-52.15
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCCC3CCC[N@H+]32)C=N1	REAL300003227525	1	47	0.0	-54.70	351.90	7.30	-47.40
C[NH+](C)CCN1C=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=N1	REAL300003227527	0	46	0.0	-74.32	374.89	6.12	-68.20
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)CC2)=C1	REAL300003227535	0	58	0.0	-70.12	443.20	8.54	-61.58
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=N1	REAL300003227537	0	55	0.0	-70.03	421.79	7.88	-62.15
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C=N1	REAL300003227540	0	52	0.0	-67.42	397.38	8.09	-59.33
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C=N1	REAL300003227540	1	52	0.0	-67.99	404.97	7.86	-60.13
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300003227569	0	53	0.0	-69.90	412.69	9.69	-60.21
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300003227569	1	53	0.0	-69.79	413.13	9.70	-60.09
C[NH+](C)CCN1C=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=N1	REAL300003227585	0	46	0.0	-74.35	372.25	6.01	-68.34
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227586	0	46	0.0	-60.02	368.75	6.01	-54.01
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227592	1	47	0.0	-59.09	374.95	7.76	-51.33
CC[C@@H]1[C@@H](C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC[N@@H+]1C	REAL300003227595	0	46	0.0	-65.53	344.55	6.16	-59.37
CC[C@@H]1[C@@H](C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC[N@H+]1C	REAL300003227595	1	46	0.0	-65.00	350.08	6.46	-58.54
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=NN1	REAL300003227598	1	47	0.0	-72.29	374.79	5.61	-66.68
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=NN1	REAL300003227598	1	47	0.0	-70.40	370.12	5.13	-65.27
CC1C[N@H+](C)CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)O1	REAL300003227607	1	44	0.0	-76.80	348.52	5.77	-71.03
CC1C[N@@H+](C)CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)O1	REAL300003227607	1	44	0.0	-71.90	338.87	5.13	-66.77
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C=N1	REAL300003227613	0	53	0.0	-67.79	410.31	9.99	-57.80
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C=N1	REAL300003227613	1	53	0.0	-67.74	415.07	9.72	-58.02
CC(C[NH+]1CCOCC1)C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227619	1	47	0.0	-65.65	360.32	5.25	-60.40
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C=N1	REAL300003227620	0	54	0.0	-69.43	418.11	7.22	-62.21
CC1CC[NH+](CC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300003227630	1	46	0.0	-64.35	353.55	7.13	-57.22
CC[N@@H+]1CCOC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300003227645	1	44	0.0	-67.76	344.16	5.54	-62.22
CC[N@H+]1CCOC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300003227645	1	44	0.0	-59.17	337.05	5.35	-53.82
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=N1	REAL300003227685	0	53	0.0	-63.67	393.53	8.42	-55.25
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C=N1	REAL300003227685	1	53	0.0	-64.71	394.33	8.41	-56.30
C[N@@H+]1CCCC1CCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227692	0	46	0.0	-66.20	351.14	6.83	-59.37
C[N@H+]1CCCC1CCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227692	1	46	0.0	-64.52	349.53	6.52	-58.00
CC(C)(C(=O)[O-])N1C=C(NC(=O)C23CCC[NH+](CCC2)C3)C=N1	REAL300003227705	0	47	0.0	-65.62	346.41	6.72	-58.90
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227709	1	44	0.0	-61.70	337.37	2.60	-59.10
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227709	1	44	0.0	-61.29	335.41	2.67	-58.62
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=N1	REAL300003227710	0	47	0.0	-58.53	349.80	7.02	-51.51
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC3CCCC[N@H+]32)C=N1	REAL300003227710	1	47	0.0	-56.24	355.12	7.39	-48.85
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227718	0	50	0.0	-62.30	371.40	5.71	-56.59
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=N1	REAL300003227723	0	53	0.0	-75.64	403.99	6.86	-68.78
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=N1	REAL300003227723	1	53	0.0	-76.62	414.60	7.43	-69.19
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=C2)CC1	REAL300003227728	0	55	0.0	-71.17	427.35	7.53	-63.64
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)C=C2)CC1	REAL300003227729	0	55	0.0	-70.69	427.34	7.54	-63.15
CN1CC[NH+](CC2=CC=C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)C=C2)CC1	REAL300003227729	1	55	0.0	-72.83	425.21	7.33	-65.50
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=C1	REAL300003227730	0	56	0.0	-71.06	433.72	9.27	-61.79
CC(C)[NH+]1CCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300003227738	0	49	0.0	-64.79	367.89	7.38	-57.41
CC(C)(C(=O)[O-])N1C=C(NC(=O)C23CC[N@H+](C2)CCC3)C=N1	REAL300003227825	0	44	0.0	-64.79	329.47	5.68	-59.11
CC(C)(C(=O)[O-])N1C=C(NC(=O)C23CC[N@@H+](C2)CCC3)C=N1	REAL300003227825	1	44	0.0	-65.63	331.08	5.74	-59.89
CC1CCC(C)[NH+]1CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227878	0	46	0.0	-60.33	335.23	6.13	-54.20
C[NH+](C)CC1=CC=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=C1	REAL300003227879	0	46	0.0	-68.88	367.14	8.03	-60.85
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300003227880	0	53	0.0	-62.15	402.43	9.86	-52.29
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300003227880	1	53	0.0	-64.43	410.09	9.71	-54.72
C#CC[NH+]1CCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300003227950	0	45	0.0	-69.98	359.85	7.43	-62.55
CCC[N@@H+]1CCCCC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227952	0	49	0.0	-57.70	368.87	7.47	-50.23
CCC[N@H+]1CCCCC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227952	1	49	0.0	-59.87	359.42	7.28	-52.59
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227953	0	46	0.0	-54.83	359.83	8.26	-46.57
CC[NH+]1CCN(CCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300003227955	0	51	0.0	-66.89	386.44	5.05	-61.84
CCN1CC[NH+](CCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300003227955	1	51	0.0	-65.78	387.61	5.20	-60.58
CC(C)C(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)[NH+]1CCCCC1	REAL300003227957	0	52	0.0	-60.46	382.89	8.44	-52.02
C[NH+](C)C(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300003227958	1	46	0.0	-58.24	363.72	8.03	-50.21
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300003227962	0	51	0.0	-62.70	402.79	6.00	-56.70
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300003227962	1	51	0.0	-63.14	402.70	6.00	-57.14
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003227968	1	47	0.0	-58.68	374.41	7.70	-50.98
C[NH+](C)CC1=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)OC2=CC=CC=C21	REAL300003227969	0	49	0.0	-59.52	392.80	8.33	-51.19
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=N1	REAL300003227975	0	50	0.0	-60.57	364.35	7.68	-52.89
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=N1	REAL300003227975	1	50	0.0	-59.31	374.59	7.94	-51.37
CC(C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)[NH+]1CCCCCC1	REAL300003228006	0	49	0.0	-59.07	360.66	7.06	-52.01
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=CC=C1N2	REAL300003228044	1	51	0.0	-73.76	401.96	8.47	-65.29
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=CC=C1N2	REAL300003228044	1	51	0.0	-73.63	402.10	8.45	-65.18
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)O1	REAL300003228100	0	49	0.0	-68.61	386.40	7.53	-61.08
CC(C)(C(=O)[O-])N1C=C(NC(=O)CCCC[NH+]2CCCC2)C=N1	REAL300003228101	0	49	0.0	-66.41	380.32	7.86	-58.55
CC1=CC=C(N2CCC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)CC2)[NH+]=C1	REAL300003228103	1	52	0.0	-62.89	401.60	7.55	-55.34
C[N@H+](CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)CC1=CC=CC=C1	REAL300003228104	1	46	0.0	-68.05	367.25	8.23	-59.82
C[N@@H+](CC(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1)CC1=CC=CC=C1	REAL300003228104	1	46	0.0	-66.37	365.65	8.14	-58.23
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)C=C2)CC1	REAL300003228108	0	58	0.0	-72.41	436.74	8.48	-63.93
C[NH+](C)CC1=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=NO1	REAL300003228159	1	42	0.0	-73.51	348.09	5.58	-67.93
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003228163	0	53	0.0	-67.72	410.28	9.49	-58.23
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003228163	1	53	0.0	-67.58	410.71	9.56	-58.02
CC(C)[N@@H+]1CCCC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003228182	0	46	0.0	-62.81	348.89	6.78	-56.03
CC(C)[N@H+]1CCCC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003228182	1	46	0.0	-59.01	340.32	6.59	-52.42
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=C1	REAL300003228189	0	54	0.0	-72.31	431.47	9.01	-63.30
C[NH+]1CCC(OCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300003228210	0	47	0.0	-71.88	370.55	6.62	-65.26
CC(C)(C(=O)[O-])N1C=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=N1	REAL300003228215	0	50	0.0	-69.39	395.65	8.21	-61.18
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)[C@@H](C(F)(F)F)C1	REAL300003228260	0	52	0.0	-65.97	401.50	7.69	-58.28
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)[C@@H](C(F)(F)F)C1	REAL300003228260	1	52	0.0	-64.41	402.56	7.95	-56.46
CCC[N@@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300003228412	0	49	0.0	-57.81	365.05	7.71	-50.10
CCC[N@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300003228412	1	49	0.0	-63.36	371.27	7.49	-55.87
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003228445	0	49	0.0	-58.78	367.92	7.21	-51.57
CC(C)C[N@H+]1CCCC1C(=O)NC1=CN(C(C)(C)C(=O)[O-])N=C1	REAL300003228445	1	49	0.0	-64.08	374.25	7.76	-56.32
CC(C)(C(=O)[O-])N1C=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=N1	REAL300003228548	0	54	0.0	-69.53	417.71	10.00	-59.53
CC(C)(C(=O)[O-])N1C=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=N1	REAL300003228548	1	54	0.0	-70.55	420.39	10.01	-60.54
CC(C)[N@@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300003228686	0	49	0.0	-61.33	366.43	7.26	-54.07
CC(C)[N@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300003228686	1	49	0.0	-61.59	366.43	7.26	-54.33
C[N@@H+]1CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C(C(F)(F)F)C1	REAL300003228687	0	43	0.0	-74.14	340.76	6.70	-67.44
C[N@H+]1CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C(C(F)(F)F)C1	REAL300003228687	1	43	0.0	-65.55	346.38	6.02	-59.53
CC1=C(C)[NH+]=C(CCC(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)N1	REAL300003228711	1	44	0.0	-61.05	360.83	5.91	-55.14
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)=C1	REAL300003229216	0	49	0.0	-71.17	391.22	8.95	-62.22
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C=C1	REAL300003229224	0	50	0.0	-71.58	396.92	7.83	-63.75
CC(C)(C(=O)[O-])N1C=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=N1	REAL300003229325	0	56	0.0	-65.28	428.70	10.49	-54.79
CC1CN(CC2=CC=C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)C=C2)CCO1	REAL300003229327	0	54	0.0	-73.81	413.06	8.15	-65.66
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)C=C2)CCO1	REAL300003229327	1	54	0.0	-73.92	413.10	8.14	-65.78
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)C=C2)CCO1	REAL300003229327	1	54	0.0	-73.92	413.10	8.14	-65.78
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)CC1	REAL300003229374	0	49	0.0	-62.08	361.90	7.25	-54.83
CC1=[NH+]C=C2C=CC(C(=O)NC3=CN(C(C)(C)C(=O)[O-])N=C3)=CN21	REAL300003229378	0	41	0.0	-60.83	339.13	7.75	-53.08
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300003229442	0	52	0.0	-58.52	383.95	8.46	-50.06
CC(C)C[N@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300003229442	1	52	0.0	-63.87	390.43	8.24	-55.63
CC[N@@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300003229443	0	46	0.0	-57.89	345.00	7.01	-50.88
CC[N@H+]1CCCC(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300003229443	1	46	0.0	-58.31	344.97	7.01	-51.30
C[NH+](C)CC1=CC=C(C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)O1	REAL300003229449	1	43	0.0	-70.48	355.10	6.44	-64.04
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300003229455	0	52	0.0	-69.08	371.37	7.20	-61.88
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CN(C(C)(C)C(=O)[O-])N=C2)C1	REAL300003229455	1	52	0.0	-68.12	379.02	7.65	-60.47
CC(C)(C(=O)[O-])N1C=C(NC(=O)C23CC(C2)CN3C2CC2)C=N1	REAL300003229458	0	45	0.0	-59.30	344.78	7.59	-51.71
CC(C)(C(=O)[O-])N1C=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=N1	REAL300003229458	1	45	0.0	-58.15	347.14	7.26	-50.89
CC(C)(C(=O)[O-])N1C=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=N1	REAL300003229458	1	45	0.0	-59.30	344.78	7.59	-51.71
CCS(=O)(=O)C1(CNC(=O)CN2CCCC(C(=O)[O-])C2)CC1	REAL300003229626	0	46	0.0	-53.63	370.70	4.17	-49.46
CCS(=O)(=O)C1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003229626	1	46	0.0	-49.62	354.62	4.73	-44.89
CCS(=O)(=O)C1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003229626	1	46	0.0	-53.63	370.70	4.17	-49.46
CCC1=NOC(CC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=N1	REAL300003229771	0	54	0.0	-50.10	407.23	8.22	-41.88
CCC1=NOC(CC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=N1	REAL300003229771	1	54	0.0	-47.77	399.77	7.75	-40.02
COC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCC1	REAL300003230076	0	50	0.0	-47.09	363.04	6.85	-40.24
COC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCC1	REAL300003230076	1	50	0.0	-48.05	367.75	6.98	-41.07
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=C3C=COC3=CC=C2)C1	REAL300003230157	0	43	0.0	-50.56	343.94	7.74	-42.82
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=C3C=COC3=CC=C2)C1	REAL300003230157	1	43	0.0	-48.96	337.75	7.72	-41.24
O=C([O-])C1CCC[N@H+](CC(=O)NCC(F)(F)C2=CC=C(F)C=C2)C1	REAL300003230274	1	43	0.0	-47.13	346.40	7.91	-39.22
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(F)(F)C2=CC=C(F)C=C2)C1	REAL300003230274	1	43	0.0	-47.97	348.32	8.35	-39.62
CC1=CC=CC=C1C(F)(F)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003230402	1	46	0.0	-47.05	355.08	8.65	-38.40
CC1=CC=CC=C1C(F)(F)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003230402	1	46	0.0	-49.47	361.28	8.67	-40.80
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=NSC3=CC=CC=C32)C1	REAL300003230527	0	45	0.0	-52.07	360.83	7.74	-44.33
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=NSC3=CC=CC=C32)C1	REAL300003230527	1	45	0.0	-57.12	362.74	8.18	-48.94
COCCOCCOCCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003230660	0	57	0.0	-52.55	443.78	5.55	-47.00
COCCOCCOCCCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003230660	1	57	0.0	-53.28	444.42	5.57	-47.71
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2OC2=CC=C(F)C=C2)C1	REAL300003230786	0	51	0.0	-49.18	410.74	10.32	-38.86
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC=C2OC2=CC=C(F)C=C2)C1	REAL300003230786	1	51	0.0	-49.04	403.69	10.24	-38.80
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003231829	0	50	0.0	-65.34	376.57	10.58	-54.76
CC1=NC(C[NH+]2CCC(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])CC2)=CS1	REAL300003233059	1	49	0.0	-64.04	383.97	8.35	-55.69
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300003233104	0	53	0.0	-67.41	410.47	9.88	-57.53
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300003233109	0	53	0.0	-72.51	411.34	12.50	-60.01
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300003233109	1	53	0.0	-73.96	411.20	12.50	-61.46
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003233220	0	43	0.0	-64.32	345.23	7.74	-56.58
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003233238	0	51	0.0	-65.44	360.64	7.49	-57.95
CC[N@H+](CC1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003233256	0	52	0.0	-64.07	380.13	10.06	-54.01
CC[N@@H+](CC1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003233256	1	52	0.0	-71.31	374.12	10.11	-61.20
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003233271	0	47	0.0	-58.27	359.97	9.82	-48.45
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003233271	1	47	0.0	-55.98	361.05	9.83	-46.15
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003233272	0	48	0.0	-64.35	359.31	9.24	-55.11
O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300003233293	0	51	0.0	-54.02	353.10	6.95	-47.07
CC(C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003233296	0	46	0.0	-43.48	349.40	9.24	-34.24
CC(C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003233296	1	46	0.0	-44.00	349.49	9.05	-34.95
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003233302	0	53	0.0	-53.64	392.93	11.60	-42.04
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003233302	1	53	0.0	-47.08	389.99	11.64	-35.44
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003233337	0	47	0.0	-74.30	357.86	9.77	-64.53
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003233341	0	50	0.0	-70.02	376.16	10.75	-59.27
CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])CC2)CC1	REAL300003233347	0	58	0.0	-63.81	406.36	8.08	-55.73
CC1C[NH+](CC2=CC=C(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300003233353	1	54	0.0	-76.09	402.18	9.60	-66.49
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003233363	1	51	0.0	-65.32	390.50	9.70	-55.62
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003233363	1	51	0.0	-64.53	389.75	9.87	-54.66
CC1=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003233377	1	41	0.0	-76.16	329.50	7.21	-68.95
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003233380	0	50	0.0	-74.69	375.18	10.53	-64.16
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003233390	1	43	0.0	-72.07	339.73	7.54	-64.53
C[NH+](C)CCC1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300003233391	0	46	0.0	-71.91	356.86	9.48	-62.43
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003233394	1	48	0.0	-52.12	369.53	9.37	-42.75
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003233394	1	48	0.0	-40.07	363.46	8.95	-31.12
CC(C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003233402	0	56	0.0	-44.61	414.20	11.69	-32.92
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300003233428	0	46	0.0	-47.79	352.61	9.62	-38.17
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300003233428	1	46	0.0	-49.09	355.13	9.69	-39.40
COCCOCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300003233429	0	50	0.0	-57.39	384.33	6.13	-51.26
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CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])O1	REAL300003233714	0	46	0.0	-66.55	355.44	8.56	-57.99
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CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300003233719	0	55	0.0	-79.49	397.68	8.80	-70.69
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003233726	1	38	0.0	-69.79	315.53	6.61	-63.18
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300003233750	0	50	0.0	-54.62	381.16	10.16	-44.46
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300003233750	1	50	0.0	-56.70	375.58	10.12	-46.58
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300003233765	0	51	0.0	-77.89	397.94	9.62	-68.27
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C[N@H+]1CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300003234011	1	40	0.0	-45.64	310.07	6.70	-38.94
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O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=NOC=C3)CC2)C1	REAL300003234974	1	46	0.0	-52.03	348.63	8.31	-43.72
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(CCC4=CC=CC=C4O3)CC2)C1	REAL300003235094	0	55	0.0	-50.16	400.30	10.91	-39.25
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(CCC4=CC=CC=C4O3)CC2)C1	REAL300003235094	1	55	0.0	-48.93	400.40	10.90	-38.03
O=C([O-])C1CCC[N@H+](CC(=O)N2CC[C@@H](OC3=CC=CC=C3)C2)C1	REAL300003235218	0	48	0.0	-50.39	368.69	9.23	-41.16
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC[C@@H](OC3=CC=CC=C3)C2)C1	REAL300003235218	1	48	0.0	-49.77	368.29	9.20	-40.57
COC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300003235347	1	45	0.0	-55.86	358.75	6.76	-49.10
COC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC(F)F	REAL300003235347	1	45	0.0	-56.46	353.26	6.79	-49.67
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O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC2C2=CC=C(Br)C=C2)C1	REAL300003235904	1	44	0.0	-50.75	356.81	10.43	-40.32
CC1=CC=CC(CC2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)=C1	REAL300003236012	0	50	0.0	-47.59	387.52	11.07	-36.52
CC1=CC=CC(CC2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)=C1	REAL300003236012	1	50	0.0	-47.57	382.05	11.10	-36.47
CCC(CC1=CC=C(Br)C=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003236121	0	49	0.0	-49.95	390.84	10.42	-39.53
CCC(CC1=CC=C(Br)C=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003236121	1	49	0.0	-48.52	385.51	10.44	-38.08
COC1=CC=CC(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2)=C1	REAL300003236221	0	51	0.0	-50.83	377.34	8.69	-42.14
COC1=CC=CC(C2(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2)=C1	REAL300003236221	1	51	0.0	-45.88	376.10	8.17	-37.71
CC1=CC=CC(C2C(=O)NCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003236331	0	51	0.0	-59.85	380.64	7.67	-52.18
CC1=CC=CC(C2C(=O)NCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003236331	1	51	0.0	-58.35	386.81	7.69	-50.66
CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003237378	0	50	0.0	-74.53	371.03	10.64	-63.89
CC1=NC(C[NH+]2CCC(C(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)=CS1	REAL300003238608	1	49	0.0	-73.20	380.64	8.41	-64.79
CN(C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238653	0	53	0.0	-73.06	409.41	10.44	-62.62
CN(C(=O)C1=CC(C[N@H+](C)CC2=CC=CC=C2)=CC=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238658	0	53	0.0	-75.84	406.31	12.38	-63.46
CN(C(=O)C1=CC(C[N@@H+](C)CC2=CC=CC=C2)=CC=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238658	1	53	0.0	-75.62	407.66	12.40	-63.22
CN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238769	0	43	0.0	-73.09	342.97	7.95	-65.14
CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238787	0	51	0.0	-66.31	356.75	7.55	-58.76
CC[N@H+](CC1=CC=C(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1)C(C)C	REAL300003238805	0	52	0.0	-72.59	379.34	10.43	-62.16
CC[N@@H+](CC1=CC=C(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1)C(C)C	REAL300003238805	1	52	0.0	-72.05	368.41	9.87	-62.18
CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238820	0	47	0.0	-69.46	356.87	10.01	-59.45
CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238820	1	47	0.0	-69.95	357.49	10.04	-59.91
CN(C(=O)C1CC[NH+](C2CCSC2)CC1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238821	0	48	0.0	-77.12	355.96	9.27	-67.85
CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238842	0	51	0.0	-68.69	352.06	7.53	-61.16
CC(C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300003238845	0	46	0.0	-64.79	348.02	9.59	-55.20
CC(C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003238845	1	46	0.0	-64.99	347.38	9.58	-55.41
CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238851	0	53	0.0	-72.07	393.57	11.46	-60.61
CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238851	1	53	0.0	-64.57	387.42	11.63	-52.94
CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238886	0	47	0.0	-75.27	354.68	9.84	-65.43
CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238890	0	50	0.0	-70.95	373.25	10.66	-60.29
CCC(C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)[N@@H+]1CCOC(CC)C1	REAL300003238893	1	50	0.0	-62.69	355.62	7.75	-54.94
CCC(C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)[N@H+]1CCOC(CC)C1	REAL300003238893	1	50	0.0	-62.67	349.53	7.48	-55.19
CCN1CCC([NH+]2CCC(C(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)CC1	REAL300003238896	0	58	0.0	-71.81	405.54	8.34	-63.47
CC1C[NH+](CC2=CC=C(C(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC(C)O1	REAL300003238902	1	54	0.0	-77.84	403.43	9.54	-68.30
CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238912	1	51	0.0	-76.49	389.95	10.21	-66.28
CN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238912	1	51	0.0	-75.63	378.74	9.72	-65.91
CC1=C(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300003238926	1	41	0.0	-76.53	327.58	7.18	-69.35
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238929	0	50	0.0	-75.95	372.30	10.62	-65.33
CN(C(=O)C1=NOC(C[NH+]2CCCC2)=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238939	1	43	0.0	-75.69	337.02	8.16	-67.53
CN(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238940	0	46	0.0	-77.94	351.53	9.52	-68.42
CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238943	1	48	0.0	-74.41	364.59	9.47	-64.94
CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238943	1	48	0.0	-70.56	358.12	9.31	-61.25
CC(C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003238951	0	56	0.0	-66.48	400.71	11.78	-54.70
CN(C(=O)C[N@H+](C)CCC1=CC=CC=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238977	0	46	0.0	-69.29	353.91	10.10	-59.19
CN(C(=O)C[N@@H+](C)CCC1=CC=CC=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238977	1	46	0.0	-69.13	354.33	10.10	-59.03
COCCOCC[N@H+](C)CCC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238978	0	50	0.0	-69.48	383.81	6.31	-63.17
COCCOCC[N@@H+](C)CCC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238978	1	50	0.0	-70.61	383.86	6.31	-64.30
CN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003238984	0	55	0.0	-74.62	409.05	9.84	-64.78
CC(C)[NH+]1CCN(CCC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300003239008	0	51	0.0	-68.27	366.72	6.63	-61.64
CC(C)N1CC[NH+](CCC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300003239008	1	51	0.0	-69.13	367.53	6.66	-62.47
CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300003239009	0	54	0.0	-67.63	392.53	7.67	-59.96
CC(C)N1CC[NH+](CCCC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1	REAL300003239009	1	54	0.0	-70.17	388.92	7.48	-62.69
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)=C1	REAL300003239013	0	55	0.0	-73.42	409.87	9.69	-63.73
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239014	0	52	0.0	-73.18	387.55	9.00	-64.18
CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239017	0	49	0.0	-72.26	368.72	8.89	-63.37
CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239017	1	49	0.0	-72.14	368.02	8.90	-63.24
CC(C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003239021	0	47	0.0	-64.13	350.11	9.98	-54.15
CC(C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003239021	1	47	0.0	-64.78	352.01	9.93	-54.85
CC(C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300003239023	1	52	0.0	-70.10	387.92	8.78	-61.32
CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239037	0	50	0.0	-73.87	380.70	10.92	-62.95
CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239037	1	50	0.0	-73.57	380.05	10.90	-62.67
CN(C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239047	1	44	0.0	-75.89	339.22	7.02	-68.87
CN(C(=O)C1=NNC(C2CCC[N@H+]2C)=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239047	1	44	0.0	-76.24	338.65	7.04	-69.20
CN(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239054	0	50	0.0	-72.38	373.38	10.87	-61.51
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239054	1	50	0.0	-68.86	372.98	10.93	-57.93
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239056	0	51	0.0	-73.21	386.23	8.44	-64.77
CN(C(=O)C1CC[N@@H+](C2CCCCC2)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239077	0	50	0.0	-67.41	357.74	9.44	-57.97
CN(C(=O)C1CC[N@H+](C2CCCCC2)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239077	1	50	0.0	-68.17	357.01	9.41	-58.76
CN(C(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239093	0	52	0.0	-73.81	388.29	8.19	-65.62
CN(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239094	0	52	0.0	-73.95	390.62	8.24	-65.71
CN(C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239094	1	52	0.0	-76.37	387.24	7.98	-68.39
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300003239095	0	53	0.0	-73.49	393.17	9.75	-63.74
CN(C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239145	0	54	0.0	-79.83	403.70	7.90	-71.93
CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239147	0	50	0.0	-67.96	371.12	10.60	-57.36
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239147	1	50	0.0	-69.62	373.78	10.62	-59.00
CN(C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239225	1	48	0.0	-76.66	366.98	9.23	-67.43
CN(C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239225	1	48	0.0	-76.66	364.21	9.07	-67.59
CC[NH+](CC)CC1=CC=C(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)O1	REAL300003239263	0	46	0.0	-70.60	348.92	8.68	-61.92
CC1=CC=C(N2CCC(C(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)[NH+]=C1	REAL300003239265	1	49	0.0	-66.84	364.50	8.30	-58.54
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CC1	REAL300003239268	0	55	0.0	-74.89	397.63	9.16	-65.73
CN(C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239275	1	38	0.0	-75.81	309.95	6.75	-69.06
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239299	0	50	0.0	-69.13	376.47	10.83	-58.30
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239299	1	50	0.0	-69.12	380.83	10.69	-58.43
CN(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239314	0	51	0.0	-75.87	397.34	10.16	-65.71
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239326	0	47	0.0	-72.34	358.94	9.47	-62.87
CN(C(=O)C1C[N@H+](C)CC1C(F)(F)F)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239560	0	40	0.0	-74.06	303.37	7.42	-66.64
CN(C(=O)C1C[N@@H+](C)CC1C(F)(F)F)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239560	1	40	0.0	-76.83	305.76	7.32	-69.51
CN(C(=O)C1=CC(CC[NH+](C)C)=CC=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239836	0	46	0.0	-75.57	354.19	9.65	-65.92
CN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239839	0	47	0.0	-75.08	359.41	8.56	-66.52
CN(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300003239897	0	53	0.0	-71.39	394.88	11.65	-59.74
CC1C[N@H+](CC2=CC=C(C(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CCO1	REAL300003239899	1	51	0.0	-77.87	379.06	8.98	-68.89
CC1C[N@@H+](CC2=CC=C(C(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)CCO1	REAL300003239899	1	51	0.0	-78.00	379.05	8.98	-69.02
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCC1SCCS1	REAL300003240010	0	42	0.0	-46.23	335.52	7.04	-39.19
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCC1SCCS1	REAL300003240010	1	42	0.0	-48.99	337.57	7.49	-41.50
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300003240141	0	52	0.0	-46.92	367.43	8.90	-38.02
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300003240141	1	52	0.0	-44.27	366.28	8.46	-35.81
COC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300003240241	0	53	0.0	-46.69	382.57	7.55	-39.14
COC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300003240241	1	53	0.0	-47.98	386.96	7.58	-40.40
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(F)=CC=C2OC(F)F)C1	REAL300003240364	0	44	0.0	-51.40	361.83	7.12	-44.28
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(F)=CC=C2OC(F)F)C1	REAL300003240364	1	44	0.0	-48.82	355.09	7.08	-41.74
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=NC=CN=C3C2)C1	REAL300003240477	0	42	0.0	-51.09	323.08	5.98	-45.11
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=NC=CN=C3C2)C1	REAL300003240477	1	42	0.0	-47.96	316.92	6.00	-41.96
O=C([O-])C12CC(C1)CN2C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003241575	0	48	0.0	-88.04	364.60	11.37	-76.67
CC1=NC(C[NH+]2CCC(C(=O)N3CC4CC3(C(=O)[O-])C4)CC2)=CS1	REAL300003242769	1	47	0.0	-83.97	371.89	9.45	-74.52
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300003242812	0	51	0.0	-90.19	397.03	11.11	-79.08
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300003242817	0	51	0.0	-85.86	390.74	12.96	-72.90
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300003242817	1	51	0.0	-85.97	390.79	12.96	-73.01
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003242919	0	41	0.0	-98.95	325.88	8.49	-90.46
O=C([O-])C12CC(C1)CN2C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003242937	0	49	0.0	-90.03	355.59	8.46	-81.57
CC[N@H+](CC1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])C3)C=C1)C(C)C	REAL300003242953	0	50	0.0	-91.90	361.55	10.92	-80.98
CC[N@@H+](CC1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])C3)C=C1)C(C)C	REAL300003242953	1	50	0.0	-91.91	353.54	10.55	-81.36
O=C([O-])C12CC(C1)CN2C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003242968	0	45	0.0	-76.71	343.00	10.54	-66.17
O=C([O-])C12CC(C1)CN2C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003242968	1	45	0.0	-77.37	345.59	10.65	-66.72
O=C([O-])C12CC(C1)CN2C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003242969	0	46	0.0	-86.83	343.39	9.83	-77.00
O=C([O-])C12CC(C1)CN2C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003242990	0	49	0.0	-78.20	340.12	7.92	-70.28
CC(C(=O)N1CC2CC1(C(=O)[O-])C2)[N@H+](C)CC1=CC=CC=C1	REAL300003242992	0	44	0.0	-73.37	338.00	10.23	-63.14
CC(C(=O)N1CC2CC1(C(=O)[O-])C2)[N@@H+](C)CC1=CC=CC=C1	REAL300003242992	1	44	0.0	-73.23	338.07	10.19	-63.04
O=C([O-])C12CC(C1)CN2C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003242998	0	51	0.0	-65.39	377.57	12.27	-53.12
O=C([O-])C12CC(C1)CN2C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003242998	1	51	0.0	-86.52	387.45	12.30	-74.22
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003243033	0	45	0.0	-97.75	340.98	10.50	-87.25
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003243037	0	48	0.0	-82.46	355.64	11.21	-71.25
CCN1CCC([NH+]2CCC(C(=O)N3CC4CC3(C(=O)[O-])C4)CC2)CC1	REAL300003243043	0	56	0.0	-84.20	398.63	9.14	-75.06
CC1C[NH+](CC2=CC=C(C(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)CC(C)O1	REAL300003243049	1	52	0.0	-100.86	391.04	10.24	-90.62
O=C([O-])C12CC(C1)CN2C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003243059	1	49	0.0	-86.18	375.39	10.53	-75.65
O=C([O-])C12CC(C1)CN2C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003243059	1	49	0.0	-92.02	370.70	10.51	-81.51
CC1=C(C(=O)N2CC3CC2(C(=O)[O-])C3)C=NN1C1=CC=[NH+]C=C1	REAL300003243073	1	39	0.0	-89.83	312.25	7.73	-82.10
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003243076	0	48	0.0	-97.85	357.73	11.21	-86.64
O=C([O-])C12CC(C1)CN2C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003243085	1	41	0.0	-85.49	324.99	8.54	-76.95
C[NH+](C)CCC1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300003243086	0	44	0.0	-101.10	338.66	10.20	-90.90
CC(C(=O)N1CC2CC1(C(=O)[O-])C2)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003243097	0	54	0.0	-73.03	392.05	12.27	-60.76
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300003243121	0	44	0.0	-71.25	342.16	10.67	-60.58
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300003243121	1	44	0.0	-69.88	340.97	10.66	-59.22
COCCOCC[N@H+](C)CCC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300003243122	0	48	0.0	-73.87	369.05	6.97	-66.90
COCCOCC[N@@H+](C)CCC(=O)N1CC2CC1(C(=O)[O-])C2	REAL300003243122	1	48	0.0	-79.44	372.40	6.90	-72.54
O=C([O-])C12CC(C1)CN2C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003243128	0	53	0.0	-82.43	396.13	10.47	-71.96
CC(C)[NH+]1CCN(CCC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300003243150	0	49	0.0	-82.19	358.40	7.53	-74.66
CC(C)N1CC[NH+](CCC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300003243150	1	49	0.0	-76.42	357.77	7.50	-68.92
CC(C)[NH+]1CCN(CCCC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300003243151	0	52	0.0	-80.09	374.79	7.96	-72.13
CC(C)N1CC[NH+](CCCC(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300003243151	1	52	0.0	-78.26	375.18	8.11	-70.15
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC4CC3(C(=O)[O-])C4)CC2)=C1	REAL300003243155	0	53	0.0	-79.87	397.23	10.35	-69.52
O=C([O-])C12CC(C1)CN2C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003243156	0	50	0.0	-79.86	375.82	9.69	-70.17
O=C([O-])C12CC(C1)CN2C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003243159	0	47	0.0	-79.18	359.70	9.63	-69.55
O=C([O-])C12CC(C1)CN2C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003243159	1	47	0.0	-69.47	349.81	9.55	-59.92
CC(C(=O)N1CC2CC1(C(=O)[O-])C2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003243163	1	45	0.0	-71.35	340.30	10.66	-60.69
CC(C(=O)N1CC2CC1(C(=O)[O-])C2)[N@H+]1CCC2=CC=CC=C2C1	REAL300003243163	1	45	0.0	-72.10	342.35	10.58	-61.52
O=C([O-])C12CC(C1)CN2C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003243179	0	48	0.0	-84.29	369.30	11.54	-72.75
O=C([O-])C12CC(C1)CN2C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003243179	1	48	0.0	-83.18	366.18	11.44	-71.74
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3CC2(C(=O)[O-])C3)=NN1	REAL300003243189	1	42	0.0	-91.21	327.76	7.46	-83.75
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3CC2(C(=O)[O-])C3)=NN1	REAL300003243189	1	42	0.0	-90.28	327.16	7.51	-82.77
O=C([O-])C12CC(C1)CN2C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003243196	0	48	0.0	-84.99	371.33	11.48	-73.51
O=C([O-])C12CC(C1)CN2C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003243196	1	48	0.0	-65.72	357.84	11.39	-54.33
O=C([O-])C12CC(C1)CN2C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003243198	0	49	0.0	-78.82	373.58	9.11	-69.71
O=C([O-])C12CC(C1)CN2C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003243219	0	48	0.0	-77.15	345.81	10.09	-67.06
O=C([O-])C12CC(C1)CN2C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003243219	1	48	0.0	-80.66	347.51	9.81	-70.85
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC4CC3(C(=O)[O-])C4)=C2)CC1	REAL300003243234	0	50	0.0	-82.44	372.75	8.78	-73.66
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)CC1	REAL300003243235	0	50	0.0	-97.31	373.91	8.59	-88.72
CN1CC[NH+](CC2=CC=C(C(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)CC1	REAL300003243235	1	50	0.0	-98.84	374.25	8.66	-90.18
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300003243236	0	51	0.0	-96.56	380.78	10.50	-86.06
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003243278	0	52	0.0	-102.38	389.42	8.51	-93.87
O=C([O-])C12CC(C1)CN2C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003243280	0	48	0.0	-79.98	365.69	11.35	-68.63
O=C([O-])C12CC(C1)CN2C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003243280	1	48	0.0	-66.15	351.50	11.36	-54.79
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4CC3(C(=O)[O-])C4)=CC=C1N2	REAL300003243355	1	46	0.0	-105.26	348.58	9.78	-95.48
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4CC3(C(=O)[O-])C4)=CC=C1N2	REAL300003243355	1	46	0.0	-104.34	348.90	9.78	-94.56
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])C3)O1	REAL300003243392	0	44	0.0	-90.55	340.47	9.52	-81.03
CC1=CC=C(N2CCC(C(=O)N3CC4CC3(C(=O)[O-])C4)CC2)[NH+]=C1	REAL300003243394	1	47	0.0	-84.42	357.66	9.28	-75.14
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)CC1	REAL300003243397	0	53	0.0	-95.89	381.86	9.72	-86.17
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2CC1(C(=O)[O-])C2	REAL300003243427	0	48	0.0	-76.32	361.98	11.47	-64.85
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2CC1(C(=O)[O-])C2	REAL300003243427	1	48	0.0	-86.76	365.42	11.20	-75.56
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300003243442	0	49	0.0	-96.24	384.86	10.79	-85.45
O=C([O-])C12CC(C1)CN2C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003243453	0	45	0.0	-89.10	343.86	9.91	-79.19
C[N@@H+]1CC(C(=O)N2CC3CC2(C(=O)[O-])C3)C(C(F)(F)F)C1	REAL300003243677	0	38	0.0	-85.83	304.91	7.92	-77.91
C[N@H+]1CC(C(=O)N2CC3CC2(C(=O)[O-])C3)C(C(F)(F)F)C1	REAL300003243677	1	38	0.0	-79.24	296.34	7.52	-71.72
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300003243939	0	44	0.0	-86.50	336.57	10.19	-76.31
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300003243942	0	45	0.0	-96.11	343.65	9.14	-86.97
O=C([O-])C12CC(C1)CN2C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003243999	0	51	0.0	-80.70	382.75	12.20	-68.50
CC1C[N@H+](CC2=CC=C(C(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)CCO1	REAL300003244001	1	49	0.0	-100.12	363.91	9.51	-90.61
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)CCO1	REAL300003244001	1	49	0.0	-97.24	361.48	9.53	-87.71
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCC(C2CCC2)CC1	REAL300003244121	0	53	0.0	-43.80	374.93	9.65	-34.15
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCC(C2CCC2)CC1	REAL300003244121	1	53	0.0	-46.51	382.34	10.11	-36.40
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC3C4=CC=CC=C4CCC23)C1	REAL300003244239	0	51	0.0	-49.20	372.38	10.52	-38.68
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CC3C4=CC=CC=C4CCC23)C1	REAL300003244239	1	51	0.0	-46.71	371.60	10.09	-36.62
COC1=CC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2C=C1OC	REAL300003244436	0	51	0.0	-55.12	394.49	8.80	-46.32
COC1=CC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2C=C1OC	REAL300003244436	1	51	0.0	-54.70	389.32	8.82	-45.88
CC(CC1=CC=CC=C1)N(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003244618	0	59	0.0	-47.16	433.86	14.30	-32.86
CC(CC1=CC=CC=C1)N(CC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003244618	1	59	0.0	-48.02	437.04	14.43	-33.59
COC1=CC=C(F)C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003244768	0	44	0.0	-47.12	345.67	6.70	-40.42
COC1=CC=C(F)C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003244768	1	44	0.0	-48.78	351.87	6.72	-42.06
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(C(F)(F)F)C=C3)CCC2)C1	REAL300003244874	0	50	0.0	-52.05	393.24	10.22	-41.83
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C(C(F)(F)F)C=C3)CCC2)C1	REAL300003244874	1	50	0.0	-51.23	392.69	10.32	-40.91
O=C([O-])C1CCC[N@H+](CC(=O)NC2C3CC4=CC(F)=CC=C4C32)C1	REAL300003245179	0	45	0.0	-48.79	352.65	9.66	-39.13
O=C([O-])C1CCC[N@@H+](CC(=O)NC2C3CC4=CC(F)=CC=C4C32)C1	REAL300003245179	1	45	0.0	-46.75	345.93	9.23	-37.52
CCCCCC1CCCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003245311	0	55	0.0	-45.71	385.68	11.05	-34.66
CCCCCC1CCCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003245311	1	55	0.0	-45.75	392.02	11.07	-34.68
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2CC2CCC2)C1	REAL300003245404	0	53	0.0	-45.83	375.01	10.80	-35.03
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2CC2CCC2)C1	REAL300003245404	1	53	0.0	-44.28	367.10	10.80	-33.48
CC1(CC2=CC=CC3=CC=CC=C32)CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003245534	0	59	0.0	-48.71	418.83	13.37	-35.34
CC1(CC2=CC=CC3=CC=CC=C32)CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003245534	1	59	0.0	-45.43	417.36	12.92	-32.51
O=C([O-])C1CCC[N@H+](CC(=O)N(CCC2CC2)CC2CC2)C1	REAL300003245603	0	50	0.0	-44.14	368.87	11.15	-32.99
O=C([O-])C1CCC[N@@H+](CC(=O)N(CCC2CC2)CC2CC2)C1	REAL300003245603	1	50	0.0	-43.19	374.37	10.90	-32.29
CC(C)C[C@H]1COCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003245669	0	50	0.0	-47.30	356.97	7.60	-39.70
CC(C)C[C@H]1COCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003245669	1	50	0.0	-44.62	347.01	7.19	-37.43
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC3=C2COCC3)C1	REAL300003245753	0	45	0.0	-50.67	334.99	7.60	-43.07
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC3=C2COCC3)C1	REAL300003245753	1	45	0.0	-48.58	333.49	7.12	-41.46
CC1=CC=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2=C1Br	REAL300003245870	0	44	0.0	-46.67	351.56	9.65	-37.02
CC1=CC=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2=C1Br	REAL300003245870	1	44	0.0	-46.20	350.36	9.62	-36.58
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(F)C=C3)CCC2)C1	REAL300003245979	0	47	0.0	-47.63	353.53	8.83	-38.80
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C(F)C=C3)CCC2)C1	REAL300003245979	1	47	0.0	-50.82	360.36	9.38	-41.44
CCCCCCC(CC)CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003246093	0	60	0.0	-46.08	427.02	12.12	-33.96
CCCCCCC(CC)CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003246093	1	60	0.0	-46.63	434.18	12.26	-34.37
CC1=CC=CC2=C1CCCC2NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003246215	0	50	0.0	-48.56	366.39	9.65	-38.91
CC1=CC=CC2=C1CCCC2NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003246215	1	50	0.0	-49.40	361.45	9.66	-39.74
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C3CCCCC3)C2)C1	REAL300003246336	0	56	0.0	-42.64	384.88	10.64	-32.00
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C3CCCCC3)C2)C1	REAL300003246336	1	56	0.0	-45.76	391.53	11.09	-34.67
CC1(C(=O)[O-])CCCC1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003247697	0	53	0.0	-80.76	393.57	10.81	-69.95
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300003248478	0	50	0.0	-43.28	371.32	9.60	-33.68
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300003248478	1	50	0.0	-39.06	370.58	9.88	-29.18
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300003249274	1	50	0.0	-45.64	395.13	11.06	-34.58
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300003249274	1	50	0.0	-41.55	387.73	10.15	-31.40
CC1=[NH+]C=C2CCC(C(=O)NC3CCCC3(C)C(=O)[O-])CN21	REAL300003249362	1	45	0.0	-50.55	340.97	8.69	-41.86
CC1(C(=O)[O-])CCCC1NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300003249363	0	53	0.0	-70.60	395.52	10.63	-59.97
CC1=NC(C[NH+]2CCC(C(=O)NC3CCCC3(C)C(=O)[O-])CC2)=CS1	REAL300003249428	1	52	0.0	-75.81	400.58	8.83	-66.98
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2CCCC2(C)C(=O)[O-])C=C1	REAL300003249503	0	56	0.0	-70.20	427.36	10.66	-59.54
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CCCC2(C)C(=O)[O-])=C1	REAL300003249517	0	56	0.0	-82.01	427.41	12.59	-69.42
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2CCCC2(C)C(=O)[O-])=C1	REAL300003249517	1	56	0.0	-81.28	427.37	12.61	-68.67
CC1(C(=O)[O-])CCCC1NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003249518	0	56	0.0	-63.32	407.65	11.58	-51.74
CC1(C(=O)[O-])CCCC1NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003249561	0	53	0.0	-64.64	408.46	11.09	-53.55
CC1(C(=O)[O-])CCCC1NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003249561	1	53	0.0	-44.49	406.52	11.32	-33.17
C[NH+](C)CC1(C(=O)NC2CCCC2(C)C(=O)[O-])CCCCC1	REAL300003249601	0	52	0.0	-81.73	352.62	9.05	-72.68
C[N@H+](CCC(=O)NC1CCCC1(C)C(=O)[O-])C1CCCCC1	REAL300003249604	0	52	0.0	-73.06	371.00	9.12	-63.94
C[N@@H+](CCC(=O)NC1CCCC1(C)C(=O)[O-])C1CCCCC1	REAL300003249604	1	52	0.0	-72.45	370.96	9.13	-63.32
CC1(C(=O)[O-])CCCC1NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300003249628	1	53	0.0	-41.68	398.62	10.73	-30.95
CC1(C(=O)[O-])CCCC1NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300003249628	1	53	0.0	-49.11	388.81	10.67	-38.44
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300003249629	1	50	0.0	-46.31	384.81	10.61	-35.70
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300003249629	1	50	0.0	-42.31	377.41	9.70	-32.61
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003249684	0	46	0.0	-83.52	361.90	8.19	-75.33
C[NH+](C)CCN1N=CC(C(=O)NC2CCCC2(C)C(=O)[O-])=C1C1=CC=CC=C1	REAL300003249689	0	56	0.0	-69.50	431.10	10.32	-59.18
CC1(C(=O)[O-])CCCC1NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300003249715	0	53	0.0	-42.23	369.92	9.49	-32.74
CC1(C(=O)[O-])CCCC1NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300003249715	1	53	0.0	-46.51	371.18	9.67	-36.84
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003249716	0	54	0.0	-81.73	384.22	7.84	-73.89
CC1(C(=O)[O-])CCCC1NC(=O)CCCC[NH+]1CCOCC1	REAL300003249744	1	50	0.0	-63.54	371.40	7.43	-56.11
CC[N@H+](CC1=CC=C(C(=O)NC2CCCC2(C)C(=O)[O-])C=C1)C(C)C	REAL300003249745	0	55	0.0	-62.65	399.53	10.62	-52.03
CC[N@@H+](CC1=CC=C(C(=O)NC2CCCC2(C)C(=O)[O-])C=C1)C(C)C	REAL300003249745	1	55	0.0	-63.13	391.15	10.18	-52.95
CC1(C(=O)[O-])CCCC1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003249769	0	50	0.0	-55.56	378.47	10.42	-45.14
CC1(C(=O)[O-])CCCC1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003249769	1	50	0.0	-73.21	378.17	10.08	-63.13
CC1(C(=O)[O-])CCCC1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003249770	0	51	0.0	-80.41	371.85	9.15	-71.26
C[NH+]1CCN(C(C(=O)NC2CCCC2(C)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300003249792	1	55	0.0	-73.17	405.89	8.83	-64.34
CC1(C(=O)[O-])CCCC1NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003249793	0	54	0.0	-55.00	370.55	7.68	-47.32
CC(C(=O)NC1CCCC1(C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003249796	0	49	0.0	-46.29	368.55	9.50	-36.79
CC(C(=O)NC1CCCC1(C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003249796	1	49	0.0	-46.21	368.33	9.50	-36.71
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003249806	0	56	0.0	-75.55	416.11	11.63	-63.92
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003249806	1	56	0.0	-58.32	417.67	12.03	-46.29
C[NH+](C)CC1=CC=C(C(=O)NC2CCCC2(C)C(=O)[O-])C=N1	REAL300003249837	0	45	0.0	-79.93	346.48	7.53	-72.40
CCC[NH+](CCC)CCCC(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003249849	0	54	0.0	-55.26	395.68	9.73	-45.53
CC1(C(=O)[O-])CCCC1NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300003249850	1	54	0.0	-61.30	400.66	7.47	-53.83
CC[N@H+](C)C(C(=O)NC1CCCC1(C)C(=O)[O-])C1=CC=CC=C1	REAL300003249851	0	49	0.0	-44.64	366.61	9.74	-34.90
CC[N@@H+](C)C(C(=O)NC1CCCC1(C)C(=O)[O-])C1=CC=CC=C1	REAL300003249851	1	49	0.0	-40.65	365.95	9.66	-30.99
CC[NH+](CC)C(C(=O)NC1CCCC1(C)C(=O)[O-])C1=CC=CC=C1	REAL300003249856	0	52	0.0	-40.04	370.39	9.87	-30.17
C[NH+](C)C(C(=O)NC1CCCC1(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300003249862	1	46	0.0	-48.55	365.21	9.96	-38.59
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003249876	0	50	0.0	-83.45	375.42	10.20	-73.25
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003249883	0	53	0.0	-77.07	392.27	10.86	-66.21
CCN1CCC([NH+]2CCC(C(=O)NC3CCCC3(C)C(=O)[O-])CC2)CC1	REAL300003249889	0	61	0.0	-76.42	427.32	8.52	-67.90
CC1C[NH+](CC2=CC=C(C(=O)NC3CCCC3(C)C(=O)[O-])C=C2)CC(C)O1	REAL300003249896	1	57	0.0	-68.93	426.51	9.89	-59.04
CC1(C(=O)[O-])CCCC1NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003249905	1	54	0.0	-62.86	400.69	10.31	-52.55
CC1(C(=O)[O-])CCCC1NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003249905	1	54	0.0	-80.36	407.08	10.08	-70.28
CC1(C(=O)[O-])CCCC1NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300003249919	0	53	0.0	-41.88	382.80	10.50	-31.38
CC1(C(=O)[O-])CCCC1NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300003249919	1	53	0.0	-62.80	391.09	10.71	-52.09
CC1=C(C(=O)NC2CCCC2(C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003249921	1	44	0.0	-72.07	348.11	7.83	-64.24
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003249929	0	53	0.0	-66.46	393.18	10.87	-55.59
CC1(C(=O)[O-])CCCC1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003249941	1	46	0.0	-78.94	357.07	7.69	-71.25
C[NH+](C)CCC1=CC=C(C(=O)NC2CCCC2(C)C(=O)[O-])C=C1	REAL300003249942	0	49	0.0	-71.02	374.12	9.85	-61.17
CC1(C(=O)[O-])CCCC1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003249950	1	51	0.0	-36.41	380.24	9.68	-26.73
CC1(C(=O)[O-])CCCC1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003249950	1	51	0.0	-61.73	379.75	9.54	-52.19
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003249956	0	60	0.0	-67.87	436.65	12.38	-55.49
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003249956	1	60	0.0	-60.47	430.93	12.34	-48.13
CC(C(=O)NC1CCCC1(C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003249964	0	59	0.0	-64.63	430.77	12.00	-52.63
CC(C(=O)NC1CCCC1(C)C(=O)[O-])[NH+]1CCSCC1	REAL300003249994	1	44	0.0	-43.19	332.68	7.84	-35.35
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003250001	0	49	0.0	-48.87	372.62	9.96	-38.91
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003250001	1	49	0.0	-48.20	372.33	10.28	-37.92
COCCOCC[N@H+](C)CCC(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003250002	0	53	0.0	-72.90	400.75	6.14	-66.76
COCCOCC[N@@H+](C)CCC(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003250002	1	53	0.0	-73.03	400.73	6.15	-66.88
CC1(C(=O)[O-])CCCC1NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003250012	0	58	0.0	-61.07	426.93	9.94	-51.13
CC1(C(=O)[O-])CCCC1NC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300003250013	1	52	0.0	-44.07	377.77	9.19	-34.88
CC1(C(=O)[O-])CCCC1NC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300003250013	1	52	0.0	-48.47	387.30	8.99	-39.48
C[N@H+](CC(=O)NC1CCCC1(C)C(=O)[O-])C1CCSC1	REAL300003250038	0	44	0.0	-48.23	332.54	8.09	-40.14
C[N@@H+](CC(=O)NC1CCCC1(C)C(=O)[O-])C1CCSC1	REAL300003250038	1	44	0.0	-72.25	331.80	7.79	-64.46
CC(C)[NH+]1CCN(CCC(=O)NC2CCCC2(C)C(=O)[O-])CC1	REAL300003250049	0	54	0.0	-75.19	387.82	6.74	-68.45
CC(C)N1CC[NH+](CCC(=O)NC2CCCC2(C)C(=O)[O-])CC1	REAL300003250049	1	54	0.0	-72.27	387.30	6.68	-65.59
CC(C)[NH+]1CCN(CCCC(=O)NC2CCCC2(C)C(=O)[O-])CC1	REAL300003250050	0	57	0.0	-73.94	409.41	7.51	-66.43
CC(C)N1CC[NH+](CCCC(=O)NC2CCCC2(C)C(=O)[O-])CC1	REAL300003250050	1	57	0.0	-56.72	406.48	7.61	-49.11
C[NH+](C)CCN1C=C(C(=O)NC2CCCC2(C)C(=O)[O-])C=N1	REAL300003250052	0	46	0.0	-82.18	357.48	7.08	-75.10
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3CCCC3(C)C(=O)[O-])CC2)=C1	REAL300003250057	0	58	0.0	-76.89	427.38	9.58	-67.31
CC1(C(=O)[O-])CCCC1NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003250059	0	55	0.0	-76.27	405.36	8.87	-67.40
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003250063	0	52	0.0	-69.46	382.32	9.07	-60.39
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003250063	1	52	0.0	-53.78	383.25	9.22	-44.56
CC(C(=O)NC1CCCC1(C)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003250068	1	50	0.0	-47.85	372.33	10.20	-37.65
CC(C(=O)NC1CCCC1(C)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003250068	1	50	0.0	-43.24	368.94	10.03	-33.21
CC1(C(=O)[O-])CCCC1NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003250096	0	53	0.0	-78.69	398.15	10.80	-67.89
CC1(C(=O)[O-])CCCC1NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003250096	1	53	0.0	-60.95	398.45	11.08	-49.87
C[NH+](C)CCN1C=CC(C(=O)NC2CCCC2(C)C(=O)[O-])=N1	REAL300003250108	0	46	0.0	-75.09	358.65	7.48	-67.61
C[NH+](C)CCN1N=CC=C1C(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003250109	0	46	0.0	-62.86	352.54	7.12	-55.74
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003250114	1	47	0.0	-66.26	358.51	8.74	-57.52
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003250128	0	53	0.0	-75.16	399.99	10.80	-64.36
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003250128	1	53	0.0	-73.48	400.05	10.78	-62.70
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300003250129	1	49	0.0	-37.28	368.22	8.21	-29.07
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300003250129	1	49	0.0	-70.29	372.00	8.40	-61.89
CC1(C(=O)[O-])CCCC1NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003250133	0	54	0.0	-75.53	403.11	8.28	-67.25
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2CCCC2(C)C(=O)[O-])CC1	REAL300003250178	1	53	0.0	-81.49	394.73	9.25	-72.24
CC1(C(=O)[O-])CCCC1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003250179	0	53	0.0	-48.39	379.12	9.86	-38.53
CC1(C(=O)[O-])CCCC1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003250179	1	53	0.0	-48.52	377.96	9.82	-38.70
CC1(C(=O)[O-])CCCC1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300003250199	0	58	0.0	-60.62	427.68	9.94	-50.68
CC1(C(=O)[O-])CCCC1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300003250199	1	58	0.0	-62.30	427.15	9.65	-52.65
CC(C)(C[NH+]1CCOCC1)C(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003250206	0	50	0.0	-71.85	356.77	6.81	-65.04
CC(C)[N@@H+]1CCC(C(=O)NC2CCCC2(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003250209	0	59	0.0	-60.73	424.64	9.00	-51.73
CC(C)[N@H+]1CCC(C(=O)NC2CCCC2(C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003250209	1	59	0.0	-56.38	416.22	8.76	-47.62
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2CCCC2(C)C(=O)[O-])C=N1	REAL300003250210	0	53	0.0	-65.20	389.79	7.91	-57.29
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2CCCC2(C)C(=O)[O-])C=N1	REAL300003250210	1	53	0.0	-49.70	381.57	7.77	-41.93
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3CCCC3(C)C(=O)[O-])=C2)CC1	REAL300003250216	0	55	0.0	-77.30	409.39	8.44	-68.86
C[NH+]1CCN(CC2=CC=C(C(=O)NC3CCCC3(C)C(=O)[O-])C=C2)CC1	REAL300003250217	0	55	0.0	-68.54	410.24	8.44	-60.10
CN1CC[NH+](CC2=CC=C(C(=O)NC3CCCC3(C)C(=O)[O-])C=C2)CC1	REAL300003250217	1	55	0.0	-66.99	409.71	8.31	-58.68
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2CCCC2(C)C(=O)[O-])C=C1	REAL300003250218	0	56	0.0	-64.81	412.75	9.86	-54.95
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003250319	0	57	0.0	-68.54	424.87	8.17	-60.37
C[NH+](C)CC1=CC=CC(C(=O)NC2CCCC2(C)C(=O)[O-])=C1	REAL300003250323	0	46	0.0	-76.94	350.71	9.01	-67.93
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003250324	0	53	0.0	-70.86	393.61	10.76	-60.10
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003250324	1	53	0.0	-54.02	394.58	10.70	-43.32
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003250380	0	46	0.0	-60.64	343.10	9.31	-51.33
CC[NH+]1CCN(CCC(=O)NC2CCCC2(C)C(=O)[O-])CC1	REAL300003250382	0	51	0.0	-76.58	371.27	6.22	-70.36
CCN1CC[NH+](CCC(=O)NC2CCCC2(C)C(=O)[O-])CC1	REAL300003250382	1	51	0.0	-72.20	370.66	6.14	-66.06
CC(C)C(C(=O)NC1CCCC1(C)C(=O)[O-])[NH+]1CCCCC1	REAL300003250385	0	52	0.0	-62.62	361.14	9.62	-53.00
C[NH+](C)C(C(=O)NC1CCCC1(C)C(=O)[O-])C1=CC=CC=C1	REAL300003250386	1	46	0.0	-39.73	348.03	9.37	-30.36
CC1(C(=O)[O-])CCCC1NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003250390	0	51	0.0	-70.95	385.68	6.97	-63.98
CC1(C(=O)[O-])CCCC1NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003250390	1	51	0.0	-48.94	387.10	7.40	-41.54
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003250395	1	47	0.0	-66.32	358.00	8.68	-57.64
C[NH+](C)CC1=C(C(=O)NC2CCCC2(C)C(=O)[O-])OC2=CC=CC=C21	REAL300003250396	0	49	0.0	-60.30	379.33	9.82	-50.48
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300003250400	0	50	0.0	-46.50	356.01	9.40	-37.10
CC1(C(=O)[O-])CCCC1NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300003250400	1	50	0.0	-66.72	349.96	8.90	-57.82
CC(C)C(C(=O)NC1CCCC1(C)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300003250424	1	56	0.0	-72.45	398.80	7.92	-64.53
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CCCC3(C)C(=O)[O-])=CC=C1N2	REAL300003250452	1	51	0.0	-76.29	386.08	9.77	-66.52
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CCCC3(C)C(=O)[O-])=CC=C1N2	REAL300003250452	1	51	0.0	-83.00	385.85	9.43	-73.57
CC[NH+](CC)CC1=CC=C(C(=O)NC2CCCC2(C)C(=O)[O-])O1	REAL300003250504	0	49	0.0	-77.98	369.02	8.46	-69.52
CC1=CC=C(N2CCC(C(=O)NC3CCCC3(C)C(=O)[O-])CC2)[NH+]=C1	REAL300003250505	1	52	0.0	-74.16	386.51	8.65	-65.51
C[N@H+](CC(=O)NC1CCCC1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300003250506	1	46	0.0	-72.22	349.12	9.16	-63.06
C[N@@H+](CC(=O)NC1CCCC1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300003250506	1	46	0.0	-46.77	349.92	9.45	-37.32
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3CCCC3(C)C(=O)[O-])C=C2)CC1	REAL300003250509	0	58	0.0	-83.30	418.83	9.41	-73.89
CC1(C(=O)[O-])CCCC1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003250520	1	41	0.0	-70.84	332.49	7.29	-63.55
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003250554	0	53	0.0	-81.64	396.95	10.67	-70.97
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1CCCC1(C)C(=O)[O-]	REAL300003250554	1	53	0.0	-62.59	398.78	10.86	-51.73
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2CCCC2(C)C(=O)[O-])C=C1	REAL300003250572	0	54	0.0	-83.71	415.04	10.01	-73.70
CC1(C(=O)[O-])CCCC1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003250590	0	50	0.0	-64.29	379.07	9.56	-54.73
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2CCCC2(C)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003250621	0	52	0.0	-71.10	386.38	8.77	-62.33
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2CCCC2(C)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003250621	1	52	0.0	-50.20	385.96	8.81	-41.39
CC1(C(=O)[O-])CCCC1NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300003250860	0	54	0.0	-71.64	401.38	11.05	-60.59
CC1(C(=O)[O-])CCCC1NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300003250860	1	54	0.0	-62.13	403.45	11.33	-50.80
CC1(C(=O)[O-])CCCC1NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300003250892	1	53	0.0	-67.77	397.60	10.80	-56.97
CC1(C(=O)[O-])CCCC1NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300003250892	1	53	0.0	-73.36	397.57	10.73	-62.63
C[N@@H+]1CC(C(=O)NC2CCCC2(C)C(=O)[O-])C(C(F)(F)F)C1	REAL300003250975	0	43	0.0	-73.75	336.65	7.29	-66.46
C[N@H+]1CC(C(=O)NC2CCCC2(C)C(=O)[O-])C(C(F)(F)F)C1	REAL300003250975	1	43	0.0	-47.09	336.64	7.68	-39.41
C[NH+](C)CCC1=CC=CC(C(=O)NC2CCCC2(C)C(=O)[O-])=C1	REAL300003251407	0	49	0.0	-78.83	373.20	9.84	-68.99
C[NH+](C)CCOC1=CC=C(C(=O)NC2CCCC2(C)C(=O)[O-])C=C1	REAL300003251413	0	50	0.0	-66.74	381.36	8.81	-57.93
CC1(C(=O)[O-])CCCC1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003251492	0	56	0.0	-62.59	412.81	11.78	-50.81
CC1C[N@H+](CC2=CC=C(C(=O)NC3CCCC3(C)C(=O)[O-])C=C2)CCO1	REAL300003251494	1	54	0.0	-75.24	399.40	9.61	-65.63
CC1C[N@@H+](CC2=CC=C(C(=O)NC3CCCC3(C)C(=O)[O-])C=C2)CCO1	REAL300003251494	1	54	0.0	-85.84	398.12	9.18	-76.66
CC(C)C[N@@H+]1CCCC(C(=O)NC2CCCC2(C)C(=O)[O-])C1	REAL300003251580	0	52	0.0	-52.94	375.02	9.51	-43.43
CC(C)C[N@H+]1CCCC(C(=O)NC2CCCC2(C)C(=O)[O-])C1	REAL300003251580	1	52	0.0	-52.94	375.02	9.51	-43.43
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2CCCC2(C)C(=O)[O-])C1	REAL300003251588	0	52	0.0	-77.87	354.82	8.23	-69.64
C[N@H+]1CCCC(C(C)(C)C(=O)NC2CCCC2(C)C(=O)[O-])C1	REAL300003251588	1	52	0.0	-77.87	354.82	8.23	-69.64
O=C([O-])C1CCC[N@H+](CC(=O)N2CC(CC3=CSC=C3)C2)C1	REAL300003251689	0	44	0.0	-47.42	356.08	9.32	-38.10
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC(CC3=CSC=C3)C2)C1	REAL300003251689	1	44	0.0	-47.42	356.08	9.32	-38.10
CC(C)CN(CC1=CC=CC(Cl)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003251799	0	52	0.0	-49.20	399.58	12.24	-36.96
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3=CC=CN=N3)C=C2)C1	REAL300003251916	0	46	0.0	-57.51	371.69	6.34	-51.17
C[C@H]1C2=CC=CC=C2CN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003251998	0	44	0.0	-44.37	330.48	9.17	-35.20
C[C@H]1C2=CC=CC=C2CN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003251998	1	44	0.0	-44.37	330.48	9.17	-35.20
O=C([O-])C1CCC[N@H+](CC(=O)NC2COC3=C(C2)C2=CC=CC=C2C=C3)C1	REAL300003252102	0	51	0.0	-53.36	384.75	9.51	-43.85
O=C([O-])C1CCC[N@@H+](CC(=O)NC2COC3=C(C2)C2=CC=CC=C2C=C3)C1	REAL300003252102	1	51	0.0	-53.24	390.22	9.50	-43.74
CC1(C)CC2=CC=CC(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2O1	REAL300003252245	0	54	0.0	-50.07	409.28	9.39	-40.68
CC1(C)CC2=CC=CC(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2O1	REAL300003252245	1	54	0.0	-47.17	407.37	8.94	-38.23
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC3=CC(Br)=CC=C3C2)C1	REAL300003252361	0	45	0.0	-50.76	362.91	9.23	-41.53
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC3=CC(Br)=CC=C3C2)C1	REAL300003252361	1	45	0.0	-50.38	363.05	9.24	-41.14
O=C([O-])CC1(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCOCC1	REAL300003253475	0	54	0.0	-62.98	394.57	9.54	-53.44
O=C([O-])CC1(NC(=O)C2CC[NH+](C3CC3)CC2)CCOCC1	REAL300003254800	0	48	0.0	-60.96	342.68	7.22	-53.74
CC1=[NH+]C=C2CCC(C(=O)NC3(CC(=O)[O-])CCOCC3)CN21	REAL300003254825	1	46	0.0	-53.31	341.14	7.01	-46.30
CC1=NC(C[NH+]2CCC(C(=O)NC3(CC(=O)[O-])CCOCC3)CC2)=CS1	REAL300003254886	1	53	0.0	-62.47	401.17	7.52	-54.95
CC(C(=O)NC1(CC(=O)[O-])CCOCC1)N1CC[NH+](C)CC1	REAL300003254887	1	49	0.0	-62.25	344.00	4.08	-58.17
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2(CC(=O)[O-])CCOCC2)C=C1	REAL300003254957	0	57	0.0	-69.42	427.34	9.01	-60.41
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(CC(=O)[O-])CCOCC2)=C1	REAL300003254962	0	57	0.0	-68.30	428.08	11.36	-56.94
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(CC(=O)[O-])CCOCC2)=C1	REAL300003254962	1	57	0.0	-69.10	428.13	11.36	-57.74
O=C([O-])CC1(NC(=O)C2=CN3C=[NH+]C=C3C=C2)CCOCC1	REAL300003255014	0	39	0.0	-60.63	303.44	7.77	-52.86
C[NH+](C)CC1(C(=O)NC2(CC(=O)[O-])CCOCC2)CCCCC1	REAL300003255039	0	53	0.0	-71.78	340.25	7.41	-64.37
C[N@H+](CCC(=O)NC1(CC(=O)[O-])CCOCC1)C1CCCCC1	REAL300003255042	0	53	0.0	-55.83	371.69	7.86	-47.97
C[N@@H+](CCC(=O)NC1(CC(=O)[O-])CCOCC1)C1CCCCC1	REAL300003255042	1	53	0.0	-54.61	371.69	7.86	-46.75
O=C([O-])CC1(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCOCC1	REAL300003255103	0	47	0.0	-68.56	361.62	7.00	-61.56
O=C([O-])CC1(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CCOCC1	REAL300003255119	0	55	0.0	-64.58	385.48	6.65	-57.93
CC1=[NH+]C=CN1CCCC(=O)NC1(CC(=O)[O-])CCOCC1	REAL300003255147	1	45	0.0	-55.50	344.25	7.16	-48.34
O=C([O-])CC1(NC(=O)CCCC[NH+]2CCOCC2)CCOCC1	REAL300003255148	1	51	0.0	-64.03	371.55	5.86	-58.17
CC[N@H+](CC1=CC=C(C(=O)NC2(CC(=O)[O-])CCOCC2)C=C1)C(C)C	REAL300003255149	0	56	0.0	-67.36	396.83	9.31	-58.05
CC[N@@H+](CC1=CC=C(C(=O)NC2(CC(=O)[O-])CCOCC2)C=C1)C(C)C	REAL300003255149	1	56	0.0	-68.69	391.36	9.02	-59.67
O=C([O-])CC1(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300003255167	0	51	0.0	-56.73	376.82	8.65	-48.08
O=C([O-])CC1(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300003255167	1	51	0.0	-56.83	376.80	8.66	-48.17
O=C([O-])CC1(NC(=O)C2CC[NH+](C3CCSC3)CC2)CCOCC1	REAL300003255168	0	52	0.0	-67.93	373.04	7.99	-59.94
O=C([O-])CC1(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CCOCC1	REAL300003255196	0	55	0.0	-56.27	370.07	6.13	-50.14
CCC(C(=O)NC1(CC(=O)[O-])CCOCC1)[NH+](CC)CC	REAL300003255200	0	49	0.0	-46.27	339.58	6.74	-39.53
CC(C(=O)NC1(CC(=O)[O-])CCOCC1)[N@H+](C)CC1=CC=CC=C1	REAL300003255202	0	50	0.0	-52.86	368.66	8.38	-44.48
CC(C(=O)NC1(CC(=O)[O-])CCOCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300003255202	1	50	0.0	-51.86	368.01	8.44	-43.42
O=C([O-])CC1(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCOCC1	REAL300003255210	0	57	0.0	-54.48	409.20	10.47	-44.01
O=C([O-])CC1(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCOCC1	REAL300003255210	1	57	0.0	-47.92	408.54	10.49	-37.43
C[NH+](C)CC1=CC=C(C(=O)NC2(CC(=O)[O-])CCOCC2)C=N1	REAL300003255226	0	46	0.0	-66.70	347.23	6.29	-60.41
CCC[NH+](CCC)CCCC(=O)NC1(CC(=O)[O-])CCOCC1	REAL300003255233	0	55	0.0	-58.26	395.33	8.55	-49.71
CC(C)C1=[NH+]C=CN1CC(=O)NC1(CC(=O)[O-])CCOCC1	REAL300003255241	1	45	0.0	-47.94	339.05	7.01	-40.93
O=C([O-])CC1(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCOCC1	REAL300003255254	0	51	0.0	-71.30	376.43	9.01	-62.29
O=C([O-])CC1(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCOCC1	REAL300003255259	0	54	0.0	-65.55	392.99	9.62	-55.93
CCN1CCC([NH+]2CCC(C(=O)NC3(CC(=O)[O-])CCOCC3)CC2)CC1	REAL300003255265	0	62	0.0	-62.42	422.82	6.85	-55.57
CC1C[NH+](CC2=CC=C(C(=O)NC3(CC(=O)[O-])CCOCC3)C=C2)CC(C)O1	REAL300003255272	1	58	0.0	-72.00	426.34	8.65	-63.35
O=C([O-])CC1(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CCOCC1	REAL300003255283	1	55	0.0	-65.34	400.84	8.64	-56.70
O=C([O-])CC1(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CCOCC1	REAL300003255283	1	55	0.0	-67.01	400.80	8.65	-58.36
CC1=C(C(=O)NC2(CC(=O)[O-])CCOCC2)C=NN1C1=CC=[NH+]C=C1	REAL300003255299	1	45	0.0	-72.01	347.40	6.13	-65.88
O=C([O-])CC1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCOCC1	REAL300003255302	0	54	0.0	-70.15	392.67	9.58	-60.57
O=C([O-])CC1(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCOCC1	REAL300003255313	1	47	0.0	-68.58	357.75	6.44	-62.14
C[NH+](C)CCC1=CC=C(C(=O)NC2(CC(=O)[O-])CCOCC2)C=C1	REAL300003255314	0	50	0.0	-73.73	373.91	8.61	-65.12
CNC1=[NH+]C(C)=CC=C1C(=O)NC1(CC(=O)[O-])CCOCC1	REAL300003255319	1	43	0.0	-50.25	322.85	5.44	-44.81
CC(C(=O)NC1(CC(=O)[O-])CCOCC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003255330	0	60	0.0	-53.02	424.22	10.68	-42.34
CC(C(=O)NC1(CC(=O)[O-])CCOCC1)[NH+]1CCSCC1	REAL300003255359	1	45	0.0	-51.52	328.02	6.26	-45.26
C[N@H+](CC(=O)NC1(CC(=O)[O-])CCOCC1)CC(C)(C)C	REAL300003255365	0	49	0.0	-49.05	340.78	6.77	-42.28
C[N@@H+](CC(=O)NC1(CC(=O)[O-])CCOCC1)CC(C)(C)C	REAL300003255365	1	49	0.0	-49.06	343.83	6.95	-42.11
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(CC(=O)[O-])CCOCC1	REAL300003255367	0	50	0.0	-52.49	372.58	8.80	-43.69
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(CC(=O)[O-])CCOCC1	REAL300003255367	1	50	0.0	-52.32	372.65	8.80	-43.52
COCCOCC[N@H+](C)CCC(=O)NC1(CC(=O)[O-])CCOCC1	REAL300003255368	0	54	0.0	-57.07	401.48	4.96	-52.11
COCCOCC[N@@H+](C)CCC(=O)NC1(CC(=O)[O-])CCOCC1	REAL300003255368	1	54	0.0	-58.85	401.63	4.98	-53.87
C[N@@H+]1CCCC(O)(CC(=O)NC2(CC(=O)[O-])CCOCC2)C1	REAL300003255371	0	48	0.0	-51.67	334.00	4.32	-47.35
C[N@H+]1CCCC(O)(CC(=O)NC2(CC(=O)[O-])CCOCC2)C1	REAL300003255371	1	48	0.0	-50.13	343.81	4.55	-45.58
O=C([O-])CC1(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCOCC1	REAL300003255378	0	59	0.0	-62.66	427.07	8.36	-54.30
CCCCCC[N@H+](C)CC(=O)NC1(CC(=O)[O-])CCOCC1	REAL300003255380	0	52	0.0	-50.43	377.17	8.13	-42.30
CCCCCC[N@@H+](C)CC(=O)NC1(CC(=O)[O-])CCOCC1	REAL300003255380	1	52	0.0	-50.21	377.00	8.03	-42.18
O=C([O-])CC1(NC(=O)C2=CC3=C[NH+]=CN3C=C2)CCOCC1	REAL300003255390	1	39	0.0	-65.90	303.71	7.80	-58.10
C[N@H+](CC(=O)NC1(CC(=O)[O-])CCOCC1)C1CCSC1	REAL300003255406	0	45	0.0	-50.72	332.76	6.51	-44.21
C[N@@H+](CC(=O)NC1(CC(=O)[O-])CCOCC1)C1CCSC1	REAL300003255406	1	45	0.0	-54.16	332.54	6.52	-47.64
CC(C)[NH+]1CCN(CCC(=O)NC2(CC(=O)[O-])CCOCC2)CC1	REAL300003255420	0	55	0.0	-59.11	388.86	5.54	-53.57
CC(C)[NH+]1CCN(CCCC(=O)NC2(CC(=O)[O-])CCOCC2)CC1	REAL300003255421	0	58	0.0	-59.47	405.02	5.87	-53.60
CC(C)N1CC[NH+](CCCC(=O)NC2(CC(=O)[O-])CCOCC2)CC1	REAL300003255421	1	58	0.0	-58.33	406.44	6.03	-52.30
O=C([O-])CC1(NC(=O)C2CCCC3CCC[N@@H+]32)CCOCC1	REAL300003255422	0	48	0.0	-44.39	337.64	7.10	-37.29
O=C([O-])CC1(NC(=O)C2CCCC3CCC[N@H+]32)CCOCC1	REAL300003255422	1	48	0.0	-46.18	338.53	7.20	-38.98
C[NH+](C)CCN1C=C(C(=O)NC2(CC(=O)[O-])CCOCC2)C=N1	REAL300003255424	0	47	0.0	-69.86	357.65	5.79	-64.07
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3(CC(=O)[O-])CCOCC3)CC2)=C1	REAL300003255427	0	59	0.0	-58.90	426.97	8.23	-50.67
O=C([O-])CC1(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CCOCC1	REAL300003255429	0	56	0.0	-58.02	406.07	7.60	-50.42
O=C([O-])CC1(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCOCC1	REAL300003255431	0	53	0.0	-58.38	381.70	7.92	-50.46
O=C([O-])CC1(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCOCC1	REAL300003255431	1	53	0.0	-59.16	389.06	7.70	-51.46
CC(C(=O)NC1(CC(=O)[O-])CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003255436	1	51	0.0	-50.04	368.32	8.90	-41.14
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CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=CC=C(CC(=O)[O-])C=C3)C=C2)CC1	REAL300003265808	0	55	0.0	-80.02	417.42	10.11	-69.91
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CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=C(CC(=O)[O-])C=C2)[C@@H](C(F)(F)F)C1	REAL300003265934	1	49	0.0	-70.19	384.43	9.50	-60.69
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(CC(=O)[O-])C=C2)C1	REAL300003266074	0	46	0.0	-72.64	354.80	9.28	-63.36
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(CC(=O)[O-])C=C2)C1	REAL300003266074	1	46	0.0	-66.73	348.82	9.45	-57.28
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(CC(=O)[O-])C=C1	REAL300003266105	0	46	0.0	-68.63	355.39	9.40	-59.23
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CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(CC(=O)[O-])C=C2)C1	REAL300003266322	0	46	0.0	-65.90	343.96	9.23	-56.67
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(CC(=O)[O-])C=C2)C1	REAL300003266322	1	46	0.0	-65.89	343.95	9.23	-56.66
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C[N@H+]1CC(C(=O)NC2=CC=C(CC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300003266323	1	40	0.0	-80.11	328.63	7.80	-72.31
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(CC(=O)[O-])C=C2)N1	REAL300003266349	1	41	0.0	-68.72	341.49	7.55	-61.17
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300003266798	0	46	0.0	-77.44	372.18	10.57	-66.87
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300003266804	0	47	0.0	-80.72	379.23	9.53	-71.19
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CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C(CC(=O)[O-])C=C3)C=C2)CCO1	REAL300003266895	1	51	0.0	-83.83	396.77	9.92	-73.91
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(CC(=O)[O-])C=C3)C=C2)CCO1	REAL300003266895	1	51	0.0	-83.60	396.77	9.92	-73.68
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300003266933	0	46	0.0	-69.97	343.60	8.93	-61.04
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(CC(=O)[O-])C=C2)C1	REAL300003266995	0	49	0.0	-67.16	366.25	10.13	-57.03
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(CC(=O)[O-])C=C2)C1	REAL300003266995	1	49	0.0	-67.16	366.25	10.13	-57.03
CN(C)CC1=CC=C(C(=O)NC2=CC=C(CC(=O)[O-])C=C2)O1	REAL300003267000	0	40	0.0	-80.27	335.82	8.08	-72.19
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(CC(=O)[O-])C=C2)O1	REAL300003267000	1	40	0.0	-80.27	335.82	8.08	-72.19
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(CC(=O)[O-])C=C2)C1	REAL300003267005	0	49	0.0	-76.66	353.93	8.93	-67.73
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(CC(=O)[O-])C=C2)C1	REAL300003267005	1	49	0.0	-77.34	361.29	9.39	-67.95
O=C([O-])CC1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300003267008	1	42	0.0	-70.33	322.23	8.90	-61.43
O=C([O-])CC1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300003267008	1	42	0.0	-70.26	335.21	8.85	-61.41
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C[NH+](C)C)C(=O)[O-]	REAL300003267383	0	46	0.0	-62.59	373.11	8.36	-54.23
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[O-]	REAL300003267392	1	53	0.0	-62.01	411.12	9.80	-52.21
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[O-]	REAL300003267392	1	53	0.0	-58.15	402.92	9.63	-48.52
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300003267402	0	53	0.0	-75.50	415.73	9.96	-65.54
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C1CCC[N@H+]1C)C(=O)[O-]	REAL300003267424	0	50	0.0	-59.83	398.79	9.28	-50.55
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C1CCC[N@@H+]1C)C(=O)[O-]	REAL300003267424	1	50	0.0	-64.05	392.36	8.86	-55.19
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C1CC[NH+](C)CC1)C(=O)[O-]	REAL300003267440	0	53	0.0	-75.50	415.73	9.96	-65.54
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)[C@H](C)[NH+](C)C)C(=O)[O-]	REAL300003267455	0	49	0.0	-64.07	387.46	8.63	-55.44
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)[C@H]1CCC[N@H+]1C)C(=O)[O-]	REAL300003267456	0	50	0.0	-64.41	391.76	8.85	-55.56
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[O-]	REAL300003267456	1	50	0.0	-59.67	397.00	9.40	-50.27
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)[C@@H](C)[NH+](C)C)C(=O)[O-]	REAL300003267459	0	49	0.0	-60.86	390.25	8.72	-52.14
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C1C[N@H+](C)CCO1)C(=O)[O-]	REAL300003267495	1	51	0.0	-67.64	399.52	8.47	-59.17
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C1C[N@@H+](C)CCO1)C(=O)[O-]	REAL300003267495	1	51	0.0	-54.11	399.52	8.47	-45.64
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C1(C[NH+](C)C)CC1)C(=O)[O-]	REAL300003267503	0	53	0.0	-56.43	424.44	10.31	-46.12
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)CCCC[NH+](C)C)C(=O)[O-]	REAL300003267505	0	55	0.0	-75.08	438.57	10.50	-64.58
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=C(C)N(C2=CC=C(F)C=C2)N=C1C	REAL300003267516	0	52	0.0	-59.43	409.81	9.62	-49.81
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=C(C)N(C2=CC=C(F)C=C2)N=C1C	REAL300003267516	1	52	0.0	-59.51	409.81	9.63	-49.88
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C[N@@H+](C)C1CCC1)C(=O)[O-]	REAL300003267521	0	53	0.0	-58.70	417.24	10.29	-48.41
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C[N@H+](C)C1CCC1)C(=O)[O-]	REAL300003267521	1	53	0.0	-58.80	419.44	10.36	-48.44
CC[C@@H](C(=O)NC(C(=O)[O-])C1=C(C)N(C2=CC=C(F)C=C2)N=C1C)[NH+](C)C	REAL300003267527	0	52	0.0	-62.12	399.96	9.19	-52.93
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)[O-]	REAL300003267549	0	53	0.0	-73.70	410.33	9.36	-64.34
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)[O-]	REAL300003267549	1	53	0.0	-66.85	411.64	9.42	-57.43
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C[NH+]1CCCC1)C(=O)[O-]	REAL300003267553	1	50	0.0	-59.16	396.06	9.35	-49.81
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)CN1C=C[NH+]=C1C)C(=O)[O-]	REAL300003267554	1	48	0.0	-59.30	400.01	9.83	-49.47
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1=C(C)N(C2=CC=C(F)C=C2)N=C1C	REAL300003267575	0	52	0.0	-59.87	404.78	9.45	-50.42
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C12CC[NH+](CC1)C2)C(=O)[O-]	REAL300003267585	0	51	0.0	-70.07	402.31	8.81	-61.26
CCC(C(=O)NC(C(=O)[O-])C1=C(C)N(C2=CC=C(F)C=C2)N=C1C)[NH+](C)C	REAL300003267587	0	52	0.0	-60.08	403.77	9.36	-50.72
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C[N@@H+](C)C(C)C)C(=O)[O-]	REAL300003267607	0	52	0.0	-57.43	405.00	9.42	-48.01
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C[N@H+](C)C(C)C)C(=O)[O-]	REAL300003267607	1	52	0.0	-56.72	404.96	9.42	-47.30
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=C(C)N(C2=CC=C(F)C=C2)N=C1C)C1CC1	REAL300003267611	0	53	0.0	-55.96	420.60	10.35	-45.61
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=C(C)N(C2=CC=C(F)C=C2)N=C1C)C1CC1	REAL300003267611	1	53	0.0	-57.77	421.47	10.33	-47.44
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)[C@@H]1CCC[N@H+]1C)C(=O)[O-]	REAL300003267616	0	50	0.0	-58.35	394.93	9.13	-49.22
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[O-]	REAL300003267616	1	50	0.0	-55.78	391.26	8.83	-46.95
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C[NH2+]C(C)(C)C)C(=O)[O-]	REAL300003267632	0	52	0.0	-58.95	412.15	8.07	-50.88
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(=O)[O-]	REAL300003267800	0	53	0.0	-66.30	420.43	10.02	-56.28
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300003267808	0	53	0.0	-55.93	408.82	10.08	-45.85
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300003267808	1	53	0.0	-68.44	415.31	9.91	-58.53
CC(C)CN(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003267875	0	52	0.0	-44.61	386.31	11.60	-33.01
CC(C)CN(CC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003267875	1	52	0.0	-46.67	384.03	11.71	-34.96
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300003269054	0	49	0.0	-72.36	399.25	5.04	-67.32
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C2CCC[N@@H+]2C2CC2)=C1	REAL300003269070	1	46	0.0	-68.85	378.04	3.94	-64.91
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C2CCC[N@H+]2C2CC2)=C1	REAL300003269070	1	46	0.0	-78.92	377.81	4.01	-74.91
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=CC(S(=O)(=O)NCC(=O)[O-])=C3)CN21	REAL300003269074	1	47	0.0	-70.58	393.51	4.72	-65.86
C[NH+](C)CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269116	1	38	0.0	-73.64	325.63	1.97	-71.67
C[N@@H+]1CCCCC1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269117	1	45	0.0	-68.59	367.25	3.59	-65.00
C[N@H+]1CCCCC1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269117	1	45	0.0	-70.10	358.07	3.38	-66.72
CC(C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300003269118	1	50	0.0	-72.26	398.58	1.82	-70.44
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269147	1	45	0.0	-67.95	367.31	3.59	-64.36
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269147	1	45	0.0	-71.68	358.05	3.38	-68.30
C[NH+]1CCC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)CC1	REAL300003269187	0	45	0.0	-81.46	369.96	3.63	-77.83
C[N@H+](CCC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)C1CCCCC1	REAL300003269233	0	54	0.0	-78.51	423.76	5.57	-72.94
C[N@@H+](CCC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)C1CCCCC1	REAL300003269233	1	54	0.0	-78.88	423.75	5.58	-73.30
C[N@@H+]1CCCC1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269241	1	42	0.0	-68.43	351.18	2.94	-65.49
C[N@H+]1CCCC1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269241	1	42	0.0	-69.53	351.97	3.03	-66.50
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269309	1	46	0.0	-74.05	396.31	4.89	-69.16
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)CCCC[NH+]2CCOCC2)=C1	REAL300003269310	1	52	0.0	-76.21	423.90	3.56	-72.65
C[C@@H](C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)[NH+](C)C	REAL300003269316	0	41	0.0	-70.51	343.83	2.39	-68.12
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269317	1	42	0.0	-69.67	345.63	2.54	-67.13
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269317	1	42	0.0	-69.30	350.45	3.01	-66.29
C[C@H](C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)[NH+](C)C	REAL300003269321	0	41	0.0	-73.59	342.69	2.46	-71.13
C[NH+](C)C1(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)CC1	REAL300003269329	1	42	0.0	-72.02	349.43	2.83	-69.19
CCC(C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)[NH+](CC)CC	REAL300003269383	0	50	0.0	-67.65	390.15	4.40	-63.25
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C=N1	REAL300003269400	0	47	0.0	-83.39	399.26	3.62	-79.77
CCC[NH+](CCC)CCCC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269403	0	56	0.0	-76.18	448.30	6.18	-70.00
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269413	1	46	0.0	-70.80	391.03	4.72	-66.08
C[NH+](C)CC1(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)CC1	REAL300003269422	0	45	0.0	-72.09	371.42	3.82	-68.27
C[NH+](C)CCCCC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269427	0	47	0.0	-78.92	390.71	4.13	-74.79
CC(C)C(C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)[NH+](C)C	REAL300003269437	0	47	0.0	-70.11	372.96	4.18	-65.93
CCC[N@H+](C)CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269458	0	44	0.0	-75.13	364.84	3.39	-71.74
CCC[N@@H+](C)CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269458	1	44	0.0	-73.19	364.87	3.39	-69.80
C[N@H+](CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)C1CCC1	REAL300003269475	0	45	0.0	-72.89	371.71	3.96	-68.93
C[N@@H+](CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)C1CCC1	REAL300003269475	1	45	0.0	-71.09	371.87	3.97	-67.12
C[N@H+](CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)CC(C)(C)C	REAL300003269488	0	50	0.0	-74.80	394.30	4.40	-70.40
C[N@@H+](CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)CC(C)(C)C	REAL300003269488	1	50	0.0	-72.60	395.24	4.54	-68.06
CC[C@@H](C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)[NH+](C)C	REAL300003269491	0	44	0.0	-70.06	355.47	2.99	-67.07
CCCCCC[N@H+](C)CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269511	0	53	0.0	-77.09	429.07	5.75	-71.34
CCCCCC[N@@H+](C)CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269511	1	53	0.0	-74.10	429.10	5.74	-68.36
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C23CCC[NH+]2CCC3)=C1	REAL300003269517	0	46	0.0	-76.50	369.88	3.92	-72.58
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=C1	REAL300003269524	1	40	0.0	-76.11	356.08	5.49	-70.62
C[N@H+](CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)C1CCSC1	REAL300003269529	1	46	0.0	-81.29	385.11	4.20	-77.09
C[N@@H+](CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)C1CCSC1	REAL300003269529	1	46	0.0	-78.11	384.90	4.22	-73.89
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C2CCCC3CCC[N@@H+]32)=C1	REAL300003269542	0	49	0.0	-65.41	389.90	4.79	-60.62
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C2CCCC3CCC[N@H+]32)=C1	REAL300003269542	1	49	0.0	-69.66	382.29	4.52	-65.14
C[NH+](C)CCN1C=C(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C=N1	REAL300003269543	0	48	0.0	-79.13	409.95	3.48	-75.65
CCCC(C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)[NH+](C)C	REAL300003269561	0	47	0.0	-69.79	376.27	3.75	-66.04
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)=N1	REAL300003269570	0	48	0.0	-90.99	410.02	3.51	-87.48
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269571	0	48	0.0	-70.07	405.30	3.46	-66.61
C[C@@H]1[C@H](C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)CC[N@@H+]1C	REAL300003269573	0	45	0.0	-80.42	361.21	3.00	-77.42
C[C@@H]1[C@H](C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)CC[N@H+]1C	REAL300003269573	1	45	0.0	-77.34	368.62	3.24	-74.10
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269575	1	49	0.0	-70.86	411.30	5.20	-65.66
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)CC[N@@H+]1C	REAL300003269577	0	48	0.0	-75.86	382.71	3.68	-72.18
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)CC[N@H+]1C	REAL300003269577	1	48	0.0	-77.54	387.81	3.96	-73.58
CC1C[N@H+](C)CC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)O1	REAL300003269582	1	46	0.0	-85.82	377.28	2.65	-83.17
CC1C[N@@H+](C)CC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)O1	REAL300003269582	1	46	0.0	-90.92	376.66	2.66	-88.26
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C[NH+]2CCCC2)=C1	REAL300003269588	1	42	0.0	-71.89	350.39	3.05	-68.84
CC1=[NH+]C=CN1CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269590	1	40	0.0	-72.13	354.77	3.61	-68.52
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269592	1	49	0.0	-77.85	396.46	2.70	-75.15
CC1CC[NH+](CC(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)CC1	REAL300003269611	1	48	0.0	-76.67	387.92	4.48	-72.19
CC[N@@H+]1CCOC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C1	REAL300003269619	1	46	0.0	-88.16	380.44	3.00	-85.16
CC[N@H+]1CCOC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C1	REAL300003269619	1	46	0.0	-81.97	373.72	2.82	-79.15
C[N@@H+]1CCCC1CCC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269643	0	48	0.0	-79.15	389.21	4.32	-74.83
C[N@H+]1CCCC1CCC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269643	1	48	0.0	-74.54	387.35	4.03	-70.51
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C23CCC[NH+](CCC2)C3)=C1	REAL300003269651	0	49	0.0	-71.60	382.81	4.16	-67.44
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269653	1	46	0.0	-74.01	373.29	0.12	-73.89
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269653	1	46	0.0	-71.35	371.89	0.31	-71.04
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C2CCC3CCCC[N@@H+]32)=C1	REAL300003269654	0	49	0.0	-67.57	387.15	4.48	-63.09
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C2CCC3CCCC[N@H+]32)=C1	REAL300003269654	1	49	0.0	-65.38	393.28	4.92	-60.46
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269658	0	52	0.0	-74.55	406.31	3.09	-71.46
CC[NH+](CC)CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269667	0	44	0.0	-72.95	356.53	3.04	-69.91
CCC(C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)[NH+](C)C	REAL300003269720	0	44	0.0	-69.08	354.77	2.97	-66.11
CC1CCC(C)[NH+]1CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269754	0	48	0.0	-68.47	382.88	3.85	-64.62
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)=C1	REAL300003269755	0	48	0.0	-75.08	403.84	5.45	-69.63
C#CC[NH+]1CCC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)CC1	REAL300003269796	0	47	0.0	-81.33	394.64	4.78	-76.55
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269797	0	51	0.0	-64.82	406.69	4.97	-59.85
CCC[N@H+]1CCCCC1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269797	1	51	0.0	-69.26	406.35	4.97	-64.29
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269798	0	48	0.0	-63.59	396.45	5.73	-57.86
CC(C)[N@H+](C)CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269799	0	44	0.0	-73.33	359.76	3.20	-70.13
CC(C)[N@@H+](C)CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269799	1	44	0.0	-70.11	359.80	3.20	-66.91
CC(C)C(C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)[NH+]1CCCCC1	REAL300003269800	0	54	0.0	-71.30	414.66	5.32	-65.98
C[NH+](C)C(C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)C1=CC=CC=C1	REAL300003269801	1	48	0.0	-74.11	400.07	5.47	-68.64
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269805	1	49	0.0	-70.56	410.75	5.14	-65.42
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=C1	REAL300003269810	0	52	0.0	-66.44	412.35	5.57	-60.87
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C2CCC[N@H+]2C2CCCC2)=C1	REAL300003269810	1	52	0.0	-69.21	404.06	5.27	-63.94
CC[N@H+](CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)C1CC1	REAL300003269812	0	45	0.0	-72.12	373.94	4.02	-68.10
CC[N@@H+](CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)C1CC1	REAL300003269812	1	45	0.0	-73.21	371.03	4.01	-69.20
CC(C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)[NH+]1CCCCCC1	REAL300003269825	0	51	0.0	-70.99	395.07	4.42	-66.57
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269828	1	42	0.0	-68.92	351.23	3.00	-65.92
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269828	1	42	0.0	-70.65	345.74	2.54	-68.11
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)CCCC[NH+]2CCCC2)=C1	REAL300003269870	0	51	0.0	-72.90	416.96	5.29	-67.61
C[N@H+](CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)CC1=CC=CC=C1	REAL300003269872	1	48	0.0	-80.88	402.00	5.59	-75.29
C[N@@H+](CC(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1)CC1=CC=CC=C1	REAL300003269872	1	48	0.0	-77.11	402.09	5.59	-71.52
C[NH+](C)CC1=CC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)=NO1	REAL300003269901	1	44	0.0	-79.83	383.71	2.95	-76.88
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269910	0	48	0.0	-67.48	377.67	4.03	-63.45
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003269910	1	48	0.0	-65.77	377.54	3.97	-61.80
C[NH+]1CCC(OCC(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)CC1	REAL300003269924	0	49	0.0	-77.41	405.58	3.99	-73.42
CCC[N@@H+]1CCCC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C1	REAL300003270024	0	51	0.0	-69.05	403.06	5.21	-63.84
CCC[N@H+]1CCCC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C1	REAL300003270024	1	51	0.0	-75.00	409.31	5.01	-69.99
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003270040	0	51	0.0	-68.86	399.02	5.02	-63.84
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300003270040	1	51	0.0	-67.98	409.95	5.05	-62.93
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C[NH+]2CCC(CO)CC2)=C1	REAL300003270041	1	49	0.0	-76.28	399.04	1.15	-75.13
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C1	REAL300003270173	0	51	0.0	-73.77	404.04	4.77	-69.00
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C1	REAL300003270173	1	51	0.0	-65.83	398.18	4.99	-60.84
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)N1	REAL300003270189	1	46	0.0	-71.42	395.58	3.27	-68.15
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C1	REAL300003270536	0	45	0.0	-76.72	375.08	3.71	-73.01
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)CC1	REAL300003270540	0	51	0.0	-69.92	397.88	4.66	-65.26
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C1	REAL300003270579	0	54	0.0	-75.15	426.74	5.68	-69.47
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C1	REAL300003270579	1	54	0.0	-75.15	426.74	5.68	-69.47
CC[N@@H+]1CCCC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C1	REAL300003270580	0	48	0.0	-66.66	381.54	4.48	-62.18
CC[N@H+]1CCCC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C1	REAL300003270580	1	48	0.0	-66.66	381.54	4.48	-62.18
C[N@@H+]1CCCC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C1	REAL300003270585	0	45	0.0	-67.08	363.77	3.78	-63.30
C[N@H+]1CCCC(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C1	REAL300003270585	1	45	0.0	-67.08	363.77	3.78	-63.30
CN(C)CC1=CC=C(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)O1	REAL300003270587	0	45	0.0	-85.57	388.82	3.70	-81.87
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)O1	REAL300003270587	1	45	0.0	-85.57	388.82	3.70	-81.87
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C1	REAL300003270592	0	54	0.0	-77.87	415.39	5.11	-72.76
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(S(=O)(=O)NCC(=O)[O-])=C2)C1	REAL300003270592	1	54	0.0	-77.87	415.39	5.11	-72.76
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C23CC(C2)CN3C2CC2)=C1	REAL300003270595	0	47	0.0	-75.93	382.41	4.61	-71.32
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300003270595	1	47	0.0	-70.37	382.65	5.11	-65.26
O=C([O-])CNS(=O)(=O)C1=CC=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=C1	REAL300003270595	1	47	0.0	-70.37	382.65	5.11	-65.26
O=C([O-])CC(C1=CC=CC=C1)C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1	REAL300003271718	0	60	0.0	-71.37	423.31	12.67	-58.70
O=C([O-])CC(C1=CC=CC=C1)C1CCN(C(=O)C2CCC[N@@H+]2C2CC2)CC1	REAL300003271736	0	57	0.0	-64.67	408.13	11.94	-52.73
O=C([O-])CC(C1=CC=CC=C1)C1CCN(C(=O)C2CCC[N@H+]2C2CC2)CC1	REAL300003271736	1	57	0.0	-64.86	411.85	12.39	-52.47
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C(CC(=O)[O-])C4=CC=CC=C4)CC3)CN12	REAL300003271740	1	58	0.0	-64.95	431.05	12.84	-52.11
C[NH+](C)CC(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003271783	0	49	0.0	-70.52	363.65	10.24	-60.28
C[N@@H+]1CCCCC1C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003271784	0	56	0.0	-66.54	404.03	11.82	-54.72
C[N@H+]1CCCCC1C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003271784	1	56	0.0	-69.14	396.29	11.42	-57.72
CC(C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1)N1CC[NH+](C)CC1	REAL300003271785	1	61	0.0	-72.79	437.90	10.12	-62.67
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003271814	0	56	0.0	-67.19	403.27	11.77	-55.42
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003271814	1	56	0.0	-65.59	392.99	11.28	-54.31
C[NH+]1CCC(C(=O)N2CCC(C(CC(=O)[O-])C3=CC=CC=C3)CC2)CC1	REAL300003271852	0	56	0.0	-74.29	407.75	11.81	-62.48
O=C([O-])CC(C1=CC=CC=C1)C1CCN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC1	REAL300003271876	0	51	0.0	-71.73	384.12	13.14	-58.59
C[N@@H+]1CCCC1C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003271906	0	53	0.0	-63.72	374.93	10.54	-53.18
C[N@H+]1CCCC1C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003271906	1	53	0.0	-66.63	385.57	11.08	-55.55
C[NH+]1CCC(C(=O)N2CCC(C(CC(=O)[O-])C3=CC=CC=C3)CC2)CC1	REAL300003271944	0	56	0.0	-74.29	407.75	11.81	-62.48
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003271972	1	57	0.0	-67.79	427.59	12.98	-54.81
C[C@@H](C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1)[NH+](C)C	REAL300003271978	0	52	0.0	-67.53	378.81	10.60	-56.93
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003271979	0	53	0.0	-65.87	382.06	10.78	-55.09
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003271979	1	53	0.0	-64.69	378.13	10.82	-53.87
C[C@H](C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1)[NH+](C)C	REAL300003271983	0	52	0.0	-66.67	379.91	10.64	-56.03
C[NH+](C)C1(C(=O)N2CCC(C(CC(=O)[O-])C3=CC=CC=C3)CC2)CC1	REAL300003271991	0	53	0.0	-69.67	375.00	10.41	-59.26
CCC(C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1)[NH+](CC)CC	REAL300003272046	0	61	0.0	-60.68	419.16	12.17	-48.51
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C(CC(=O)[O-])C3=CC=CC=C3)CC2)C=N1	REAL300003272062	0	58	0.0	-75.19	430.14	11.72	-63.47
C[N@@H+]1CCOC(C(=O)N2CCC(C(CC(=O)[O-])C3=CC=CC=C3)CC2)C1	REAL300003272065	1	54	0.0	-78.23	397.54	10.52	-67.71
C[N@H+]1CCOC(C(=O)N2CCC(C(CC(=O)[O-])C3=CC=CC=C3)CC2)C1	REAL300003272065	1	54	0.0	-82.42	396.48	10.48	-71.94
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003272074	1	57	0.0	-62.14	422.42	12.76	-49.38
C[NH+](C)CC1(C(=O)N2CCC(C(CC(=O)[O-])C3=CC=CC=C3)CC2)CC1	REAL300003272082	0	56	0.0	-63.90	411.99	11.79	-52.11
C[NH+](C)CCCCC(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003272087	0	58	0.0	-74.76	429.01	12.43	-62.33
CC(C)C(C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1)[NH+](C)C	REAL300003272097	0	58	0.0	-66.95	399.17	11.58	-55.37
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003272112	1	55	0.0	-64.38	416.49	10.90	-53.48
CCC[N@H+](C)CC(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003272118	0	55	0.0	-66.71	395.84	11.44	-55.27
CCC[N@@H+](C)CC(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003272118	1	55	0.0	-66.77	395.85	11.44	-55.33
C[N@H+](CC(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1)C1CCC1	REAL300003272135	0	56	0.0	-64.09	402.72	12.00	-52.09
C[N@@H+](CC(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1)C1CCC1	REAL300003272135	1	56	0.0	-67.84	409.89	12.23	-55.61
CC(C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1)[NH+]1CCSCC1	REAL300003272147	1	57	0.0	-65.23	413.56	11.96	-53.27
C[N@H+](CC(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1)CC(C)(C)C	REAL300003272148	0	61	0.0	-65.90	424.80	12.41	-53.49
C[N@@H+](CC(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1)CC(C)(C)C	REAL300003272148	1	61	0.0	-65.60	426.17	12.53	-53.07
CC[C@@H](C(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1)[NH+](C)C	REAL300003272151	0	55	0.0	-65.81	388.34	11.06	-54.75
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C(CC(=O)[O-])C3=CC=CC=C3)CC2)C1	REAL300003272153	0	60	0.0	-65.08	424.26	10.37	-54.71
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C(CC(=O)[O-])C3=CC=CC=C3)CC2)C1	REAL300003272153	1	60	0.0	-71.33	421.39	10.53	-60.80
CCCCCC[N@H+](C)CC(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003272173	0	64	0.0	-70.79	467.37	14.00	-56.79
CCCCCC[N@@H+](C)CC(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003272173	1	64	0.0	-67.86	460.34	13.78	-54.08
O=C([O-])CC(C1=CC=CC=C1)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1	REAL300003272179	0	57	0.0	-63.50	393.10	11.31	-52.19
O=C([O-])CC(C1=CC=CC=C1)C1CCN(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC1	REAL300003272186	1	51	0.0	-74.49	391.42	13.39	-61.10
C[N@H+](CC(=O)N1CCC(C(CC(=O)[O-])C2=CC=CC=C2)CC1)C1CCSC1	REAL300003272192	0	57	0.0	-71.49	415.95	12.26	-59.23
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C[N@H+]1CCCC1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003275851	1	43	0.0	-50.12	337.09	7.83	-42.29
C[NH+]1CCC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003275906	0	46	0.0	-62.66	360.42	8.89	-53.77
O=C([O-])C(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)CC1=CC=C(F)C=C1	REAL300003275910	0	49	0.0	-71.19	411.50	9.82	-61.37
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)CC1=CC=C(F)C=C1	REAL300003275929	0	56	0.0	-49.83	419.22	10.97	-38.86
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1C1CCCC1)CC1=CC=C(F)C=C1	REAL300003275929	1	56	0.0	-46.26	413.40	11.04	-35.22
O=C([O-])C(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)CC1=CC=C(F)C=C1	REAL300003275930	0	57	0.0	-60.83	421.03	9.36	-51.47
CC1=[NH+]C=CN1CCCC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003275965	1	47	0.0	-59.60	393.32	10.11	-49.49
O=C([O-])C(CNC(=O)CCCC[NH+]1CCOCC1)CC1=CC=C(F)C=C1	REAL300003275966	1	53	0.0	-67.32	420.62	8.80	-58.52
C[N@@H+]1CCC[C@@H]1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003275971	0	43	0.0	-53.55	335.81	7.78	-45.77
C[N@H+]1CCC[C@@H]1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003275971	1	43	0.0	-53.14	348.25	8.25	-44.89
C[NH+](C)C1(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003275980	0	43	0.0	-49.02	343.11	8.94	-40.08
O=C([O-])C(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)CC1=CC=C(F)C=C1	REAL300003276023	0	53	0.0	-60.23	425.96	11.59	-48.64
O=C([O-])C(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)CC1=CC=C(F)C=C1	REAL300003276023	1	53	0.0	-53.69	417.45	11.78	-41.91
O=C([O-])C(CNC(=O)C1CC[NH+](C2CCSC2)CC1)CC1=CC=C(F)C=C1	REAL300003276024	0	54	0.0	-65.32	422.14	10.84	-54.48
O=C([O-])C(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)CC1=CC=C(F)C=C1	REAL300003276047	0	57	0.0	-59.33	419.67	9.09	-50.24
CCC(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+](CC)CC	REAL300003276051	0	51	0.0	-43.86	375.09	9.30	-34.56
CC(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003276053	0	52	0.0	-49.25	410.82	11.20	-38.05
CC(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003276053	1	52	0.0	-46.70	407.23	11.25	-35.45
C[NH+](C)CC1=CC=C(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300003276082	0	48	0.0	-63.70	386.38	9.30	-54.40
CCC[NH+](CCC)CCCC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276087	0	57	0.0	-56.70	435.06	11.49	-45.21
CC[N@H+](C)C(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300003276088	0	52	0.0	-55.59	409.70	11.14	-44.45
CC[N@@H+](C)C(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300003276088	1	52	0.0	-55.58	409.92	11.18	-44.40
C[N@@H+]1CCOC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003276090	1	44	0.0	-43.76	346.14	7.52	-36.24
C[N@H+]1CCOC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003276090	1	44	0.0	-47.81	352.61	7.50	-40.31
CC[NH+](CC)C(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300003276092	0	55	0.0	-54.36	421.09	11.54	-42.82
CC(C)C1=[NH+]C=CN1CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276101	1	47	0.0	-52.46	388.01	9.92	-42.54
C[NH+](C)C(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300003276106	1	49	0.0	-51.59	403.95	11.28	-40.31
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)CC1=CC=C(F)C=C1	REAL300003276119	0	53	0.0	-65.48	415.41	11.91	-53.57
O=C([O-])C(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)CC1=CC=C(F)C=C1	REAL300003276126	0	56	0.0	-65.04	435.55	12.57	-52.47
C[NH+](C)CC1(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003276130	0	46	0.0	-60.46	366.49	8.94	-51.52
C[NH+](C)CCCCC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276138	0	48	0.0	-65.92	387.76	9.33	-56.59
CC(C)C(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+](C)C	REAL300003276147	0	48	0.0	-45.77	356.71	8.82	-36.95
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)CC1=CC=C(F)C=C1	REAL300003276157	0	56	0.0	-53.05	441.06	12.33	-40.72
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)CC1=CC=C(F)C=C1	REAL300003276157	1	56	0.0	-45.36	423.33	12.21	-33.15
CC1=C(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003276159	1	47	0.0	-69.14	388.21	9.16	-59.98
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)CC1=CC=C(F)C=C1	REAL300003276167	0	56	0.0	-65.98	431.85	12.57	-53.41
O=C([O-])C(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)CC1=CC=C(F)C=C1	REAL300003276179	1	49	0.0	-72.85	405.76	9.28	-63.57
C[NH+](C)CCC1=CC=C(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300003276180	0	52	0.0	-74.42	422.99	11.52	-62.90
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276191	1	45	0.0	-45.88	361.75	8.33	-37.55
CCC[N@H+](C)CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276201	0	45	0.0	-51.09	355.06	8.64	-42.45
CCC[N@@H+](C)CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276201	1	45	0.0	-54.82	361.58	8.60	-46.22
C[N@H+](CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])C1CCC1	REAL300003276223	0	46	0.0	-46.24	358.67	9.26	-36.98
C[N@@H+](CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])C1CCC1	REAL300003276223	1	46	0.0	-48.94	361.96	9.20	-39.74
CC(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCSCC1	REAL300003276247	1	47	0.0	-49.94	369.41	9.07	-40.87
C[N@H+](CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])CC(C)(C)C	REAL300003276251	0	51	0.0	-54.19	390.22	9.60	-44.59
C[N@@H+](CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])CC(C)(C)C	REAL300003276251	1	51	0.0	-47.94	382.23	9.83	-38.11
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276253	0	52	0.0	-58.37	421.48	11.64	-46.73
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276253	1	52	0.0	-54.64	414.97	11.67	-42.97
COCCOCC[N@H+](C)CCC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276254	0	56	0.0	-55.04	440.57	7.89	-47.15
COCCOCC[N@@H+](C)CCC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276254	1	56	0.0	-62.33	450.57	7.83	-54.50
CC[C@@H](C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+](C)C	REAL300003276258	0	45	0.0	-48.23	346.07	8.25	-39.98
C[N@@H+]1CCCC(O)(CC(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003276260	0	50	0.0	-60.34	383.02	7.36	-52.98
C[N@H+]1CCCC(O)(CC(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003276260	1	50	0.0	-49.47	382.74	7.63	-41.84
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)CC1=CC=C(F)C=C1	REAL300003276281	1	55	0.0	-53.84	429.52	10.63	-43.21
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)CC1=CC=C(F)C=C1	REAL300003276281	1	55	0.0	-49.00	418.34	10.47	-38.53
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)CC1=CC=C(F)C=C1	REAL300003276282	1	55	0.0	-58.69	426.46	10.33	-48.36
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)CC1=CC=C(F)C=C1	REAL300003276282	1	55	0.0	-56.41	426.49	10.42	-45.99
CCCCCC[N@H+](C)CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276284	0	54	0.0	-55.82	426.11	10.95	-44.87
CCCCCC[N@@H+](C)CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276284	1	54	0.0	-55.82	426.08	10.95	-44.87
O=C([O-])C(CNC(=O)C12CCC[NH+]1CCC2)CC1=CC=C(F)C=C1	REAL300003276294	0	47	0.0	-48.43	367.01	9.18	-39.25
O=C([O-])C(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)CC1=CC=C(F)C=C1	REAL300003276302	1	41	0.0	-67.36	352.79	10.70	-56.66
C[N@H+](CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])C1CCSC1	REAL300003276314	0	47	0.0	-57.89	382.20	9.46	-48.43
C[N@@H+](CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])C1CCSC1	REAL300003276314	1	47	0.0	-59.40	381.69	9.42	-49.98
CC(C)[NH+]1CCN(CCC(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003276331	0	57	0.0	-60.75	431.19	8.41	-52.34
CC(C)N1CC[NH+](CCC(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003276331	1	57	0.0	-55.76	427.50	8.20	-47.56
CC(C)[NH+]1CCN(CCCC(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003276332	0	60	0.0	-63.09	459.24	9.18	-53.91
CC(C)N1CC[NH+](CCCC(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003276332	1	60	0.0	-57.16	445.60	9.04	-48.12
O=C([O-])C(CNC(=O)C1CCCC2CCC[N@@H+]21)CC1=CC=C(F)C=C1	REAL300003276333	0	50	0.0	-43.07	377.03	10.11	-32.96
O=C([O-])C(CNC(=O)C1CCCC2CCC[N@H+]21)CC1=CC=C(F)C=C1	REAL300003276333	1	50	0.0	-49.80	386.85	10.04	-39.76
C[NH+](C)CCN1C=C(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300003276335	0	49	0.0	-73.27	406.66	8.68	-64.59
O=C([O-])C(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)CC1=CC=C(F)C=C1	REAL300003276346	0	55	0.0	-64.36	438.47	10.62	-53.74
O=C([O-])C(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)CC1=CC=C(F)C=C1	REAL300003276346	1	55	0.0	-57.16	428.42	10.60	-46.56
CC(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003276351	1	53	0.0	-53.73	417.80	11.71	-42.02
CC(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003276351	1	53	0.0	-54.57	417.39	11.76	-42.81
CCCC(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+](C)C	REAL300003276370	0	48	0.0	-45.76	364.40	9.05	-36.71
O=C([O-])C(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)CC1=CC=C(F)C=C1	REAL300003276371	0	56	0.0	-60.58	437.48	12.50	-48.08
O=C([O-])C(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)CC1=CC=C(F)C=C1	REAL300003276371	1	56	0.0	-65.51	447.21	12.43	-53.08
C[NH+](C)CCN1C=CC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300003276386	0	49	0.0	-75.50	407.07	8.70	-66.80
C[NH+](C)CCN1N=CC=C1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276387	0	49	0.0	-59.38	401.50	8.70	-50.68
C[C@@H]1[C@H](C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300003276390	0	46	0.0	-62.82	359.88	8.42	-54.40
C[C@@H]1[C@H](C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300003276390	1	46	0.0	-52.60	355.29	8.52	-44.08
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276392	1	50	0.0	-55.21	408.34	10.40	-44.81
CC[C@@H]1[C@@H](C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300003276395	0	49	0.0	-59.93	379.35	8.89	-51.04
CC[C@@H]1[C@@H](C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300003276395	1	49	0.0	-62.44	384.23	9.24	-53.20
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276398	1	45	0.0	-43.08	359.13	9.02	-34.06
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276398	1	45	0.0	-47.68	368.36	9.51	-38.17
CC1C[N@H+](C)CC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300003276404	1	47	0.0	-66.14	374.21	8.36	-57.78
CC1C[N@@H+](C)CC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300003276404	1	47	0.0	-47.77	373.80	8.22	-39.55
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)CC1=CC=C(F)C=C1	REAL300003276411	1	52	0.0	-51.27	423.22	10.27	-41.00
O=C([O-])C(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)CC1=CC=C(F)C=C1	REAL300003276411	1	52	0.0	-51.98	416.23	10.09	-41.89
O=C([O-])C(CNC(=O)C[NH+]1CCCC1)CC1=CC=C(F)C=C1	REAL300003276414	0	43	0.0	-54.33	346.30	8.22	-46.11
CC1=[NH+]C=CN1CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276416	1	41	0.0	-47.30	341.88	8.89	-38.41
CC(C[NH+]1CCOCC1)C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276418	0	50	0.0	-60.30	393.66	7.92	-52.38
CC1CC[NH+](CC(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003276437	0	49	0.0	-54.43	385.31	9.69	-44.74
CC[N@@H+]1CCOC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003276448	1	47	0.0	-60.51	370.58	8.14	-52.37
CC[N@H+]1CCOC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003276448	1	47	0.0	-54.73	371.00	8.33	-46.40
O=C([O-])C(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)CC1=CC=C(F)C=C1	REAL300003276485	0	56	0.0	-53.04	417.94	11.19	-41.85
O=C([O-])C(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)CC1=CC=C(F)C=C1	REAL300003276485	1	56	0.0	-59.05	427.68	11.08	-47.97
C[N@@H+]1CCCC1CCC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276491	0	49	0.0	-56.90	379.83	9.77	-47.13
C[N@H+]1CCCC1CCC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276491	1	49	0.0	-62.47	384.30	9.23	-53.24
O=C([O-])C(CNC(=O)C12CCC[NH+](CCC1)C2)CC1=CC=C(F)C=C1	REAL300003276503	0	50	0.0	-64.76	379.78	9.40	-55.36
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276505	0	47	0.0	-59.93	370.75	5.29	-54.64
C[N@H+]1CC(O)CC1(C)C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276505	1	47	0.0	-42.80	360.16	5.36	-37.44
O=C([O-])C(CNC(=O)C1CCC2CCCC[N@@H+]21)CC1=CC=C(F)C=C1	REAL300003276506	0	50	0.0	-47.33	383.76	10.17	-37.16
O=C([O-])C(CNC(=O)C1CCC2CCCC[N@H+]21)CC1=CC=C(F)C=C1	REAL300003276506	1	50	0.0	-50.76	390.19	10.14	-40.62
CC(C)(C[NH+]1CCOCC1)C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276513	0	53	0.0	-54.80	393.30	8.35	-46.45
CC[NH+](CC)CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276529	0	45	0.0	-53.89	358.49	8.56	-45.33
CC(C)[NH+]1CCC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003276531	0	52	0.0	-59.33	391.08	9.85	-49.48
O=C([O-])C(CNC(=O)C12CC[NH+](CC1)C2)CC1=CC=C(F)C=C1	REAL300003276612	0	44	0.0	-56.58	343.94	7.81	-48.77
CCC(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+](C)C	REAL300003276615	0	45	0.0	-51.90	353.05	8.19	-43.71
O=C([O-])C(CNC(=O)C12CC[N@H+](C1)CCC2)CC1=CC=C(F)C=C1	REAL300003276623	0	47	0.0	-58.67	364.27	8.42	-50.25
O=C([O-])C(CNC(=O)C12CC[N@@H+](C1)CCC2)CC1=CC=C(F)C=C1	REAL300003276623	1	47	0.0	-63.78	363.93	8.42	-55.36
CC1CCC(C)[NH+]1CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276667	0	49	0.0	-44.90	369.48	9.16	-35.74
C[NH+](C)CC1=CC=CC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300003276668	0	49	0.0	-67.81	394.03	10.73	-57.08
O=C([O-])C(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)CC1=CC=C(F)C=C1	REAL300003276669	0	56	0.0	-54.88	433.58	12.45	-42.43
O=C([O-])C(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)CC1=CC=C(F)C=C1	REAL300003276669	1	56	0.0	-59.89	443.45	12.38	-47.51
C[NH+](C)C1(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CCC1	REAL300003276705	0	46	0.0	-57.74	356.57	8.36	-49.38
C#CC[NH+]1CCC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003276732	0	48	0.0	-62.39	385.12	10.04	-52.35
CCC[N@@H+]1CCCCC1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276734	0	52	0.0	-54.93	394.23	10.02	-44.91
CCC[N@H+]1CCCCC1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276734	1	52	0.0	-49.88	397.11	10.21	-39.67
C[NH+](C)CC1=CC=CC=C1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276735	0	49	0.0	-51.21	383.53	11.04	-40.17
CC[NH+]1CCN(CCC(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003276737	0	54	0.0	-62.60	413.94	7.85	-54.75
CCN1CC[NH+](CCC(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003276737	1	54	0.0	-59.58	421.00	7.85	-51.73
CC(C)[N@H+](C)CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276738	0	45	0.0	-46.16	346.87	8.47	-37.69
CC(C)[N@@H+](C)CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276738	1	45	0.0	-48.66	350.25	8.43	-40.23
CC(C)C(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300003276739	0	55	0.0	-51.77	411.43	10.65	-41.12
C[NH+](C)C(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])C1=CC=CC=C1	REAL300003276740	1	49	0.0	-51.87	390.52	10.72	-41.15
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276748	1	50	0.0	-55.08	407.79	10.35	-44.73
C[NH+](C)CC1=C(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])OC2=CC=CC=C21	REAL300003276750	0	52	0.0	-59.73	421.15	11.07	-48.66
O=C([O-])C(CNC(=O)C1CCC[N@@H+]1C1CCCC1)CC1=CC=C(F)C=C1	REAL300003276756	0	53	0.0	-49.68	390.47	10.54	-39.14
O=C([O-])C(CNC(=O)C1CCC[N@H+]1C1CCCC1)CC1=CC=C(F)C=C1	REAL300003276756	1	53	0.0	-51.56	393.39	10.65	-40.91
CC[N@H+](CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])C1CC1	REAL300003276758	0	46	0.0	-48.10	364.43	9.26	-38.84
CC[N@@H+](CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])C1CC1	REAL300003276758	1	46	0.0	-52.29	368.72	9.22	-43.07
CC(C)C(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300003276784	1	59	0.0	-49.30	448.30	10.19	-39.11
CC(C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300003276785	0	52	0.0	-46.47	386.93	10.01	-36.46
C[N@@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276788	0	43	0.0	-54.52	348.14	8.22	-46.30
C[N@H+]1CCC[C@H]1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276788	1	43	0.0	-51.31	342.38	7.74	-43.57
CC(C)(C)[NH2+]CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276871	0	45	0.0	-53.86	361.34	6.93	-46.93
CC[NH+](CC)CC1=CC=C(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300003276873	0	52	0.0	-58.33	412.79	10.44	-47.89
O=C([O-])C(CNC(=O)CCCC[NH+]1CCCC1)CC1=CC=C(F)C=C1	REAL300003276874	0	52	0.0	-64.30	413.68	10.51	-53.79
CC1=CC=C(N2CCC(C(=O)NCC(CC3=CC=C(F)C=C3)C(=O)[O-])CC2)[NH+]=C1	REAL300003276876	1	55	0.0	-61.17	436.39	10.27	-50.90
C[N@H+](CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300003276877	1	49	0.0	-50.75	389.10	10.87	-39.88
C[N@@H+](CC(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300003276877	1	49	0.0	-53.42	392.54	10.82	-42.60
CC(C)[C@@H](C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+](C)C	REAL300003276887	0	48	0.0	-50.21	357.36	9.26	-40.95
O=C([O-])C(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)CC1=CC=C(F)C=C1	REAL300003276905	1	44	0.0	-67.47	371.75	8.71	-58.76
C[NH+](C)CC1=CC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])=NO1	REAL300003276932	1	45	0.0	-69.17	370.56	8.24	-60.93
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276936	0	56	0.0	-57.02	433.96	12.28	-44.74
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276936	1	56	0.0	-63.33	444.34	12.25	-51.08
CC(C)[N@@H+]1CCCC1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276949	0	49	0.0	-42.38	362.86	9.39	-32.99
CC(C)[N@H+]1CCCC1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003276949	1	49	0.0	-52.59	381.14	9.32	-43.27
C[NH+]1CCC(OCC(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003276972	0	50	0.0	-68.72	402.49	9.29	-59.43
O=C([O-])C(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)CC1=CC=C(F)C=C1	REAL300003276976	0	53	0.0	-60.09	417.53	10.85	-49.24
CCC[N@@H+]1CCCC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003277157	0	52	0.0	-53.14	396.20	10.30	-42.84
CCC[N@H+]1CCCC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003277157	1	52	0.0	-54.58	396.19	10.29	-44.29
CC(C)C[N@@H+]1CCCC1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003277187	0	52	0.0	-52.80	407.26	10.37	-42.43
CC(C)C[N@H+]1CCCC1C(=O)NCC(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003277187	1	52	0.0	-53.45	407.10	10.38	-43.07
O=C([O-])C(CNC(=O)C[NH+]1CCC(CO)CC1)CC1=CC=C(F)C=C1	REAL300003277188	0	50	0.0	-48.94	386.23	6.46	-42.48
CC(C)[N@@H+]1CCCC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003277407	0	52	0.0	-57.51	401.23	9.99	-47.52
CC(C)[N@H+]1CCCC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003277407	1	52	0.0	-54.52	394.99	10.19	-44.33
C[N@@H+]1CC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003277408	0	46	0.0	-54.20	385.94	9.00	-45.20
C[N@H+]1CC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003277408	1	46	0.0	-54.76	379.71	8.71	-46.05
CC1=C(C)[NH+]=C(CCC(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])N1	REAL300003277433	1	47	0.0	-55.30	392.58	8.48	-46.82
C[NH+](C)CCC1=CC=CC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300003277908	0	52	0.0	-71.92	423.19	11.52	-60.40
C[NH+](C)CCOC1=CC=C(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300003277915	0	53	0.0	-66.07	420.38	10.56	-55.51
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003278050	0	46	0.0	-64.60	371.90	8.92	-55.68
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003278054	0	52	0.0	-54.35	394.72	9.88	-44.47
CC(C)C[N@@H+]1CCCC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003278119	0	55	0.0	-49.52	407.32	11.19	-38.33
CC(C)C[N@H+]1CCCC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003278119	1	55	0.0	-49.52	407.32	11.19	-38.33
CC[N@@H+]1CCCC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003278120	0	49	0.0	-49.29	368.44	9.74	-39.55
CC[N@H+]1CCCC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003278120	1	49	0.0	-49.29	368.44	9.74	-39.55
C[N@@H+]1CCCC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003278125	0	46	0.0	-50.23	354.18	9.05	-41.18
C[N@H+]1CCCC(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003278125	1	46	0.0	-50.23	354.18	9.05	-41.18
CN(C)CC1=CC=C(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300003278127	0	46	0.0	-66.18	385.84	8.90	-57.28
C[NH+](C)CC1=CC=C(C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300003278127	1	46	0.0	-66.18	385.84	8.90	-57.28
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003278133	0	55	0.0	-67.74	412.39	10.32	-57.42
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003278133	1	55	0.0	-67.74	412.39	10.32	-57.42
O=C([O-])C(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)CC1=CC=C(F)C=C1	REAL300003278136	0	48	0.0	-46.80	377.69	10.50	-36.30
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C(OCC(F)(F)F)=C1	REAL300003279043	0	48	0.0	-73.25	387.51	9.14	-64.11
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C(=O)[O-])C=C3OCC(F)(F)F)CN12	REAL300003279059	1	46	0.0	-65.86	386.22	9.01	-56.85
C[NH+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279092	1	37	0.0	-72.81	318.35	6.29	-66.52
CC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)N1CC[NH+](C)CC1	REAL300003279093	1	49	0.0	-71.69	389.52	6.17	-65.52
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279116	1	44	0.0	-66.51	360.42	7.90	-58.61
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279116	1	44	0.0	-70.03	350.59	7.70	-62.33
C[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)CC1	REAL300003279142	0	44	0.0	-75.95	363.53	7.94	-68.01
C[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279183	1	41	0.0	-67.02	344.87	7.23	-59.79
C[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279183	1	41	0.0	-68.80	338.72	6.84	-61.96
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279234	1	45	0.0	-69.57	389.30	9.19	-60.38
C[C@@H](C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)[NH+](C)C	REAL300003279237	0	40	0.0	-69.01	336.69	6.71	-62.30
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279238	1	41	0.0	-70.26	338.74	6.82	-63.44
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279238	1	41	0.0	-66.47	344.76	7.22	-59.25
C[C@H](C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)[NH+](C)C	REAL300003279241	0	40	0.0	-69.79	335.80	6.68	-63.11
CCC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)[NH+](CC)CC	REAL300003279289	0	49	0.0	-64.43	381.54	8.33	-56.10
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)C=N1	REAL300003279300	0	46	0.0	-76.19	393.10	7.92	-68.27
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279310	1	45	0.0	-66.39	383.99	9.01	-57.38
C[NH+](C)CC1(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)CC1	REAL300003279317	0	44	0.0	-73.38	363.47	7.99	-65.39
C[NH+](C)CCCCC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279321	0	46	0.0	-74.17	384.52	8.41	-65.76
CCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279345	0	43	0.0	-72.28	357.57	7.70	-64.58
CCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279345	1	43	0.0	-71.63	358.40	7.70	-63.93
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)C1CCC1	REAL300003279356	0	44	0.0	-69.46	364.56	8.28	-61.18
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)C1CCC1	REAL300003279356	1	44	0.0	-69.20	365.28	8.26	-60.94
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)CC(C)(C)C	REAL300003279368	0	49	0.0	-71.51	386.69	8.71	-62.80
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)CC(C)(C)C	REAL300003279368	1	49	0.0	-71.41	388.14	8.84	-62.57
CC[C@@H](C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)[NH+](C)C	REAL300003279370	0	43	0.0	-67.62	348.97	7.31	-60.31
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279382	0	52	0.0	-72.80	422.90	10.05	-62.75
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279382	1	52	0.0	-72.78	422.90	10.04	-62.74
O=C([O-])C1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(OCC(F)(F)F)=C1	REAL300003279391	1	39	0.0	-76.55	349.61	9.79	-66.76
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)C1CCSC1	REAL300003279395	1	45	0.0	-77.01	377.83	8.53	-68.48
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)C1CCSC1	REAL300003279395	1	45	0.0	-76.58	377.60	8.53	-68.05
O=C([O-])C1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C(OCC(F)(F)F)=C1	REAL300003279406	0	48	0.0	-63.02	383.63	9.10	-53.92
O=C([O-])C1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C(OCC(F)(F)F)=C1	REAL300003279406	1	48	0.0	-68.34	375.35	8.85	-59.49
C[C@@H]1[C@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)CC[N@@H+]1C	REAL300003279425	0	44	0.0	-73.07	356.79	7.37	-65.70
C[C@@H]1[C@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)CC[N@H+]1C	REAL300003279425	1	44	0.0	-73.27	361.26	7.56	-65.71
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279426	1	48	0.0	-66.92	404.28	9.48	-57.44
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)CC[N@@H+]1C	REAL300003279428	0	47	0.0	-73.56	376.20	7.97	-65.59
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)CC[N@H+]1C	REAL300003279428	1	47	0.0	-73.21	380.48	8.40	-64.81
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)O1	REAL300003279432	1	45	0.0	-79.32	370.48	7.34	-71.98
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)O1	REAL300003279432	1	45	0.0	-81.27	369.96	6.93	-74.34
O=C([O-])C1=CC=C(NC(=O)C[NH+]2CCCC2)C(OCC(F)(F)F)=C1	REAL300003279437	1	41	0.0	-70.62	343.14	7.31	-63.31
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279439	1	39	0.0	-67.38	347.77	7.89	-59.49
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279441	1	48	0.0	-74.31	389.44	7.01	-67.30
CC1CC[NH+](CC(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)CC1	REAL300003279458	1	47	0.0	-71.89	381.75	8.78	-63.11
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)C1	REAL300003279464	1	45	0.0	-77.68	374.63	7.28	-70.40
CC[N@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)C1	REAL300003279464	1	45	0.0	-78.31	373.17	7.27	-71.04
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279484	0	47	0.0	-74.03	386.55	8.77	-65.26
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279484	1	47	0.0	-71.19	380.41	8.29	-62.90
O=C([O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C(OCC(F)(F)F)=C1	REAL300003279492	0	48	0.0	-65.52	385.84	9.17	-56.35
O=C([O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C(OCC(F)(F)F)=C1	REAL300003279492	1	48	0.0	-67.37	378.59	8.78	-58.59
CC[NH+](CC)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279500	0	43	0.0	-69.57	354.78	7.61	-61.96
CCC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)[NH+](C)C	REAL300003279544	0	43	0.0	-69.75	350.97	7.43	-62.32
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279571	0	47	0.0	-67.73	374.96	8.18	-59.55
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)=C1	REAL300003279572	0	47	0.0	-74.31	397.31	9.78	-64.53
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)CC1	REAL300003279601	0	46	0.0	-76.96	387.33	9.09	-67.87
CC(C)[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279602	0	43	0.0	-68.59	353.60	7.50	-61.09
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279602	1	43	0.0	-69.25	352.76	7.49	-61.76
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279605	1	48	0.0	-66.44	403.75	9.42	-57.02
CC[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)C1CC1	REAL300003279610	0	44	0.0	-67.28	367.77	8.32	-58.96
CC[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)C1CC1	REAL300003279610	1	44	0.0	-67.52	362.89	8.09	-59.43
CC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)[NH+]1CCCCCC1	REAL300003279623	0	50	0.0	-68.23	384.29	8.98	-59.25
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279626	1	41	0.0	-68.04	344.70	7.33	-60.71
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279626	1	41	0.0	-70.48	338.44	6.82	-63.66
O=C([O-])C1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C(OCC(F)(F)F)=C1	REAL300003279662	0	50	0.0	-72.93	409.66	9.59	-63.34
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)CC1=CC=CC=C1	REAL300003279664	1	47	0.0	-76.00	395.83	9.89	-66.11
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F)CC1=CC=CC=C1	REAL300003279664	1	47	0.0	-76.68	395.04	9.88	-66.80
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)=NO1	REAL300003279689	1	43	0.0	-78.77	378.28	7.32	-71.45
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279698	0	47	0.0	-67.39	371.37	8.29	-59.10
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C=C1OCC(F)(F)F	REAL300003279698	1	47	0.0	-68.03	370.95	8.33	-59.70
C[NH+]1CCC(OCC(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)CC1	REAL300003279708	0	48	0.0	-77.39	399.11	8.27	-69.12
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)C1	REAL300003279783	0	50	0.0	-65.49	396.89	9.50	-55.99
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)C1	REAL300003279783	1	50	0.0	-71.65	401.83	9.29	-62.36
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)C1	REAL300003279880	0	50	0.0	-64.57	392.03	9.27	-55.30
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)C1	REAL300003279880	1	50	0.0	-64.54	392.03	9.27	-55.27
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)N1	REAL300003279893	1	45	0.0	-67.52	388.57	7.56	-59.96
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)C1	REAL300003280163	0	44	0.0	-72.59	368.71	8.01	-64.58
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)CC1	REAL300003280167	0	50	0.0	-66.94	390.41	8.98	-57.96
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(C(=O)[O-])C=C3OCC(F)(F)F)=CN12	REAL300003280169	0	42	0.0	-67.99	370.76	9.56	-58.43
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)C1	REAL300003280199	0	47	0.0	-71.03	380.33	8.55	-62.48
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)C1	REAL300003280199	1	47	0.0	-65.15	375.37	8.75	-56.40
C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)C1	REAL300003280204	0	44	0.0	-66.00	356.44	8.09	-57.91
C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)C1	REAL300003280204	1	44	0.0	-72.80	362.69	7.90	-64.90
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCC(F)(F)F)O1	REAL300003280206	1	44	0.0	-76.92	382.65	8.00	-68.92
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(OCC(F)(F)F)=C1	REAL300003280213	1	46	0.0	-68.00	376.00	8.90	-59.10
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(OCC(F)(F)F)=C1	REAL300003280213	1	46	0.0	-69.02	376.20	9.40	-59.62
O=C([O-])CC1CCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003281177	0	50	0.0	-80.42	368.61	11.79	-68.63
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC3CC(=O)[O-])CC2)=CS1	REAL300003282371	1	49	0.0	-81.42	376.33	9.60	-71.82
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300003282413	0	53	0.0	-81.03	408.94	10.48	-70.55
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC2CC(=O)[O-])=C1	REAL300003282418	0	53	0.0	-85.08	401.64	13.60	-71.48
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC2CC(=O)[O-])=C1	REAL300003282418	1	53	0.0	-83.47	401.59	13.60	-69.87
O=C([O-])CC1CCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003282524	0	43	0.0	-82.51	341.40	7.91	-74.60
O=C([O-])CC1CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003282542	0	51	0.0	-85.72	359.17	8.87	-76.85
CC[N@H+](CC1=CC=C(C(=O)N2CCCC2CC(=O)[O-])C=C1)C(C)C	REAL300003282560	0	52	0.0	-94.02	365.56	11.07	-82.95
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC2CC(=O)[O-])C=C1)C(C)C	REAL300003282560	1	52	0.0	-90.64	366.06	11.08	-79.56
O=C([O-])CC1CCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003282575	0	47	0.0	-74.31	355.67	10.02	-64.29
O=C([O-])CC1CCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003282575	1	47	0.0	-73.86	355.16	9.95	-63.91
O=C([O-])CC1CCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003282576	0	48	0.0	-82.60	351.62	10.50	-72.10
O=C([O-])CC1CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003282596	0	51	0.0	-52.26	348.01	8.08	-44.18
CC(C(=O)N1CCCC1CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003282599	0	46	0.0	-53.26	336.22	10.52	-42.74
CC(C(=O)N1CCCC1CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003282599	1	46	0.0	-65.59	342.36	10.36	-55.23
O=C([O-])CC1CCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003282605	0	53	0.0	-66.67	387.61	11.60	-55.07
O=C([O-])CC1CCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003282605	1	53	0.0	-77.63	394.90	11.48	-66.15
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003282640	0	47	0.0	-94.55	349.89	11.17	-83.38
O=C([O-])CC1CCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003282644	0	50	0.0	-80.00	366.48	11.85	-68.15
CCC(C(=O)N1CCCC1CC(=O)[O-])[N@@H+]1CCOC(CC)C1	REAL300003282647	1	50	0.0	-67.09	349.99	7.49	-59.60
CCC(C(=O)N1CCCC1CC(=O)[O-])[N@H+]1CCOC(CC)C1	REAL300003282647	1	50	0.0	-56.57	352.54	8.73	-47.84
CCN1CCC([NH+]2CCC(C(=O)N3CCCC3CC(=O)[O-])CC2)CC1	REAL300003282650	0	58	0.0	-80.08	403.90	8.21	-71.87
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC3CC(=O)[O-])C=C2)CC(C)O1	REAL300003282655	1	54	0.0	-96.87	399.90	10.91	-85.96
O=C([O-])CC1CCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003282665	1	51	0.0	-86.40	382.03	10.15	-76.25
O=C([O-])CC1CCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003282665	1	51	0.0	-83.28	388.80	10.21	-73.07
CC1=C(C(=O)N2CCCC2CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003282678	1	41	0.0	-87.31	319.49	8.35	-78.96
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003282681	0	50	0.0	-94.57	366.64	11.88	-82.69
O=C([O-])CC1CCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003282691	1	43	0.0	-79.01	337.24	8.04	-70.97
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300003282692	0	46	0.0	-99.15	347.45	10.86	-88.29
O=C([O-])CC1CCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003282695	1	48	0.0	-84.16	363.57	9.42	-74.74
O=C([O-])CC1CCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003282695	1	48	0.0	-84.63	364.05	9.44	-75.19
CC(C(=O)N1CCCC1CC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003282703	0	56	0.0	-67.61	411.48	12.12	-55.49
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1CC(=O)[O-]	REAL300003282727	0	46	0.0	-72.03	354.50	10.09	-61.94
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1CC(=O)[O-]	REAL300003282727	1	46	0.0	-72.40	354.02	10.13	-62.27
COCCOCC[N@H+](C)CCC(=O)N1CCCC1CC(=O)[O-]	REAL300003282728	0	50	0.0	-74.05	382.96	6.36	-67.69
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1CC(=O)[O-]	REAL300003282728	1	50	0.0	-75.73	383.07	6.37	-69.36
O=C([O-])CC1CCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003282733	0	55	0.0	-79.81	408.67	9.83	-69.98
CC(C)[NH+]1CCN(CCC(=O)N2CCCC2CC(=O)[O-])CC1	REAL300003282757	0	51	0.0	-75.45	370.24	6.91	-68.54
CC(C)N1CC[NH+](CCC(=O)N2CCCC2CC(=O)[O-])CC1	REAL300003282757	1	51	0.0	-74.42	369.63	6.88	-67.54
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC2CC(=O)[O-])CC1	REAL300003282758	0	54	0.0	-73.47	386.62	7.34	-66.13
CC(C)N1CC[NH+](CCCC(=O)N2CCCC2CC(=O)[O-])CC1	REAL300003282758	1	54	0.0	-75.61	388.24	7.50	-68.11
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC3CC(=O)[O-])CC2)=C1	REAL300003282762	0	55	0.0	-78.33	408.58	9.68	-68.65
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CC(C(=O)N1CCCC1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003282769	0	47	0.0	-69.09	346.20	9.89	-59.20
CC(C(=O)N1CCCC1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003282769	1	47	0.0	-68.31	345.65	9.88	-58.43
CC(C(=O)N1CCCC1CC(=O)[O-])[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300003282771	1	52	0.0	-71.93	386.05	8.78	-63.15
O=C([O-])CC1CCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003282784	0	50	0.0	-79.22	377.41	10.87	-68.35
O=C([O-])CC1CCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003282784	1	50	0.0	-79.40	380.75	10.94	-68.46
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC2CC(=O)[O-])=NN1	REAL300003282794	1	44	0.0	-82.30	337.46	6.99	-75.31
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC2CC(=O)[O-])=NN1	REAL300003282794	1	44	0.0	-82.05	337.82	6.98	-75.07
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C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC3CC(=O)[O-])=C2)CC1	REAL300003282838	0	52	0.0	-79.61	383.60	9.42	-70.19
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC3CC(=O)[O-])C=C2)CC1	REAL300003282839	0	52	0.0	-93.88	383.55	9.45	-84.43
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC3CC(=O)[O-])C=C2)CC1	REAL300003282839	1	52	0.0	-95.42	383.04	9.33	-86.09
O=C([O-])CC1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003282890	0	50	0.0	-69.06	365.09	10.73	-58.33
O=C([O-])CC1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003282890	1	50	0.0	-59.27	361.13	11.86	-47.41
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3CC(=O)[O-])=CC=C1N2	REAL300003282965	1	48	0.0	-91.03	360.03	10.31	-80.72
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3CC(=O)[O-])=CC=C1N2	REAL300003282965	1	48	0.0	-90.53	359.96	10.31	-80.22
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2CC(=O)[O-])O1	REAL300003283003	0	46	0.0	-80.08	351.82	8.85	-71.23
CC1=CC=C(N2CCC(C(=O)N3CCCC3CC(=O)[O-])CC2)[NH+]=C1	REAL300003283005	1	49	0.0	-79.32	361.69	9.69	-69.63
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC3CC(=O)[O-])C=C2)CC1	REAL300003283008	0	55	0.0	-84.60	396.03	9.10	-75.50
O=C([O-])CC1CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003283015	1	38	0.0	-84.63	304.48	7.94	-76.69
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1CC(=O)[O-]	REAL300003283039	0	50	0.0	-79.89	374.84	11.91	-67.98
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1CC(=O)[O-]	REAL300003283039	1	50	0.0	-81.68	376.72	10.63	-71.05
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300003283054	0	51	0.0	-85.41	396.11	10.16	-75.25
O=C([O-])CC1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003283066	0	47	0.0	-81.80	357.83	9.29	-72.51
C[N@@H+]1CC(C(=O)N2CCCC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300003283286	0	40	0.0	-45.05	293.81	6.99	-38.06
C[N@H+]1CC(C(=O)N2CCCC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300003283286	1	40	0.0	-78.25	314.21	7.22	-71.03
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC2CC(=O)[O-])=C1	REAL300003283555	0	46	0.0	-87.38	347.41	10.84	-76.54
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300003283558	0	47	0.0	-92.49	354.76	9.82	-82.67
O=C([O-])CC1CCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003283616	0	53	0.0	-76.25	394.59	11.67	-64.58
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC3CC(=O)[O-])C=C2)CCO1	REAL300003283618	1	51	0.0	-96.13	372.15	10.13	-86.00
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC3CC(=O)[O-])C=C2)CCO1	REAL300003283618	1	51	0.0	-96.71	372.23	10.17	-86.54
O=C([O-])C1=CC=C2CN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)CC2=C1	REAL300003284960	0	51	0.0	-88.40	399.04	12.22	-76.18
O=C([O-])C1=CC=C2CN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CC2=C1	REAL300003285695	0	48	0.0	-76.65	374.54	11.17	-65.48
O=C([O-])C1=CC=C2CN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CC2=C1	REAL300003285695	1	48	0.0	-78.85	378.24	11.56	-67.29
O=C([O-])C1=CC=C2CN(C(=O)C3CCC[N@@H+]3CC3=CC=C(Cl)C=C3)CC2=C1	REAL300003286546	1	48	0.0	-83.43	396.16	12.14	-71.29
O=C([O-])C1=CC=C2CN(C(=O)C3CCC[N@H+]3CC3=CC=C(Cl)C=C3)CC2=C1	REAL300003286546	1	48	0.0	-80.04	391.29	11.69	-68.35
O=C([O-])C1=CC=C2CN(C(=O)C3CC[NH+](C4CC4)CC3)CC2=C1	REAL300003286626	0	45	0.0	-81.54	347.38	9.85	-71.69
O=C([O-])C1=CC=C2CN(C(=O)C3CCC[N@@H+]3C3CC3)CC2=C1	REAL300003286657	0	42	0.0	-77.75	329.19	9.05	-68.70
O=C([O-])C1=CC=C2CN(C(=O)C3CCC[N@H+]3C3CC3)CC2=C1	REAL300003286657	1	42	0.0	-77.17	327.40	8.92	-68.25
CC1=[NH+]C=C2CCC(C(=O)N3CC4=CC=C(C(=O)[O-])C=C4C3)CN12	REAL300003286663	1	43	0.0	-66.72	346.09	9.70	-57.02
O=C([O-])C1=CC=C2CN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)CC2=C1	REAL300003286664	0	51	0.0	-77.02	388.04	11.49	-65.53
CC1=NC(C[NH+]2CCC(C(=O)N3CC4=CC=C(C(=O)[O-])C=C4C3)CC2)=CS1	REAL300003286740	1	50	0.0	-87.10	406.29	9.97	-77.13
CC(C(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1)N1CC[NH+](C)CC1	REAL300003286741	1	46	0.0	-80.30	353.77	7.02	-73.28
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300003286826	0	54	0.0	-81.81	432.08	11.90	-69.91
CC1(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003286839	0	54	0.0	-77.07	401.15	12.17	-64.90
O=C([O-])C1=CC=C2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2=C1	REAL300003286897	0	36	0.0	-80.86	312.57	10.49	-70.37
C[NH+](C)CC1(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)CCCCC1	REAL300003286928	0	50	0.0	-81.62	350.35	10.28	-71.34
C[N@H+](CCC(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1)C1CCCCC1	REAL300003286932	0	50	0.0	-83.21	376.43	10.73	-72.48
C[N@@H+](CCC(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1)C1CCCCC1	REAL300003286932	1	50	0.0	-83.19	376.43	10.75	-72.44
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O=C([O-])C1=CC=C2CN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CC2=C1	REAL300003287040	0	51	0.0	-73.52	373.79	10.85	-62.67
O=C([O-])C1=CC=C2CN(C(=O)C3CCCC[N@H+]3C3CCCC3)CC2=C1	REAL300003287040	1	51	0.0	-74.66	366.64	10.71	-63.95
O=C([O-])C1=CC=C2CN(C(=O)C3CCC([NH+]4CCOCC4)CC3)CC2=C1	REAL300003287041	0	52	0.0	-72.82	380.10	9.22	-63.60
CC1=[NH+]C=CN1CCCC(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300003287074	1	42	0.0	-77.69	349.00	10.05	-67.64
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CC[N@H+](CC1=CC=C(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1)C(C)C	REAL300003287077	0	53	0.0	-83.59	395.67	11.60	-71.99
CC[N@@H+](CC1=CC=C(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1)C(C)C	REAL300003287077	1	53	0.0	-83.84	389.10	11.29	-72.55
O=C([O-])C1=CC=C2CN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CC2=C1	REAL300003287101	0	48	0.0	-82.87	379.66	11.45	-71.42
O=C([O-])C1=CC=C2CN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CC2=C1	REAL300003287101	1	48	0.0	-83.03	378.67	11.39	-71.64
O=C([O-])C1=CC=C2CN(C(=O)C3CC[NH+](C4CCSC4)CC3)CC2=C1	REAL300003287102	0	49	0.0	-90.56	381.10	10.87	-79.69
C[NH+]1CCN(C(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)C2=CC=CC=C2)CC1	REAL300003287130	1	53	0.0	-71.23	399.72	9.26	-61.97
O=C([O-])C1=CC=C2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CC2=C1	REAL300003287131	0	52	0.0	-81.99	374.80	8.98	-73.01
CCC(C(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1)[NH+](CC)CC	REAL300003287135	0	46	0.0	-72.55	339.83	9.24	-63.31
CC(C(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1)[N@H+](C)CC1=CC=CC=C1	REAL300003287137	0	47	0.0	-80.31	372.28	11.07	-69.24
CC(C(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003287137	1	47	0.0	-80.13	370.78	11.00	-69.13
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C[NH+](C)CC1=CC=C(C(=O)N2CC3=CC=C(C(=O)[O-])C=C3C2)C=N1	REAL300003287174	0	43	0.0	-86.21	345.92	8.67	-77.54
CCC[NH+](CCC)CCCC(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300003287184	0	52	0.0	-81.54	396.11	11.07	-70.47
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CC[N@H+](C)C(C(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1)C1=CC=CC=C1	REAL300003287186	0	47	0.0	-74.24	366.65	11.02	-63.22
CC[N@@H+](C)C(C(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1)C1=CC=CC=C1	REAL300003287186	1	47	0.0	-74.42	364.00	10.98	-63.44
CC[NH+](CC)C(C(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1)C1=CC=CC=C1	REAL300003287191	0	50	0.0	-76.60	375.40	11.56	-65.04
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300003287198	1	42	0.0	-74.82	347.41	9.91	-64.91
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CCN1CCC([NH+]2CCC(C(=O)N3CC4=CC=C(C(=O)[O-])C=C4C3)CC2)CC1	REAL300003287228	0	59	0.0	-84.64	431.71	9.81	-74.83
CC1C[NH+](CC2=CC=C(C(=O)N3CC4=CC=C(C(=O)[O-])C=C4C3)C=C2)CC(C)O1	REAL300003287235	1	55	0.0	-90.40	425.03	11.01	-79.39
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CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300003287296	1	40	0.0	-72.59	327.26	7.71	-64.88
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CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C(=O)[O-])C=C3OC(F)F)CN12	REAL300003295689	1	43	0.0	-75.87	354.56	7.90	-67.97
CC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)N1CC[NH+](C)CC1	REAL300003295750	1	46	0.0	-81.48	357.86	5.06	-76.42
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003295780	1	41	0.0	-77.34	328.15	6.80	-70.54
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003295780	1	41	0.0	-80.67	318.91	6.59	-74.08
C[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC1	REAL300003295839	0	41	0.0	-86.48	331.86	6.83	-79.65
O=C([O-])C1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(OC(F)F)=C1	REAL300003295866	0	36	0.0	-81.93	317.68	8.67	-73.26
C[NH+](C)CC1(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CCCCC1	REAL300003295892	0	50	0.0	-84.03	375.83	8.56	-75.47
C[N@H+](CCC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)C1CCCCC1	REAL300003295896	0	50	0.0	-85.36	385.09	8.77	-76.59
C[N@@H+](CCC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)C1CCCCC1	REAL300003295896	1	50	0.0	-85.39	385.09	8.77	-76.62
C[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003295908	1	38	0.0	-77.49	313.21	6.12	-71.37
C[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003295908	1	38	0.0	-79.66	307.06	5.73	-73.93
C[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC1	REAL300003295952	0	41	0.0	-86.48	331.86	6.83	-79.65
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(OC(F)F)=C1	REAL300003295955	0	44	0.0	-87.86	375.29	7.82	-80.04
O=C([O-])C1=CC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C(OC(F)F)=C1	REAL300003295965	0	52	0.0	-88.05	398.18	7.45	-80.60
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003295995	1	42	0.0	-79.58	357.65	8.09	-71.49
O=C([O-])C1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C(OC(F)F)=C1	REAL300003295996	1	48	0.0	-86.31	384.95	6.78	-79.53
C[C@@H](C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)[NH+](C)C	REAL300003296000	0	37	0.0	-79.75	305.03	5.61	-74.14
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296001	1	38	0.0	-80.94	307.06	5.71	-75.23
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296001	1	38	0.0	-78.47	311.97	6.23	-72.24
C[C@H](C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)[NH+](C)C	REAL300003296003	0	37	0.0	-80.54	304.14	5.58	-74.96
O=C([O-])C1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(OC(F)F)=C1	REAL300003296034	0	48	0.0	-85.72	390.11	9.57	-76.15
O=C([O-])C1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(OC(F)F)=C1	REAL300003296034	1	48	0.0	-83.87	390.65	9.55	-74.32
O=C([O-])C1=CC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C(OC(F)F)=C1	REAL300003296054	0	52	0.0	-85.03	383.41	7.03	-78.00
CCC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)[NH+](CC)CC	REAL300003296058	0	46	0.0	-74.67	352.15	7.57	-67.10
CC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)[N@H+](C)CC1=CC=CC=C1	REAL300003296060	1	47	0.0	-82.58	381.58	9.17	-73.41
CC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)[N@@H+](C)CC1=CC=CC=C1	REAL300003296060	1	47	0.0	-83.49	380.86	9.19	-74.30
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C=N1	REAL300003296079	0	43	0.0	-86.11	361.43	6.81	-79.30
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296082	0	52	0.0	-83.71	404.83	9.10	-74.61
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296091	1	42	0.0	-76.82	352.33	7.90	-68.92
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(OC(F)F)=C1	REAL300003296103	0	48	0.0	-88.87	389.64	9.82	-79.05
C[NH+](C)CC1(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC1	REAL300003296109	0	41	0.0	-85.67	333.50	7.02	-78.65
C[NH+](C)CCCCC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296114	0	43	0.0	-84.41	352.04	7.32	-77.09
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C=NN1C1=CC=[NH+]C=C1	REAL300003296131	1	42	0.0	-88.19	363.20	7.05	-81.14
O=C([O-])C1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(OC(F)F)=C1	REAL300003296141	1	44	0.0	-85.96	370.91	7.28	-78.68
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C=C1	REAL300003296142	0	47	0.0	-90.37	388.15	9.52	-80.85
CCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296154	0	40	0.0	-83.12	325.91	6.60	-76.52
CCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296154	1	40	0.0	-82.49	326.74	6.59	-75.90
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)C1CCC1	REAL300003296168	0	41	0.0	-80.27	332.90	7.17	-73.10
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)C1CCC1	REAL300003296168	1	41	0.0	-80.07	333.63	7.16	-72.91
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)CC(C)(C)C	REAL300003296191	0	46	0.0	-83.04	354.36	7.62	-75.42
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)CC(C)(C)C	REAL300003296191	1	46	0.0	-81.90	357.74	7.74	-74.16
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296193	1	47	0.0	-86.88	385.81	9.61	-77.27
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296193	1	47	0.0	-86.90	385.81	9.63	-77.27
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296194	0	51	0.0	-84.85	414.74	5.78	-79.07
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296194	1	51	0.0	-85.84	414.86	5.81	-80.03
CC[C@@H](C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)[NH+](C)C	REAL300003296197	0	40	0.0	-77.92	317.85	6.19	-71.73
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C1	REAL300003296199	0	45	0.0	-78.48	347.04	5.22	-73.26
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C1	REAL300003296199	1	45	0.0	-77.40	356.82	5.40	-72.00
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296211	0	49	0.0	-84.35	390.41	8.95	-75.40
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296211	1	49	0.0	-83.73	391.24	8.93	-74.80
O=C([O-])C1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(OC(F)F)=C1	REAL300003296226	1	36	0.0	-86.98	317.94	8.68	-78.30
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)C1CCSC1	REAL300003296234	1	42	0.0	-88.13	346.17	7.42	-80.71
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)C1CCSC1	REAL300003296234	1	42	0.0	-86.68	346.78	7.43	-79.25
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC1	REAL300003296248	0	52	0.0	-81.32	402.03	6.35	-74.97
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC1	REAL300003296249	0	55	0.0	-79.33	423.53	7.16	-72.17
CC(C)N1CC[NH+](CCCC(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC1	REAL300003296249	1	55	0.0	-84.49	420.34	6.98	-77.51
O=C([O-])C1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C(OC(F)F)=C1	REAL300003296250	0	45	0.0	-73.53	351.97	8.00	-65.53
O=C([O-])C1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C(OC(F)F)=C1	REAL300003296250	1	45	0.0	-79.17	343.68	7.74	-71.43
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C=N1	REAL300003296252	0	44	0.0	-88.45	371.82	6.65	-81.80
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)=N1	REAL300003296286	0	44	0.0	-92.98	371.37	6.68	-86.30
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296287	0	44	0.0	-83.57	360.59	7.08	-76.49
C[C@@H]1[C@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC[N@@H+]1C	REAL300003296289	0	41	0.0	-84.38	324.70	6.48	-77.90
C[C@@H]1[C@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC[N@H+]1C	REAL300003296289	1	41	0.0	-84.64	330.43	6.40	-78.24
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296290	1	45	0.0	-77.00	372.63	8.38	-68.62
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC[N@@H+]1C	REAL300003296293	0	44	0.0	-83.91	344.54	6.86	-77.05
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC[N@H+]1C	REAL300003296293	1	44	0.0	-83.92	348.82	7.29	-76.63
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)=NN1	REAL300003296295	1	45	0.0	-87.30	373.26	6.23	-81.07
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)=NN1	REAL300003296295	1	45	0.0	-87.11	373.73	6.22	-80.89
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)O1	REAL300003296300	1	42	0.0	-91.14	338.14	6.24	-84.90
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)O1	REAL300003296300	1	42	0.0	-92.74	338.53	5.83	-86.91
O=C([O-])C1=CC=C(NC(=O)C[NH+]2CCCC2)C(OC(F)F)=C1	REAL300003296306	1	38	0.0	-81.55	311.48	6.20	-75.35
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296308	1	36	0.0	-77.75	316.11	6.79	-70.96
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296310	1	45	0.0	-84.55	357.77	5.89	-78.66
CC1CC[NH+](CC(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC1	REAL300003296329	1	44	0.0	-83.22	349.92	7.67	-75.55
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C1	REAL300003296340	1	42	0.0	-89.65	342.97	6.17	-83.48
CC[N@H+]1CCOC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C1	REAL300003296340	1	42	0.0	-90.19	341.51	6.16	-84.03
O=C([O-])C1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(OC(F)F)=C1	REAL300003296369	0	51	0.0	-82.03	392.06	9.09	-72.94
O=C([O-])C1=CC=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C(OC(F)F)=C1	REAL300003296369	1	51	0.0	-84.02	392.01	9.05	-74.97
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296375	0	44	0.0	-85.01	354.89	7.66	-77.35
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296375	1	44	0.0	-81.26	348.75	7.18	-74.08
O=C([O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C(OC(F)F)=C1	REAL300003296386	0	45	0.0	-75.44	355.01	8.05	-67.39
O=C([O-])C1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C(OC(F)F)=C1	REAL300003296386	1	45	0.0	-78.46	347.11	7.69	-70.77
CC[NH+](CC)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296405	0	40	0.0	-80.99	318.12	6.24	-74.75
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC1	REAL300003296407	0	47	0.0	-84.32	365.31	8.02	-76.30
O=C([O-])C1=CC=C(NC(=O)C23CC[NH+](CC2)C3)C(OC(F)F)=C1	REAL300003296473	0	39	0.0	-84.35	319.02	5.71	-78.64
CCC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)[NH+](C)C	REAL300003296476	0	40	0.0	-80.57	319.31	6.33	-74.24
O=C([O-])C1=CC=C(NC(=O)C23CC[N@H+](C2)CCC3)C(OC(F)F)=C1	REAL300003296483	0	42	0.0	-83.34	328.26	6.38	-76.96
O=C([O-])C1=CC=C(NC(=O)C23CC[N@@H+](C2)CCC3)C(OC(F)F)=C1	REAL300003296483	1	42	0.0	-83.37	328.61	6.38	-76.99
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296518	0	44	0.0	-79.22	343.73	7.17	-72.05
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)=C1	REAL300003296519	0	44	0.0	-83.66	365.67	8.66	-75.00
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC1	REAL300003296562	0	43	0.0	-87.58	355.67	7.98	-79.60
CC[NH+]1CCN(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC1	REAL300003296564	0	49	0.0	-83.54	384.12	5.68	-77.86
CCN1CC[NH+](CCC(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC1	REAL300003296564	1	49	0.0	-84.55	386.10	5.82	-78.73
CC(C)[N@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296565	0	40	0.0	-80.06	321.10	6.39	-73.67
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296565	1	40	0.0	-79.41	321.93	6.37	-73.04
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296569	1	45	0.0	-76.54	372.09	8.32	-68.22
CC[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)C1CC1	REAL300003296576	0	41	0.0	-78.87	335.74	7.21	-71.66
CC[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)C1CC1	REAL300003296576	1	41	0.0	-78.37	331.22	6.98	-71.39
CC(C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)[NH+]1CCCCCC1	REAL300003296598	0	47	0.0	-77.23	355.99	7.64	-69.59
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296601	1	38	0.0	-78.39	313.87	6.23	-72.16
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296601	1	38	0.0	-81.20	306.78	5.71	-75.49
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296662	0	40	0.0	-81.38	325.63	4.90	-76.48
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)O1	REAL300003296664	0	47	0.0	-84.74	387.57	8.33	-76.41
O=C([O-])C1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C(OC(F)F)=C1	REAL300003296665	0	47	0.0	-82.94	378.01	8.49	-74.45
C[N@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)CC1=CC=CC=C1	REAL300003296667	1	44	0.0	-87.78	363.34	8.78	-79.00
C[N@@H+](CC(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F)CC1=CC=CC=C1	REAL300003296667	1	44	0.0	-87.85	363.38	8.77	-79.08
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)=NO1	REAL300003296710	1	40	0.0	-87.62	346.62	6.21	-81.41
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296723	0	44	0.0	-78.64	339.70	7.18	-71.46
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C(=O)[O-])C=C1OC(F)F	REAL300003296723	1	44	0.0	-79.22	339.29	7.22	-72.00
C[NH+]1CCC(OCC(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC1	REAL300003296738	0	45	0.0	-87.55	366.63	7.17	-80.38
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(OC(F)F)=C1	REAL300003296742	0	48	0.0	-86.64	393.64	8.86	-77.78
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C1	REAL300003296873	0	47	0.0	-75.63	365.23	8.39	-67.24
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C1	REAL300003296873	1	47	0.0	-81.86	370.71	8.18	-73.68
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C1	REAL300003297053	0	47	0.0	-75.43	359.09	8.15	-67.28
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C1	REAL300003297053	1	47	0.0	-75.41	359.08	8.15	-67.26
C[N@@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C(C(F)(F)F)C1	REAL300003297054	0	41	0.0	-90.30	340.02	7.04	-83.26
C[N@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C(C(F)(F)F)C1	REAL300003297054	1	41	0.0	-92.48	342.85	7.09	-85.39
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)N1	REAL300003297075	1	42	0.0	-77.85	356.91	6.47	-71.38
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)=C1	REAL300003297426	0	47	0.0	-84.19	388.16	9.50	-74.69
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C=C1	REAL300003297432	0	48	0.0	-88.51	394.42	8.44	-80.07
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C1	REAL300003297544	0	41	0.0	-82.13	337.08	6.90	-75.23
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)CC1	REAL300003297548	0	47	0.0	-76.96	358.72	7.85	-69.11
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(C(=O)[O-])C=C3OC(F)F)=CN12	REAL300003297552	0	39	0.0	-77.93	339.10	8.45	-69.48
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C1	REAL300003297600	0	50	0.0	-76.35	382.65	9.08	-67.27
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C1	REAL300003297600	1	50	0.0	-76.36	382.49	9.09	-67.27
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C1	REAL300003297601	0	44	0.0	-76.01	342.44	7.63	-68.38
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C1	REAL300003297601	1	44	0.0	-75.33	343.71	7.66	-67.67
C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C1	REAL300003297606	0	41	0.0	-76.09	324.78	6.98	-69.11
C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)C1	REAL300003297606	1	41	0.0	-83.06	331.03	6.79	-76.27
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OC(F)F)O1	REAL300003297608	1	41	0.0	-87.90	350.15	6.89	-81.01
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(OC(F)F)=C1	REAL300003297616	1	43	0.0	-78.84	344.35	7.79	-71.05
O=C([O-])C1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(OC(F)F)=C1	REAL300003297616	1	43	0.0	-80.32	344.53	8.29	-72.03
CC(C(=O)[O-])N(C)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003298367	0	46	0.0	-70.82	343.02	9.57	-61.25
CC1=NC(C[NH+]2CCC(C(=O)N(C)C(C)C(=O)[O-])CC2)=CS1	REAL300003299255	1	45	0.0	-62.15	353.72	7.44	-54.71
CC(C(=O)[O-])N(C)C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003299280	0	49	0.0	-72.73	381.98	9.43	-63.30
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300003299283	0	49	0.0	-75.06	379.95	11.34	-63.72
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300003299283	1	49	0.0	-77.66	380.09	11.41	-66.25
CC[N@H+](CC1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1)C(C)C	REAL300003299370	0	48	0.0	-75.25	346.91	9.11	-66.14
CC[N@@H+](CC1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1)C(C)C	REAL300003299370	1	48	0.0	-72.41	343.43	8.89	-63.52
CC(C(=O)[O-])N(C)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003299382	0	44	0.0	-62.30	327.07	8.23	-54.07
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003299402	0	49	0.0	-66.45	366.60	10.44	-56.01
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003299402	1	49	0.0	-68.63	365.52	10.40	-58.23
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003299429	0	46	0.0	-73.03	344.82	9.60	-63.43
CCN1CCC([NH+]2CCC(C(=O)N(C)C(C)C(=O)[O-])CC2)CC1	REAL300003299434	0	54	0.0	-66.11	372.93	7.11	-59.00
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300003299439	1	50	0.0	-78.87	377.04	8.56	-70.31
CC(C(=O)[O-])N(C)C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003299448	1	47	0.0	-74.97	354.95	9.05	-65.92
CC(C(=O)[O-])N(C)C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003299448	1	47	0.0	-75.60	354.54	9.15	-66.45
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003299459	0	46	0.0	-76.84	343.47	9.49	-67.35
CC(C(=O)[O-])N(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003299467	1	44	0.0	-71.64	336.83	8.45	-63.19
CC(C(=O)[O-])N(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003299467	1	44	0.0	-55.13	328.86	8.24	-46.89
CC(C(=O)[O-])N(C)C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003299471	0	52	0.0	-56.91	384.05	11.02	-45.89
CC(C(=O)[O-])N(C)C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003299485	0	51	0.0	-70.70	381.28	8.83	-61.87
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)C(C)C(=O)[O-])CC2)=C1	REAL300003299500	0	51	0.0	-66.63	382.12	8.68	-57.95
CC(C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003299501	0	48	0.0	-66.75	360.72	8.02	-58.73
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003299503	0	45	0.0	-64.95	332.88	7.98	-56.97
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003299503	1	45	0.0	-61.30	332.26	7.79	-53.51
CC(C(=O)[O-])N(C)C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003299517	0	46	0.0	-71.18	351.90	9.77	-61.41
CC(C(=O)[O-])N(C)C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003299517	1	46	0.0	-70.66	352.33	9.78	-60.88
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003299525	0	46	0.0	-66.32	349.93	9.54	-56.78
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003299525	1	46	0.0	-60.42	343.79	9.71	-50.71
CC(C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003299527	0	47	0.0	-66.54	357.51	7.44	-59.10
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300003299544	0	48	0.0	-66.01	362.93	7.22	-58.79
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300003299545	0	48	0.0	-72.87	359.51	7.04	-65.83
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300003299545	1	48	0.0	-77.63	360.81	7.08	-70.55
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300003299546	0	49	0.0	-73.90	367.11	8.83	-65.07
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003299563	0	50	0.0	-78.69	375.47	6.84	-71.85
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003299565	0	46	0.0	-59.41	337.42	9.64	-49.77
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003299565	1	46	0.0	-55.11	337.63	9.79	-45.32
CC(C(=O)[O-])N(C)C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300003299619	1	44	0.0	-76.26	338.18	8.18	-68.08
CC(C(=O)[O-])N(C)C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300003299619	1	44	0.0	-77.62	336.15	8.12	-69.50
CC1=CC=C(N2CCC(C(=O)N(C)C(C)C(=O)[O-])CC2)[NH+]=C1	REAL300003299639	1	45	0.0	-65.55	336.47	7.36	-58.19
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)CC1	REAL300003299641	0	51	0.0	-76.82	369.82	8.16	-68.66
CC(C(=O)[O-])N(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300003299653	0	46	0.0	-61.86	346.32	9.72	-52.14
CC(C(=O)[O-])N(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300003299653	1	46	0.0	-63.19	348.05	9.75	-53.44
CC(C(=O)[O-])N(C)C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003299666	0	47	0.0	-76.97	369.07	9.03	-67.94
CC(C(=O)[O-])N(C)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003299981	0	49	0.0	-66.29	367.11	10.51	-55.78
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300003299982	1	47	0.0	-78.49	352.01	7.99	-70.50
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300003299982	1	47	0.0	-78.87	349.62	7.85	-71.02
CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(C)(C)CC(=O)[O-]	REAL300003301017	0	52	0.0	-74.20	370.16	10.40	-63.80
CC1=NC(C[NH+]2CCC(C(=O)N(C)C(C)(C)CC(=O)[O-])CC2)=CS1	REAL300003302249	1	51	0.0	-73.92	378.81	8.20	-65.72
CN(C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(C)(C)CC(=O)[O-]	REAL300003302293	0	55	0.0	-73.01	408.11	10.21	-62.80
CN(C(=O)C1=CC(C[N@H+](C)CC2=CC=CC=C2)=CC=C1)C(C)(C)CC(=O)[O-]	REAL300003302298	0	55	0.0	-80.22	407.03	12.16	-68.06
CN(C(=O)C1=CC(C[N@@H+](C)CC2=CC=CC=C2)=CC=C1)C(C)(C)CC(=O)[O-]	REAL300003302298	1	55	0.0	-74.51	407.02	12.17	-62.34
CN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(C)(C)CC(=O)[O-]	REAL300003302407	0	45	0.0	-67.20	332.54	7.37	-59.83
CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C(C)(C)CC(=O)[O-]	REAL300003302425	0	53	0.0	-61.94	355.38	7.32	-54.62
CN(C(=O)CCCC[NH+]1CCOCC1)C(C)(C)CC(=O)[O-]	REAL300003302444	1	49	0.0	-71.81	352.31	7.06	-64.75
CC[N@H+](CC1=CC=C(C(=O)N(C)C(C)(C)CC(=O)[O-])C=C1)C(C)C	REAL300003302445	0	54	0.0	-59.78	367.81	9.55	-50.23
CC[N@@H+](CC1=CC=C(C(=O)N(C)C(C)(C)CC(=O)[O-])C=C1)C(C)C	REAL300003302445	1	54	0.0	-72.75	370.23	9.77	-62.98
CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)CC(=O)[O-]	REAL300003302460	0	49	0.0	-67.77	356.29	9.78	-57.99
CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)CC(=O)[O-]	REAL300003302460	1	49	0.0	-67.73	356.91	9.79	-57.94
CN(C(=O)C1CC[NH+](C2CCSC2)CC1)C(C)(C)CC(=O)[O-]	REAL300003302461	0	50	0.0	-76.64	354.08	9.10	-67.54
CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C(C)(C)CC(=O)[O-]	REAL300003302482	0	53	0.0	-67.32	350.77	7.31	-60.01
CC(C(=O)N(C)C(C)(C)CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003302485	0	48	0.0	-63.12	347.35	9.34	-53.78
CC(C(=O)N(C)C(C)(C)CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003302485	1	48	0.0	-62.79	345.40	9.35	-53.44
CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(C)(C)CC(=O)[O-]	REAL300003302492	0	55	0.0	-62.03	387.68	11.46	-50.57
CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(C)(C)CC(=O)[O-]	REAL300003302492	1	55	0.0	-61.59	387.66	11.51	-50.08
CCC[NH+](CCC)CCCC(=O)N(C)C(C)(C)CC(=O)[O-]	REAL300003302512	0	53	0.0	-68.05	372.12	9.38	-58.67
CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(C)(C)CC(=O)[O-]	REAL300003302527	0	49	0.0	-62.68	346.21	9.30	-53.38
CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(C)(C)CC(=O)[O-]	REAL300003302532	0	52	0.0	-69.95	371.88	10.42	-59.53
CCC(C(=O)N(C)C(C)(C)CC(=O)[O-])[N@@H+]1CCOC(CC)C1	REAL300003302535	1	52	0.0	-60.68	357.52	7.47	-53.21
CCC(C(=O)N(C)C(C)(C)CC(=O)[O-])[N@H+]1CCOC(CC)C1	REAL300003302535	1	52	0.0	-60.71	347.80	7.26	-53.45
CCN1CCC([NH+]2CCC(C(=O)N(C)C(C)(C)CC(=O)[O-])CC2)CC1	REAL300003302538	0	60	0.0	-70.41	399.98	7.89	-62.52
CC1C[NH+](CC2=CC=C(C(=O)N(C)C(C)(C)CC(=O)[O-])C=C2)CC(C)O1	REAL300003302544	1	56	0.0	-66.34	397.11	9.09	-57.25
CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(C)(C)CC(=O)[O-]	REAL300003302554	1	53	0.0	-77.83	381.58	9.83	-68.00
CN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(C)(C)CC(=O)[O-]	REAL300003302554	1	53	0.0	-75.41	388.31	9.89	-65.52
CC1=C(C(=O)N(C)C(C)(C)CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003302568	1	43	0.0	-75.00	329.71	6.99	-68.01
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(C)(C)CC(=O)[O-]	REAL300003302571	0	52	0.0	-63.11	363.53	10.02	-53.09
CN(C(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(C)(C)CC(=O)[O-]	REAL300003302581	1	45	0.0	-72.96	336.20	7.88	-65.08
CN(C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(C)(C)CC(=O)[O-]	REAL300003302582	0	48	0.0	-67.95	344.76	9.06	-58.89
CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(C)(C)CC(=O)[O-]	REAL300003302585	1	50	0.0	-74.18	364.07	9.14	-65.04
CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(C)(C)CC(=O)[O-]	REAL300003302585	1	50	0.0	-67.57	357.17	8.99	-58.58
CC(C(=O)N(C)C(C)(C)CC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003302593	0	58	0.0	-61.52	402.57	11.59	-49.93
CN(C(=O)C[N@H+](C)CCC1=CC=CC=C1)C(C)(C)CC(=O)[O-]	REAL300003302618	0	48	0.0	-66.82	353.17	9.86	-56.96
CN(C(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(C)(C)CC(=O)[O-]	REAL300003302618	1	48	0.0	-66.83	353.17	9.86	-56.97
COCCOCC[N@H+](C)CCC(=O)N(C)C(C)(C)CC(=O)[O-]	REAL300003302619	0	52	0.0	-67.62	382.17	6.08	-61.54
COCCOCC[N@@H+](C)CCC(=O)N(C)C(C)(C)CC(=O)[O-]	REAL300003302619	1	52	0.0	-68.74	382.22	6.09	-62.65
CN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)(C)CC(=O)[O-]	REAL300003302625	0	57	0.0	-72.74	408.34	9.60	-63.14
CC(C)[NH+]1CCN(CCC(=O)N(C)C(C)(C)CC(=O)[O-])CC1	REAL300003302651	0	53	0.0	-67.28	369.39	6.63	-60.65
CC(C)N1CC[NH+](CCC(=O)N(C)C(C)(C)CC(=O)[O-])CC1	REAL300003302651	1	53	0.0	-67.52	365.70	6.42	-61.10
CC(C)[NH+]1CCN(CCCC(=O)N(C)C(C)(C)CC(=O)[O-])CC1	REAL300003302652	0	56	0.0	-66.11	390.89	7.44	-58.67
CC(C)N1CC[NH+](CCCC(=O)N(C)C(C)(C)CC(=O)[O-])CC1	REAL300003302652	1	56	0.0	-68.67	387.20	7.23	-61.44
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)C(C)(C)CC(=O)[O-])CC2)=C1	REAL300003302656	0	57	0.0	-71.63	408.24	9.46	-62.17
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(C)(C)CC(=O)[O-]	REAL300003302657	0	54	0.0	-71.68	386.84	8.81	-62.87
CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(C)(C)CC(=O)[O-]	REAL300003302660	0	51	0.0	-69.91	365.17	8.59	-61.32
CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(C)(C)CC(=O)[O-]	REAL300003302660	1	51	0.0	-65.26	358.88	8.68	-56.58
CC(C(=O)N(C)C(C)(C)CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003302664	0	49	0.0	-61.94	344.58	9.65	-52.29
CC(C(=O)N(C)C(C)(C)CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003302664	1	49	0.0	-63.31	344.26	9.66	-53.65
CC(C(=O)N(C)C(C)(C)CC(=O)[O-])[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300003302666	1	54	0.0	-66.33	386.93	8.55	-57.78
CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)CC(=O)[O-]	REAL300003302681	0	52	0.0	-72.31	379.71	10.70	-61.61
CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)CC(=O)[O-]	REAL300003302681	1	52	0.0	-72.38	378.85	10.69	-61.69
CN(C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1)C(C)(C)CC(=O)[O-]	REAL300003302691	1	46	0.0	-72.05	333.04	6.28	-65.77
CN(C(=O)C1=NNC(C2CCC[N@H+]2C)=C1)C(C)(C)CC(=O)[O-]	REAL300003302691	1	46	0.0	-74.80	336.96	6.81	-67.99
CN(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(C)(C)CC(=O)[O-]	REAL300003302698	0	52	0.0	-69.02	371.54	10.66	-58.36
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(C)(C)CC(=O)[O-]	REAL300003302698	1	52	0.0	-64.57	370.42	10.60	-53.97
CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(C)(C)CC(=O)[O-]	REAL300003302700	0	53	0.0	-71.40	384.57	8.21	-63.19
CN(C(=O)C1CC[N@@H+](C2CCCCC2)C1)C(C)(C)CC(=O)[O-]	REAL300003302723	0	52	0.0	-65.91	354.41	9.13	-56.78
CN(C(=O)C1CC[N@H+](C2CCCCC2)C1)C(C)(C)CC(=O)[O-]	REAL300003302723	1	52	0.0	-66.26	356.42	9.22	-57.04
CN(C(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1)C(C)(C)CC(=O)[O-]	REAL300003302741	0	54	0.0	-68.23	388.99	7.99	-60.24
CN(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(C)(C)CC(=O)[O-]	REAL300003302742	0	54	0.0	-63.77	382.09	7.48	-56.29
CN(C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(C)(C)CC(=O)[O-]	REAL300003302742	1	54	0.0	-63.58	380.36	7.51	-56.07
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)C(C)(C)CC(=O)[O-])C=C1	REAL300003302743	0	55	0.0	-64.00	383.51	9.04	-54.96
CN(C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(C)(C)CC(=O)[O-]	REAL300003302796	0	56	0.0	-66.94	395.61	7.38	-59.56
CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(C)(C)CC(=O)[O-]	REAL300003302798	0	52	0.0	-65.89	370.21	10.36	-55.53
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(C)(C)CC(=O)[O-]	REAL300003302798	1	52	0.0	-65.97	370.15	10.36	-55.61
CN(C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(C)(C)CC(=O)[O-]	REAL300003302878	1	50	0.0	-79.37	365.28	8.99	-70.38
CN(C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(C)(C)CC(=O)[O-]	REAL300003302878	1	50	0.0	-75.26	365.42	8.97	-66.29
CC[NH+](CC)CC1=CC=C(C(=O)N(C)C(C)(C)CC(=O)[O-])O1	REAL300003302916	0	48	0.0	-70.63	350.57	8.70	-61.93
CC1=CC=C(N2CCC(C(=O)N(C)C(C)(C)CC(=O)[O-])CC2)[NH+]=C1	REAL300003302918	1	51	0.0	-66.93	363.10	8.25	-58.68
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)C(C)(C)CC(=O)[O-])C=C2)CC1	REAL300003302921	0	57	0.0	-62.01	391.18	8.43	-53.58
CN(C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(C)(C)CC(=O)[O-]	REAL300003302928	1	40	0.0	-74.07	308.19	6.50	-67.57
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C(C)(C)CC(=O)[O-]	REAL300003302952	0	52	0.0	-67.59	372.38	10.51	-57.08
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C(C)(C)CC(=O)[O-]	REAL300003302952	1	52	0.0	-67.62	373.93	10.54	-57.08
CN(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(C)(C)CC(=O)[O-]	REAL300003302967	0	53	0.0	-75.85	395.69	9.93	-65.92
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(C)(C)CC(=O)[O-]	REAL300003302979	0	49	0.0	-72.69	357.36	9.22	-63.47
CN(C(=O)C1C[N@H+](C)CC1C(F)(F)F)C(C)(C)CC(=O)[O-]	REAL300003303223	0	42	0.0	-74.15	314.19	6.98	-67.17
CN(C(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(C)(C)CC(=O)[O-]	REAL300003303223	1	42	0.0	-69.54	313.45	6.99	-62.55
CN(C(=O)C1=CC(CC[NH+](C)C)=CC=C1)C(C)(C)CC(=O)[O-]	REAL300003303510	0	48	0.0	-71.95	352.81	9.40	-62.55
CN(C(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(C)(C)CC(=O)[O-]	REAL300003303513	0	49	0.0	-62.40	352.35	7.91	-54.49
CN(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(C)(C)CC(=O)[O-]	REAL300003303573	0	55	0.0	-66.57	393.75	11.41	-55.16
CC1C[N@H+](CC2=CC=C(C(=O)N(C)C(C)(C)CC(=O)[O-])C=C2)CCO1	REAL300003303575	1	53	0.0	-65.63	371.78	8.28	-57.35
CC1C[N@@H+](CC2=CC=C(C(=O)N(C)C(C)(C)CC(=O)[O-])C=C2)CCO1	REAL300003303575	1	53	0.0	-65.14	369.69	8.39	-56.75
O=C([O-])CC1(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300003304688	0	53	0.0	-66.87	390.30	10.82	-56.05
CC1=[NH+]C=C2CCC(C(=O)NC3(CC(=O)[O-])CCCC3)CN21	REAL300003305976	1	45	0.0	-54.03	338.02	8.42	-45.61
CC1=NC(C[NH+]2CCC(C(=O)NC3(CC(=O)[O-])CCCC3)CC2)=CS1	REAL300003306028	1	52	0.0	-63.05	397.64	8.89	-54.16
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2(CC(=O)[O-])CCCC2)C=C1	REAL300003306090	0	56	0.0	-70.68	423.82	10.38	-60.30
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(CC(=O)[O-])CCCC2)=C1	REAL300003306096	0	56	0.0	-70.65	424.56	12.73	-57.92
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2(CC(=O)[O-])CCCC2)=C1	REAL300003306096	1	56	0.0	-70.32	424.56	12.72	-57.60
C[NH+](C)CC1(C(=O)NC2(CC(=O)[O-])CCCC2)CCCCC1	REAL300003306164	0	52	0.0	-69.10	349.44	8.83	-60.27
C[N@H+](CCC(=O)NC1(CC(=O)[O-])CCCC1)C1CCCCC1	REAL300003306166	0	52	0.0	-58.31	367.97	9.23	-49.08
C[N@@H+](CCC(=O)NC1(CC(=O)[O-])CCCC1)C1CCCCC1	REAL300003306166	1	52	0.0	-55.01	368.16	9.22	-45.79
O=C([O-])CC1(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCCC1	REAL300003306225	0	46	0.0	-69.08	358.06	8.26	-60.82
O=C([O-])CC1(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CCCC1	REAL300003306244	0	54	0.0	-67.84	381.26	7.91	-59.93
O=C([O-])CC1(NC(=O)CCCC[NH+]2CCOCC2)CCCC1	REAL300003306268	1	50	0.0	-64.97	368.02	7.23	-57.74
CC[N@H+](CC1=CC=C(C(=O)NC2(CC(=O)[O-])CCCC2)C=C1)C(C)C	REAL300003306269	0	55	0.0	-70.65	389.76	10.63	-60.02
CC[N@@H+](CC1=CC=C(C(=O)NC2(CC(=O)[O-])CCCC2)C=C1)C(C)C	REAL300003306269	1	55	0.0	-69.57	387.43	10.28	-59.29
O=C([O-])CC1(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300003306286	0	50	0.0	-56.90	372.90	10.05	-46.85
O=C([O-])CC1(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300003306286	1	50	0.0	-57.55	374.48	10.10	-47.45
O=C([O-])CC1(NC(=O)C2CC[NH+](C3CCSC3)CC2)CCCC1	REAL300003306287	0	51	0.0	-61.04	369.85	9.28	-51.76
O=C([O-])CC1(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CCCC1	REAL300003306309	0	54	0.0	-56.81	366.49	7.49	-49.32
CC(C(=O)NC1(CC(=O)[O-])CCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300003306312	0	49	0.0	-55.62	364.41	9.63	-45.99
CC(C(=O)NC1(CC(=O)[O-])CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300003306312	1	49	0.0	-47.00	364.49	9.68	-37.32
O=C([O-])CC1(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCCC1	REAL300003306320	0	56	0.0	-54.58	406.92	11.89	-42.69
O=C([O-])CC1(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCCC1	REAL300003306320	1	56	0.0	-56.66	407.21	11.97	-44.69
C[NH+](C)CC1=CC=C(C(=O)NC2(CC(=O)[O-])CCCC2)C=N1	REAL300003306337	0	45	0.0	-67.85	343.72	7.65	-60.20
CCC[NH+](CCC)CCCC(=O)NC1(CC(=O)[O-])CCCC1	REAL300003306344	0	54	0.0	-62.15	387.33	9.55	-52.60
O=C([O-])CC1(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCCC1	REAL300003306362	0	50	0.0	-72.69	372.73	10.29	-62.40
O=C([O-])CC1(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCCC1	REAL300003306367	0	53	0.0	-66.70	389.48	10.99	-55.71
CCN1CCC([NH+]2CCC(C(=O)NC3(CC(=O)[O-])CCCC3)CC2)CC1	REAL300003306373	0	61	0.0	-62.93	420.43	8.36	-54.57
CC1C[NH+](CC2=CC=C(C(=O)NC3(CC(=O)[O-])CCCC3)C=C2)CC(C)O1	REAL300003306380	1	57	0.0	-73.14	423.22	10.04	-63.10
O=C([O-])CC1(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CCCC1	REAL300003306389	1	54	0.0	-66.56	396.54	10.13	-56.43
O=C([O-])CC1(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CCCC1	REAL300003306389	1	54	0.0	-64.29	403.37	10.14	-54.15
CC1=C(C(=O)NC2(CC(=O)[O-])CCCC2)C=NN1C1=CC=[NH+]C=C1	REAL300003306403	1	44	0.0	-73.12	343.91	7.51	-65.61
O=C([O-])CC1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCCC1	REAL300003306406	0	53	0.0	-70.96	389.89	11.02	-59.94
O=C([O-])CC1(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCCC1	REAL300003306417	1	46	0.0	-69.45	353.17	7.75	-61.70
C[NH+](C)CCC1=CC=C(C(=O)NC2(CC(=O)[O-])CCCC2)C=C1	REAL300003306418	0	49	0.0	-75.21	370.41	9.99	-65.22
CC(C(=O)NC1(CC(=O)[O-])CCCC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003306431	0	59	0.0	-49.83	427.77	12.08	-37.75
CC(C(=O)NC1(CC(=O)[O-])CCCC1)[NH+]1CCSCC1	REAL300003306453	1	44	0.0	-51.33	325.24	7.54	-43.79
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1(CC(=O)[O-])CCCC1	REAL300003306460	0	49	0.0	-52.24	368.89	10.08	-42.16
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1(CC(=O)[O-])CCCC1	REAL300003306460	1	49	0.0	-52.10	368.88	10.08	-42.02
COCCOCC[N@H+](C)CCC(=O)NC1(CC(=O)[O-])CCCC1	REAL300003306461	0	53	0.0	-55.67	398.02	6.34	-49.33
COCCOCC[N@@H+](C)CCC(=O)NC1(CC(=O)[O-])CCCC1	REAL300003306461	1	53	0.0	-55.78	397.93	6.26	-49.52
O=C([O-])CC1(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCC1	REAL300003306468	0	58	0.0	-63.23	423.54	9.73	-53.50
C[N@H+](CC(=O)NC1(CC(=O)[O-])CCCC1)C1CCSC1	REAL300003306490	0	44	0.0	-51.29	329.30	7.91	-43.38
C[N@@H+](CC(=O)NC1(CC(=O)[O-])CCCC1)C1CCSC1	REAL300003306490	1	44	0.0	-54.80	328.23	7.98	-46.82
CC(C)[NH+]1CCN(CCC(=O)NC2(CC(=O)[O-])CCCC2)CC1	REAL300003306500	0	54	0.0	-60.12	385.10	6.81	-53.31
CC(C)[NH+]1CCN(CCCC(=O)NC2(CC(=O)[O-])CCCC2)CC1	REAL300003306501	0	57	0.0	-60.62	401.49	7.25	-53.37
CC(C)N1CC[NH+](CCCC(=O)NC2(CC(=O)[O-])CCCC2)CC1	REAL300003306501	1	57	0.0	-58.93	402.92	7.41	-51.52
C[NH+](C)CCN1C=C(C(=O)NC2(CC(=O)[O-])CCCC2)C=N1	REAL300003306503	0	46	0.0	-72.26	353.93	7.16	-65.10
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3(CC(=O)[O-])CCCC3)CC2)=C1	REAL300003306506	0	58	0.0	-59.04	423.45	9.61	-49.43
O=C([O-])CC1(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CCCC1	REAL300003306508	0	55	0.0	-58.18	402.55	8.97	-49.21
O=C([O-])CC1(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCCC1	REAL300003306511	0	52	0.0	-61.09	386.05	8.97	-52.12
O=C([O-])CC1(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCCC1	REAL300003306511	1	52	0.0	-57.40	379.51	9.25	-48.15
CC(C(=O)NC1(CC(=O)[O-])CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003306516	1	50	0.0	-53.02	364.52	10.11	-42.91
CC(C(=O)NC1(CC(=O)[O-])CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003306516	1	50	0.0	-52.41	361.64	9.82	-42.59
O=C([O-])CC1(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300003306535	0	53	0.0	-62.94	392.89	10.82	-52.12
O=C([O-])CC1(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300003306535	1	53	0.0	-63.35	395.24	10.91	-52.44
C[NH+](C)CCN1C=CC(C(=O)NC2(CC(=O)[O-])CCCC2)=N1	REAL300003306546	0	46	0.0	-75.41	354.42	7.15	-68.26
C[NH+](C)CCN1N=CC=C1C(=O)NC1(CC(=O)[O-])CCCC1	REAL300003306547	0	46	0.0	-60.06	333.50	7.11	-52.95
CCC1=[NH+]C=CN1C(C)CC(=O)NC1(CC(=O)[O-])CCCC1	REAL300003306548	1	47	0.0	-51.77	355.71	8.84	-42.93
O=C([O-])CC1(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCCC1	REAL300003306559	0	53	0.0	-58.62	390.82	11.09	-47.53
O=C([O-])CC1(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCCC1	REAL300003306559	1	53	0.0	-57.20	397.05	10.89	-46.31
O=C([O-])CC1(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CCCC1	REAL300003306563	0	54	0.0	-58.04	400.31	8.39	-49.65
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2(CC(=O)[O-])CCCC2)CC1	REAL300003306598	1	53	0.0	-71.10	391.79	9.31	-61.79
O=C([O-])CC1(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)CCCC1	REAL300003306599	0	53	0.0	-50.90	375.33	9.58	-41.32
O=C([O-])CC1(NC(=O)C2CC[N@H+](C3CCCCC3)C2)CCCC1	REAL300003306599	1	53	0.0	-56.08	375.38	9.57	-46.51
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3(CC(=O)[O-])CCCC3)=C2)CC1	REAL300003306624	0	55	0.0	-69.81	406.60	8.56	-61.25
C[NH+]1CCN(CC2=CC=C(C(=O)NC3(CC(=O)[O-])CCCC3)C=C2)CC1	REAL300003306625	0	55	0.0	-71.79	406.37	8.58	-63.21
CN1CC[NH+](CC2=CC=C(C(=O)NC3(CC(=O)[O-])CCCC3)C=C2)CC1	REAL300003306625	1	55	0.0	-71.76	405.99	8.45	-63.31
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2(CC(=O)[O-])CCCC2)C=C1	REAL300003306626	0	56	0.0	-70.14	409.47	10.02	-60.12
O=C([O-])CC1(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCCC1	REAL300003306703	0	57	0.0	-72.77	421.58	8.32	-64.45
C[NH+](C)CC1=CC=CC(C(=O)NC2(CC(=O)[O-])CCCC2)=C1	REAL300003306707	0	46	0.0	-65.90	347.97	9.14	-56.76
O=C([O-])CC1(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300003306708	0	53	0.0	-55.05	384.77	11.07	-43.98
O=C([O-])CC1(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300003306708	1	53	0.0	-51.63	382.54	10.95	-40.68
CC[NH+]1CCN(CCC(=O)NC2(CC(=O)[O-])CCCC2)CC1	REAL300003306749	0	51	0.0	-62.14	368.78	6.33	-55.81
CCN1CC[NH+](CCC(=O)NC2(CC(=O)[O-])CCCC2)CC1	REAL300003306749	1	51	0.0	-54.53	368.36	6.29	-48.24
CC(C)C1=[NH+]C=CN1CCC(=O)NC1(CC(=O)[O-])CCCC1	REAL300003306755	1	47	0.0	-52.10	355.16	8.79	-43.31
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(CC(=O)[O-])CCCC3)=CC=C1N2	REAL300003306802	1	51	0.0	-75.18	382.71	9.57	-65.61
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3(CC(=O)[O-])CCCC3)=CC=C1N2	REAL300003306802	1	51	0.0	-75.49	382.93	9.57	-65.92
CC[NH+](CC)CC1=CC=C(C(=O)NC2(CC(=O)[O-])CCCC2)O1	REAL300003306842	0	49	0.0	-65.20	368.92	8.79	-56.41
CC1=CC=C(N2CCC(C(=O)NC3(CC(=O)[O-])CCCC3)CC2)[NH+]=C1	REAL300003306843	1	52	0.0	-62.19	384.08	8.71	-53.48
C[N@H+](CC(=O)NC1(CC(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300003306844	1	46	0.0	-51.49	346.41	9.24	-42.25
C[N@@H+](CC(=O)NC1(CC(=O)[O-])CCCC1)CC1=CC=CC=C1	REAL300003306844	1	46	0.0	-52.78	346.88	9.27	-43.51
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3(CC(=O)[O-])CCCC3)C=C2)CC1	REAL300003306847	0	58	0.0	-74.46	415.93	9.51	-64.95
O=C([O-])CC1(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCCC1	REAL300003306856	1	41	0.0	-70.80	329.06	7.09	-63.71
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1(CC(=O)[O-])CCCC1	REAL300003306883	0	53	0.0	-57.00	389.84	10.73	-46.27
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1(CC(=O)[O-])CCCC1	REAL300003306883	1	53	0.0	-54.56	389.51	10.65	-43.91
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2(CC(=O)[O-])CCCC2)C=C1	REAL300003306900	0	54	0.0	-73.92	412.23	10.10	-63.82
O=C([O-])CC1(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCCC1	REAL300003306914	0	50	0.0	-66.04	374.84	9.23	-56.81
C[N@@H+]1CC(C(=O)NC2(CC(=O)[O-])CCCC2)C(C(F)(F)F)C1	REAL300003307208	0	43	0.0	-63.32	316.74	7.43	-55.89
C[N@H+]1CC(C(=O)NC2(CC(=O)[O-])CCCC2)C(C(F)(F)F)C1	REAL300003307208	1	43	0.0	-44.21	326.86	7.12	-37.09
C[NH+](C)CCC1=CC=CC(C(=O)NC2(CC(=O)[O-])CCCC2)=C1	REAL300003307548	0	49	0.0	-72.11	370.41	9.96	-62.15
C[NH+](C)CCOC1=CC=C(C(=O)NC2(CC(=O)[O-])CCCC2)C=C1	REAL300003307553	0	50	0.0	-72.02	378.14	8.95	-63.07
O=C([O-])CC1(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CCCC1	REAL300003307625	0	56	0.0	-57.97	409.47	11.58	-46.39
CC1C[N@H+](CC2=CC=C(C(=O)NC3(CC(=O)[O-])CCCC3)C=C2)CCO1	REAL300003307627	1	54	0.0	-73.27	402.01	9.35	-63.92
CC1C[N@@H+](CC2=CC=C(C(=O)NC3(CC(=O)[O-])CCCC3)C=C2)CCO1	REAL300003307627	1	54	0.0	-72.93	402.02	9.37	-63.56
CC1=[NH+]C=C2C=CC(C(=O)NC3(CC(=O)[O-])CCCC3)=CN21	REAL300003307651	0	41	0.0	-57.65	321.35	8.94	-48.71
CC(C)C[N@@H+]1CCCC(C(=O)NC2(CC(=O)[O-])CCCC2)C1	REAL300003307688	0	52	0.0	-58.23	370.88	9.45	-48.78
CC(C)C[N@H+]1CCCC(C(=O)NC2(CC(=O)[O-])CCCC2)C1	REAL300003307688	1	52	0.0	-56.40	371.22	9.36	-47.04
O=C([O-])C1CCCCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003308759	0	53	0.0	-84.65	380.76	12.56	-72.09
CC1=[NH+]C=C2CCC(C(=O)N3CCCCCC3C(=O)[O-])CN21	REAL300003310047	1	45	0.0	-67.57	325.71	9.91	-57.66
CC1=NC(C[NH+]2CCC(C(=O)N3CCCCCC3C(=O)[O-])CC2)=CS1	REAL300003310099	1	52	0.0	-81.72	388.15	10.32	-71.40
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCCCC2C(=O)[O-])C=C1	REAL300003310161	0	56	0.0	-86.69	414.74	12.02	-74.67
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCCCC2C(=O)[O-])=C1	REAL300003310167	0	56	0.0	-86.52	416.03	14.32	-72.20
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCCCC2C(=O)[O-])=C1	REAL300003310167	1	56	0.0	-85.18	415.94	14.33	-70.85
C[NH+](C)CC1(C(=O)N2CCCCCC2C(=O)[O-])CCCCC1	REAL300003310235	0	52	0.0	-64.73	328.88	10.26	-54.47
C[N@H+](CCC(=O)N1CCCCCC1C(=O)[O-])C1CCCCC1	REAL300003310237	0	52	0.0	-72.89	361.07	11.31	-61.58
C[N@@H+](CCC(=O)N1CCCCCC1C(=O)[O-])C1CCCCC1	REAL300003310237	1	52	0.0	-73.28	361.06	11.31	-61.97
O=C([O-])C1CCCCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003310296	0	46	0.0	-91.83	349.32	9.83	-82.00
O=C([O-])C1CCCCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003310315	0	54	0.0	-85.90	370.20	9.54	-76.36
O=C([O-])C1CCCCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300003310339	1	50	0.0	-82.54	358.65	8.86	-73.68
CC[N@H+](CC1=CC=C(C(=O)N2CCCCCC2C(=O)[O-])C=C1)C(C)C	REAL300003310340	0	55	0.0	-90.63	380.25	12.01	-78.62
CC[N@@H+](CC1=CC=C(C(=O)N2CCCCCC2C(=O)[O-])C=C1)C(C)C	REAL300003310340	1	55	0.0	-88.64	376.18	11.81	-76.83
O=C([O-])C1CCCCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003310357	0	50	0.0	-73.65	361.51	11.54	-62.11
O=C([O-])C1CCCCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003310357	1	50	0.0	-71.99	364.03	11.59	-60.40
O=C([O-])C1CCCCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003310358	0	51	0.0	-85.48	361.23	11.14	-74.34
O=C([O-])C1CCCCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003310380	0	54	0.0	-73.46	358.94	9.20	-64.26
CC(C(=O)N1CCCCCC1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003310383	0	49	0.0	-66.91	352.83	11.35	-55.56
CC(C(=O)N1CCCCCC1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003310383	1	49	0.0	-69.05	349.17	11.02	-58.03
O=C([O-])C1CCCCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003310391	0	56	0.0	-75.25	401.38	13.27	-61.98
O=C([O-])C1CCCCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003310391	1	56	0.0	-76.73	400.10	13.03	-63.70
C[NH+](C)CC1=CC=C(C(=O)N2CCCCCC2C(=O)[O-])C=N1	REAL300003310408	0	45	0.0	-63.99	324.18	7.26	-56.73
CCC[NH+](CCC)CCCC(=O)N1CCCCCC1C(=O)[O-]	REAL300003310415	0	54	0.0	-74.89	381.57	11.49	-63.40
O=C([O-])C1CCCCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003310433	0	50	0.0	-91.77	361.56	11.72	-80.05
O=C([O-])C1CCCCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003310438	0	53	0.0	-84.36	382.50	12.61	-71.75
CCN1CCC([NH+]2CCC(C(=O)N3CCCCCC3C(=O)[O-])CC2)CC1	REAL300003310444	0	61	0.0	-79.25	413.36	10.14	-69.11
CC1C[NH+](CC2=CC=C(C(=O)N3CCCCCC3C(=O)[O-])C=C2)CC(C)O1	REAL300003310451	1	57	0.0	-94.56	412.54	11.53	-83.03
O=C([O-])C1CCCCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003310460	1	54	0.0	-87.33	389.74	11.74	-75.59
O=C([O-])C1CCCCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003310460	1	54	0.0	-87.33	389.73	11.75	-75.58
CC1=C(C(=O)N2CCCCCC2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003310474	1	44	0.0	-85.25	330.20	8.61	-76.64
O=C([O-])C1CCCCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003310477	0	53	0.0	-92.00	378.88	12.45	-79.55
O=C([O-])C1CCCCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003310488	1	46	0.0	-83.56	343.93	10.16	-73.40
C[NH+](C)CCC1=CC=C(C(=O)N2CCCCCC2C(=O)[O-])C=C1	REAL300003310489	0	49	0.0	-95.71	360.14	11.48	-84.23
O=C([O-])C1CCCCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003310493	1	51	0.0	-85.52	372.94	10.93	-74.59
O=C([O-])C1CCCCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003310493	1	51	0.0	-81.18	371.35	10.62	-70.56
CC(C(=O)N1CCCCCC1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003310502	0	59	0.0	-60.15	419.03	13.54	-46.61
CC(C(=O)N1CCCCCC1C(=O)[O-])[NH+]1CCSCC1	REAL300003310524	1	44	0.0	-62.20	312.73	9.00	-53.20
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCCCC1C(=O)[O-]	REAL300003310531	0	49	0.0	-62.72	361.24	11.83	-50.89
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCCCC1C(=O)[O-]	REAL300003310531	1	49	0.0	-63.01	361.26	11.83	-51.18
COCCOCC[N@H+](C)CCC(=O)N1CCCCCC1C(=O)[O-]	REAL300003310532	0	53	0.0	-71.59	388.83	7.91	-63.68
COCCOCC[N@@H+](C)CCC(=O)N1CCCCCC1C(=O)[O-]	REAL300003310532	1	53	0.0	-74.25	390.35	8.24	-66.01
O=C([O-])C1CCCCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003310539	0	58	0.0	-80.39	414.68	11.41	-68.98
C[N@H+](CC(=O)N1CCCCCC1C(=O)[O-])C1CCSC1	REAL300003310561	0	44	0.0	-64.62	320.12	9.35	-55.27
C[N@@H+](CC(=O)N1CCCCCC1C(=O)[O-])C1CCSC1	REAL300003310561	1	44	0.0	-64.50	321.45	9.61	-54.89
CC(C)[NH+]1CCN(CCC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300003310571	0	54	0.0	-79.37	377.55	8.80	-70.57
CC(C)N1CC[NH+](CCC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300003310571	1	54	0.0	-71.46	373.11	8.22	-63.24
CC(C)[NH+]1CCN(CCCC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300003310572	0	57	0.0	-70.30	392.69	8.77	-61.53
CC(C)N1CC[NH+](CCCC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300003310572	1	57	0.0	-68.75	394.30	8.94	-59.81
C[NH+](C)CCN1C=C(C(=O)N2CCCCCC2C(=O)[O-])C=N1	REAL300003310574	0	46	0.0	-85.91	344.80	8.70	-77.21
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCCCC3C(=O)[O-])CC2)=C1	REAL300003310577	0	58	0.0	-72.94	416.46	11.54	-61.40
O=C([O-])C1CCCCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003310579	0	55	0.0	-76.20	393.18	10.62	-65.58
O=C([O-])C1CCCCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003310582	0	52	0.0	-65.48	364.96	10.62	-54.86
O=C([O-])C1CCCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003310582	1	52	0.0	-67.67	367.98	10.52	-57.15
CC(C(=O)N1CCCCCC1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003310587	1	50	0.0	-65.19	356.86	11.57	-53.62
CC(C(=O)N1CCCCCC1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003310587	1	50	0.0	-63.83	357.74	11.55	-52.28
O=C([O-])C1CCCCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003310606	0	53	0.0	-80.64	383.84	12.35	-68.29
O=C([O-])C1CCCCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003310606	1	53	0.0	-77.79	387.58	12.73	-65.06
C[NH+](C)CCN1C=CC(C(=O)N2CCCCCC2C(=O)[O-])=N1	REAL300003310617	0	46	0.0	-98.27	344.10	9.35	-88.92
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCCCC1C(=O)[O-]	REAL300003310618	0	46	0.0	-65.23	338.68	8.35	-56.88
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCCCC1C(=O)[O-]	REAL300003310619	1	47	0.0	-61.24	346.91	10.28	-50.96
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCCCC2C(=O)[O-])=NN1	REAL300003310622	1	47	0.0	-87.99	342.83	8.67	-79.32
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCCCC2C(=O)[O-])=NN1	REAL300003310622	1	47	0.0	-85.05	345.25	8.90	-76.15
O=C([O-])C1CCCCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003310630	0	53	0.0	-65.48	376.44	12.45	-53.03
O=C([O-])C1CCCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003310630	1	53	0.0	-72.84	385.91	12.79	-60.05
O=C([O-])C1CCCCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003310634	0	54	0.0	-72.77	391.32	10.02	-62.75
O=C([O-])C1CCCCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003310670	0	53	0.0	-71.64	358.89	10.80	-60.84
O=C([O-])C1CCCCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003310670	1	53	0.0	-74.00	359.31	10.83	-63.17
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCCCC3C(=O)[O-])=C2)CC1	REAL300003310695	0	55	0.0	-86.41	399.61	10.18	-76.23
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCCCC3C(=O)[O-])C=C2)CC1	REAL300003310696	0	55	0.0	-92.98	395.38	9.88	-83.10
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCCCC3C(=O)[O-])C=C2)CC1	REAL300003310696	1	55	0.0	-90.60	395.73	9.95	-80.65
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCCCC2C(=O)[O-])C=C1	REAL300003310697	0	56	0.0	-86.83	398.64	11.52	-75.31
O=C([O-])C1CCCCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003310774	0	57	0.0	-96.00	410.89	9.80	-86.20
C[NH+](C)CC1=CC=CC(C(=O)N2CCCCCC2C(=O)[O-])=C1	REAL300003310778	0	46	0.0	-46.93	324.23	9.24	-37.69
O=C([O-])C1CCCCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003310779	0	53	0.0	-60.07	368.32	12.14	-47.93
O=C([O-])C1CCCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003310779	1	53	0.0	-62.93	369.83	12.35	-50.58
CC[NH+]1CCN(CCC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300003310820	0	51	0.0	-79.66	360.73	8.20	-71.46
CCN1CC[NH+](CCC(=O)N2CCCCCC2C(=O)[O-])CC1	REAL300003310820	1	51	0.0	-70.36	358.87	7.88	-62.48
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCCCC1C(=O)[O-]	REAL300003310826	1	47	0.0	-66.37	346.22	10.41	-55.96
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCCCC3C(=O)[O-])=CC=C1N2	REAL300003310873	1	51	0.0	-77.13	365.17	9.73	-67.40
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCCCC3C(=O)[O-])=CC=C1N2	REAL300003310873	1	51	0.0	-88.50	374.36	11.07	-77.43
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCCCC2C(=O)[O-])O1	REAL300003310913	0	49	0.0	-86.41	354.32	10.47	-75.94
CC1=CC=C(N2CCC(C(=O)N3CCCCCC3C(=O)[O-])CC2)[NH+]=C1	REAL300003310914	1	52	0.0	-82.04	370.36	10.06	-71.98
C[N@H+](CC(=O)N1CCCCCC1C(=O)[O-])CC1=CC=CC=C1	REAL300003310915	1	46	0.0	-67.15	338.82	11.03	-56.12
C[N@@H+](CC(=O)N1CCCCCC1C(=O)[O-])CC1=CC=CC=C1	REAL300003310915	1	46	0.0	-64.35	338.82	10.98	-53.37
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCCCC3C(=O)[O-])C=C2)CC1	REAL300003310918	0	58	0.0	-89.29	407.34	11.04	-78.25
O=C([O-])C1CCCCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003310927	1	41	0.0	-84.55	318.51	8.68	-75.87
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCCC1C(=O)[O-]	REAL300003310954	0	53	0.0	-84.18	379.91	12.26	-71.92
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCCC1C(=O)[O-]	REAL300003310954	1	53	0.0	-80.44	382.89	12.30	-68.14
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCCCC2C(=O)[O-])C=C1	REAL300003310971	0	54	0.0	-93.83	401.40	11.75	-82.08
O=C([O-])C1CCCCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003310985	0	50	0.0	-87.01	364.55	11.21	-75.80
C[N@@H+]1CC(C(=O)N2CCCCCC2C(=O)[O-])C(C(F)(F)F)C1	REAL300003311279	0	43	0.0	-69.14	300.24	8.81	-60.33
C[N@H+]1CC(C(=O)N2CCCCCC2C(=O)[O-])C(C(F)(F)F)C1	REAL300003311279	1	43	0.0	-77.04	324.56	9.00	-68.04
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCCCC2C(=O)[O-])=C1	REAL300003311619	0	49	0.0	-85.42	363.43	11.60	-73.82
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCCCC2C(=O)[O-])C=C1	REAL300003311624	0	50	0.0	-88.75	367.12	10.42	-78.33
O=C([O-])C1CCCCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003311696	0	56	0.0	-72.16	400.62	13.01	-59.15
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCCCC3C(=O)[O-])C=C2)CCO1	REAL300003311698	1	54	0.0	-64.42	375.45	9.11	-55.31
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCCCC3C(=O)[O-])C=C2)CCO1	REAL300003311698	1	54	0.0	-95.83	385.42	10.86	-84.97
CC1=[NH+]C=C2C=CC(C(=O)N3CCCCCC3C(=O)[O-])=CN21	REAL300003311722	0	41	0.0	-65.12	312.35	10.49	-54.63
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCCCC2C(=O)[O-])C1	REAL300003311759	0	52	0.0	-59.42	347.89	10.81	-48.61
CC(C)C[N@H+]1CCCC(C(=O)N2CCCCCC2C(=O)[O-])C1	REAL300003311759	1	52	0.0	-68.93	357.96	10.68	-58.25
CN(CCC(=O)[O-])C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003312756	0	46	0.0	-78.47	350.15	9.76	-68.71
CN(CCC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300003313867	1	43	0.0	-69.38	352.06	9.80	-59.58
CN(CCC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300003313867	1	43	0.0	-68.64	353.83	9.79	-58.85
CN(CCC(=O)[O-])C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300003313909	0	46	0.0	-65.14	351.77	9.63	-55.51
CC1=NC(C[NH+]2CCC(C(=O)N(C)CCC(=O)[O-])CC2)=CS1	REAL300003313941	1	45	0.0	-78.42	358.80	7.57	-70.85
CN(CCC(=O)[O-])C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003313973	0	49	0.0	-78.05	388.11	9.56	-68.49
CN(CCC(=O)[O-])C(=O)C1=CC(C[N@H+](C)CC2=CC=CC=C2)=CC=C1	REAL300003313978	0	49	0.0	-87.28	386.82	11.50	-75.78
CN(CCC(=O)[O-])C(=O)C1=CC(C[N@@H+](C)CC2=CC=CC=C2)=CC=C1	REAL300003313978	1	49	0.0	-77.82	386.81	11.51	-66.31
CN(CCC(=O)[O-])C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003313979	0	49	0.0	-70.23	358.74	9.89	-60.34
CN(CCC(=O)[O-])C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003314005	0	46	0.0	-70.63	360.16	9.47	-61.16
CN(CCC(=O)[O-])C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003314005	1	46	0.0	-73.97	361.61	9.58	-64.39
CN(CCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300003314033	1	46	0.0	-66.68	356.68	9.93	-56.75
CN(CCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300003314033	1	46	0.0	-69.52	350.32	9.67	-59.85
CN(CCC(=O)[O-])C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300003314034	1	43	0.0	-70.48	341.74	9.34	-61.14
CN(CCC(=O)[O-])C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300003314034	1	43	0.0	-69.56	343.50	9.34	-60.22
CN(CCC(=O)[O-])C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1	REAL300003314073	0	49	0.0	-80.52	387.60	9.14	-71.38
CC[N@H+](CC1=CC=C(C(=O)N(C)CCC(=O)[O-])C=C1)C(C)C	REAL300003314099	0	48	0.0	-77.09	356.49	9.39	-67.70
CC[N@@H+](CC1=CC=C(C(=O)N(C)CCC(=O)[O-])C=C1)C(C)C	REAL300003314099	1	48	0.0	-78.26	350.10	9.14	-69.12
CN(CCC(=O)[O-])C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003314113	0	44	0.0	-80.43	334.06	8.47	-71.96
CN(CCC(=O)[O-])C(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300003314130	1	48	0.0	-61.36	359.96	7.09	-54.27
CN(CCC(=O)[O-])C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003314136	0	49	0.0	-63.32	367.56	10.83	-52.49
CN(CCC(=O)[O-])C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003314136	1	49	0.0	-63.98	366.57	10.75	-53.23
CN(CCC(=O)[O-])C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300003314165	0	47	0.0	-62.89	360.61	6.65	-56.24
CN(CCC(=O)[O-])C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003314178	0	46	0.0	-73.52	351.68	9.77	-63.75
CCN1CCC([NH+]2CCC(C(=O)N(C)CCC(=O)[O-])CC2)CC1	REAL300003314183	0	54	0.0	-74.78	379.98	7.25	-67.53
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)CCC(=O)[O-])=C1	REAL300003314185	0	56	0.0	-76.09	430.88	13.32	-62.77
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)CCC(=O)[O-])=C1	REAL300003314185	1	56	0.0	-79.38	432.43	13.18	-66.20
CC1C[NH+](CC2=CC=C(C(=O)N(C)CCC(=O)[O-])C=C2)CC(C)O1	REAL300003314189	1	50	0.0	-85.34	383.84	8.80	-76.54
CN(CCC(=O)[O-])C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003314199	1	47	0.0	-82.28	361.58	9.28	-73.00
CN(CCC(=O)[O-])C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003314199	1	47	0.0	-80.09	368.31	9.34	-70.75
CN(CCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300003314212	0	46	0.0	-63.01	350.17	9.87	-53.14
CN(CCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300003314212	1	46	0.0	-65.11	343.53	9.56	-55.55
CN(CCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003314215	0	46	0.0	-81.77	350.26	9.72	-72.05
CN(CCC(=O)[O-])C(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300003314222	0	56	0.0	-71.05	425.98	13.18	-57.87
CN(CCC(=O)[O-])C(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1	REAL300003314222	1	56	0.0	-73.43	424.77	12.71	-60.72
CN(CCC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003314225	1	44	0.0	-80.19	342.95	8.61	-71.58
CN(CCC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003314225	1	44	0.0	-77.26	344.70	8.65	-68.61
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N(C)CCC(=O)[O-]	REAL300003314226	0	53	0.0	-63.05	399.33	10.42	-52.63
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N(C)CCC(=O)[O-]	REAL300003314226	1	53	0.0	-60.99	393.67	10.21	-50.78
CC(C(=O)N(C)CCC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003314233	0	52	0.0	-66.22	390.68	11.24	-54.98
CN(CCC(=O)[O-])C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003314252	0	51	0.0	-76.39	388.33	8.96	-67.43
CN(CCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300003314253	1	45	0.0	-66.95	345.28	8.11	-58.84
CN(CCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300003314253	1	45	0.0	-69.50	338.55	7.82	-61.68
CN(CCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300003314254	1	45	0.0	-67.73	333.97	7.59	-60.14
CN(CCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300003314254	1	45	0.0	-64.43	333.97	7.67	-56.76
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)CCC(=O)[O-])CC2)=C1	REAL300003314269	0	51	0.0	-74.58	388.24	8.82	-65.76
CN(CCC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003314270	0	48	0.0	-74.80	366.84	8.16	-66.64
CN(CCC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003314272	0	45	0.0	-72.98	346.59	8.01	-64.97
CN(CCC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003314272	1	45	0.0	-72.51	346.30	7.92	-64.59
CC(C(=O)N(C)CCC(=O)[O-])[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300003314275	1	48	0.0	-68.77	366.73	7.95	-60.82
CCC(CC)C(C(=O)N(C)CCC(=O)[O-])[NH+]1CCOCC1	REAL300003314280	1	49	0.0	-63.09	340.58	6.72	-56.37
CN(CCC(=O)[O-])C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003314294	0	46	0.0	-76.26	359.17	10.06	-66.20
CN(CCC(=O)[O-])C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003314294	1	46	0.0	-76.42	359.51	10.06	-66.36
CN(CCC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003314307	0	46	0.0	-72.51	356.58	9.77	-62.74
CN(CCC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003314307	1	46	0.0	-72.67	357.84	9.84	-62.83
CN(CCC(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003314309	0	47	0.0	-74.57	364.56	7.57	-67.00
CN(CCC(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300003314333	0	51	0.0	-78.08	380.68	8.51	-69.57
CN(CCC(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300003314333	1	51	0.0	-77.09	382.18	8.85	-68.24
CC(C)[N@@H+]1CCC(C(=O)N(C)CCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003314335	0	52	0.0	-70.77	380.62	8.57	-62.20
CC(C)[N@H+]1CCC(C(=O)N(C)CCC(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003314335	1	52	0.0	-81.05	380.24	8.02	-73.03
CN(CCC(=O)[O-])C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1	REAL300003314336	0	46	0.0	-82.58	345.17	6.90	-75.68
CN(CCC(=O)[O-])C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1	REAL300003314336	1	46	0.0	-81.98	347.16	6.99	-74.99
CN(CCC(=O)[O-])C(=O)C1=CC(CN2CC[NH+](C)CC2)=CC=C1	REAL300003314339	0	48	0.0	-71.65	368.79	7.34	-64.31
CN(CCC(=O)[O-])C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300003314340	0	48	0.0	-79.65	366.74	7.16	-72.49
CN(CCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300003314340	1	48	0.0	-82.63	367.08	7.22	-75.41
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)CCC(=O)[O-])C=C1	REAL300003314341	0	49	0.0	-78.65	373.87	9.06	-69.59
CN(CCC(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003314368	0	50	0.0	-85.08	382.26	7.09	-77.99
CN(CCC(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003314370	0	46	0.0	-68.51	350.21	9.70	-58.81
CN(CCC(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003314370	1	46	0.0	-65.64	345.03	9.95	-55.69
CN(CCC(=O)[O-])C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003314410	0	44	0.0	-67.65	344.35	6.23	-61.42
CN(CCC(=O)[O-])C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003314410	1	44	0.0	-68.71	343.90	6.21	-62.50
CN(CCC(=O)[O-])C(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1	REAL300003314413	0	42	0.0	-58.36	330.23	8.73	-49.63
CC[NH+](CC)C(C(=O)N(C)CCC(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003314415	0	48	0.0	-65.96	368.99	10.05	-55.91
CN(CCC(=O)[O-])C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1	REAL300003314429	1	44	0.0	-61.12	346.24	9.61	-51.51
CC(C)C(C(=O)N(C)CCC(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300003314430	1	49	0.0	-58.97	352.92	7.22	-51.75
CN(CCC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300003314444	1	44	0.0	-86.49	345.06	8.34	-78.15
CN(CCC(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300003314444	1	44	0.0	-84.44	345.42	8.32	-76.12
CC1=CC=C(N2CCC(C(=O)N(C)CCC(=O)[O-])CC2)[NH+]=C1	REAL300003314472	1	45	0.0	-71.72	343.10	7.61	-64.11
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)CCC(=O)[O-])C=C2)CC1	REAL300003314474	0	51	0.0	-81.39	377.06	8.27	-73.12
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(C)CCC(=O)[O-]	REAL300003314491	0	46	0.0	-69.97	354.05	9.89	-60.08
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(C)CCC(=O)[O-]	REAL300003314491	1	46	0.0	-75.13	356.07	9.65	-65.48
CN(CCC(=O)[O-])C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003314504	0	47	0.0	-81.50	375.69	9.28	-72.22
CN(CCC(=O)[O-])C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300003314527	0	45	0.0	-71.89	345.76	7.90	-63.99
CN(CCC(=O)[O-])C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300003314527	1	45	0.0	-63.46	347.01	7.91	-55.55
CN(CCC(=O)[O-])C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300003314631	0	47	0.0	-75.79	356.95	9.98	-65.81
CN(CCC(=O)[O-])C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300003314631	1	47	0.0	-73.61	359.94	10.01	-63.60
CN(CCC(=O)[O-])C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300003314651	1	46	0.0	-69.98	345.24	9.49	-60.49
CN(CCC(=O)[O-])C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300003314651	1	46	0.0	-68.22	357.59	10.00	-58.22
CN(CCC(=O)[O-])C(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300003314896	0	54	0.0	-87.08	415.31	9.69	-77.39
CN(CCC(=O)[O-])C(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300003314896	1	54	0.0	-89.02	418.21	9.79	-79.23
CN(CCC(=O)[O-])C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003314919	0	49	0.0	-69.93	373.74	10.76	-59.17
CC1C[N@H+](CC2=CC=C(C(=O)N(C)CCC(=O)[O-])C=C2)CCO1	REAL300003314920	1	47	0.0	-83.36	357.46	8.09	-75.27
CC1C[N@@H+](CC2=CC=C(C(=O)N(C)CCC(=O)[O-])C=C2)CCO1	REAL300003314920	1	47	0.0	-84.07	357.52	8.09	-75.98
CN(CCC(=O)[O-])C(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F	REAL300003314944	0	55	0.0	-61.76	391.69	10.98	-50.78
CN(CCC(=O)[O-])C(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F	REAL300003314944	1	55	0.0	-81.97	406.60	11.04	-70.93
C#CCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003316048	0	45	0.0	-72.71	363.51	9.47	-63.24
C#CCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003316718	0	42	0.0	-50.07	339.35	8.47	-41.60
C#CCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003316718	1	42	0.0	-49.62	337.91	8.41	-41.21
C#CCC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300003317350	0	45	0.0	-61.55	365.61	9.50	-52.05
C#CCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300003317390	1	44	0.0	-71.91	370.99	7.35	-64.56
C#CCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003317428	0	48	0.0	-76.55	396.52	9.10	-67.45
C#CCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003317435	0	48	0.0	-78.50	397.55	11.37	-67.13
C#CCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003317435	1	48	0.0	-76.32	397.32	11.44	-64.88
C#CCC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003317436	0	48	0.0	-55.15	376.44	9.93	-45.22
C#CCC(NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003317471	0	45	0.0	-63.10	378.01	9.61	-53.49
C#CCC(NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003317471	1	45	0.0	-55.21	379.18	9.88	-45.33
C#CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003317505	1	45	0.0	-59.28	354.90	9.31	-49.97
C#CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003317505	1	45	0.0	-59.85	366.89	9.55	-50.30
C#CCC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003317506	1	42	0.0	-58.58	346.11	8.52	-50.06
C#CCC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003317506	1	42	0.0	-59.37	347.00	8.49	-50.88
C#CCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300003317544	0	38	0.0	-77.31	331.02	6.98	-70.33
C#CCC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300003317549	0	48	0.0	-80.19	395.98	9.04	-71.15
C#CCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300003317571	0	46	0.0	-76.00	354.41	6.56	-69.44
C#CCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300003317585	0	47	0.0	-75.66	368.55	9.43	-66.23
C#CCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300003317585	1	47	0.0	-76.42	360.19	8.96	-67.46
C#CCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003317600	0	42	0.0	-64.29	345.65	8.73	-55.56
C#CCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003317600	1	42	0.0	-64.10	345.84	8.68	-55.42
C#CCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300003317601	0	43	0.0	-71.57	342.51	7.93	-63.64
C#CCC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300003317620	1	47	0.0	-67.56	375.87	7.66	-59.90
C#CCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300003317621	0	46	0.0	-66.72	340.01	6.20	-60.52
C#CCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003317629	0	48	0.0	-68.68	386.09	10.41	-58.27
C#CCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003317629	1	48	0.0	-69.30	386.33	10.34	-58.96
C#CCC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300003317666	1	46	0.0	-56.55	369.77	6.28	-50.27
C#CCC(NC(=O)C(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300003317671	0	44	0.0	-58.97	341.41	8.64	-50.33
C#CCC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300003317672	1	38	0.0	-58.93	333.85	8.37	-50.56
C#CCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300003317684	0	42	0.0	-78.67	343.94	8.90	-69.77
C#CCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300003317688	0	45	0.0	-72.45	362.41	9.63	-62.82
C#CCC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300003317693	0	53	0.0	-68.24	397.32	7.30	-60.94
C#CCC(NC(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300003317695	0	55	0.0	-73.62	446.68	12.99	-60.63
C#CCC(NC(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300003317695	1	55	0.0	-70.92	444.89	12.75	-58.17
C#CCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300003317699	1	49	0.0	-83.66	395.68	8.68	-74.98
C#CCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003317709	1	46	0.0	-77.23	370.24	8.77	-68.46
C#CCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003317709	1	46	0.0	-76.35	376.78	8.88	-67.47
C#CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003317723	0	45	0.0	-52.18	361.37	9.45	-42.73
C#CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003317723	1	45	0.0	-53.13	351.88	9.26	-43.87
C#CCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300003317729	0	45	0.0	-80.19	362.10	9.59	-70.60
C#CCC(NC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300003317738	0	55	0.0	-68.18	437.53	12.36	-55.82
C#CCC(NC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300003317738	1	55	0.0	-66.02	437.36	12.49	-53.53
C#CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003317742	1	43	0.0	-70.07	349.65	8.16	-61.91
C#CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003317742	1	43	0.0	-54.31	348.85	8.18	-46.13
C#CCC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300003317746	0	52	0.0	-64.11	406.64	11.18	-52.93
C#CCC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300003317746	1	52	0.0	-61.97	399.70	10.83	-51.14
C#CCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003317754	0	51	0.0	-54.95	395.55	10.65	-44.30
C#CCC(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300003317774	0	45	0.0	-63.14	370.59	4.97	-58.17
C#CCC(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300003317774	1	45	0.0	-66.67	370.88	4.91	-61.76
C#CCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003317783	0	50	0.0	-70.54	396.16	8.47	-62.07
C#CCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003317802	0	49	0.0	-69.62	379.54	6.28	-63.34
C#CCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003317802	1	49	0.0	-66.56	375.02	6.10	-60.46
C#CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300003317806	0	50	0.0	-66.31	396.06	8.33	-57.98
C#CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003317807	0	47	0.0	-66.11	374.66	7.67	-58.44
C#CCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003317810	0	44	0.0	-65.83	352.51	7.93	-57.90
C#CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003317810	1	44	0.0	-67.48	358.67	7.63	-59.85
C#CCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003317812	1	42	0.0	-57.70	337.73	8.85	-48.85
C#CCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003317812	1	42	0.0	-56.13	338.15	8.80	-47.33
C#CCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003317834	0	45	0.0	-71.34	367.73	9.52	-61.82
C#CCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003317834	1	45	0.0	-70.70	365.40	9.53	-61.17
C#CCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003317848	0	45	0.0	-65.06	363.15	9.79	-55.27
C#CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003317848	1	45	0.0	-67.61	370.21	9.55	-58.06
C#CCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300003317849	1	41	0.0	-52.99	343.35	7.42	-45.57
C#CCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300003317849	1	41	0.0	-52.47	335.39	6.64	-45.83
C#CCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300003317851	0	46	0.0	-66.78	373.22	7.04	-59.74
C#CCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300003317869	1	45	0.0	-77.30	359.99	7.79	-69.51
C#CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300003317881	0	50	0.0	-70.01	396.60	8.36	-61.65
C#CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300003317881	1	50	0.0	-70.98	394.14	8.19	-62.79
C#CCC(NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003317883	0	51	0.0	-71.11	391.76	8.06	-63.05
C#CCC(NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003317883	1	51	0.0	-58.74	384.83	7.59	-51.15
C#CCC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003317884	0	45	0.0	-64.17	346.03	6.46	-57.71
C#CCC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003317884	1	45	0.0	-73.34	366.70	7.12	-66.22
C#CCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300003317887	0	47	0.0	-74.56	379.53	7.21	-67.35
C#CCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300003317888	0	47	0.0	-77.55	378.58	7.02	-70.53
C#CCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300003317888	1	47	0.0	-80.16	378.10	7.13	-73.03
C#CCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300003317889	0	48	0.0	-78.99	385.84	8.93	-70.06
C#CCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300003317920	0	49	0.0	-83.73	394.08	6.94	-76.79
C#CCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003317922	0	45	0.0	-62.84	363.02	9.52	-53.32
C#CCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003317922	1	45	0.0	-61.73	362.93	9.52	-52.21
C#CCC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003317963	0	43	0.0	-58.93	355.74	5.79	-53.14
C#CCC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003317963	1	43	0.0	-62.63	356.03	5.77	-56.86
C#CCC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300003317966	0	41	0.0	-54.30	341.95	8.11	-46.19
C#CCC(NC(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300003317968	0	47	0.0	-58.82	382.27	9.60	-49.22
C#CCC(NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300003317987	1	48	0.0	-50.34	365.23	7.49	-42.85
C#CCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003318004	1	43	0.0	-80.24	354.81	8.27	-71.97
C#CCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003318004	1	43	0.0	-80.11	355.60	8.26	-71.85
C#CCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300003318041	1	44	0.0	-69.03	356.49	7.44	-61.59
C#CCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300003318044	0	50	0.0	-79.99	388.62	8.23	-71.76
C#CCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003318068	0	45	0.0	-73.21	367.41	9.26	-63.95
C#CCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003318068	1	45	0.0	-67.50	364.30	9.31	-58.19
C#CCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003318081	0	46	0.0	-80.94	384.94	8.81	-72.13
C#CCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300003318093	0	42	0.0	-73.45	346.93	7.93	-65.52
C#CCC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003318111	0	44	0.0	-59.87	356.45	7.54	-52.33
C#CCC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003318111	1	44	0.0	-52.31	355.82	7.57	-44.74
C#CCC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003318248	0	46	0.0	-65.47	371.13	9.80	-55.67
C#CCC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003318248	1	46	0.0	-74.42	372.45	9.81	-64.61
C#CCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300003318274	1	45	0.0	-61.45	354.99	9.31	-52.14
C#CCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300003318274	1	45	0.0	-57.76	358.30	9.34	-48.42
C#CCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003318577	0	42	0.0	-80.44	350.63	7.58	-72.86
C#CCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003318618	0	48	0.0	-64.51	381.57	10.28	-54.23
C#CCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003318620	1	46	0.0	-82.64	367.97	8.02	-74.62
C#CCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003318620	1	46	0.0	-82.07	368.26	7.96	-74.11
C#CCC(NC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300003318654	0	54	0.0	-74.92	417.67	10.80	-64.12
C#CCC(NC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300003318654	1	54	0.0	-74.92	417.67	10.80	-64.12
O=C([O-])C1(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300003319794	0	47	0.0	-60.64	364.17	9.66	-50.98
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300003320484	0	44	0.0	-46.00	345.80	8.98	-37.02
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300003320484	1	44	0.0	-55.10	350.75	8.71	-46.39
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300003321080	1	44	0.0	-48.87	362.51	9.50	-39.37
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300003321080	1	44	0.0	-52.31	362.14	9.55	-42.76
O=C([O-])C1(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300003321134	0	47	0.0	-52.02	358.13	9.00	-43.02
CC1=NC(C[NH+]2CCC(C(=O)NCC3(C(=O)[O-])CC3)CC2)=CS1	REAL300003321175	1	46	0.0	-60.14	371.21	7.69	-52.45
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2(C(=O)[O-])CC2)C=C1	REAL300003321216	0	50	0.0	-65.91	396.79	9.07	-56.84
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300003321224	0	50	0.0	-71.71	397.95	11.50	-60.21
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300003321224	1	50	0.0	-71.54	397.89	11.51	-60.03
CC1(C(=O)NCC2(C(=O)[O-])CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003321225	0	50	0.0	-52.09	376.89	10.07	-42.02
O=C([O-])C1(CNC(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300003321260	0	47	0.0	-54.35	379.94	9.94	-44.41
O=C([O-])C1(CNC(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300003321260	1	47	0.0	-55.27	379.12	9.94	-45.33
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300003321294	1	47	0.0	-45.87	368.18	9.66	-36.21
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300003321294	1	47	0.0	-49.95	368.14	9.64	-40.31
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300003321295	1	44	0.0	-49.58	352.18	9.05	-40.53
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300003321295	1	44	0.0	-53.22	351.82	9.09	-44.13
O=C([O-])C1(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300003321334	0	40	0.0	-63.38	332.32	7.04	-56.34
C[NH+](C)CCN1N=CC(C(=O)NCC2(C(=O)[O-])CC2)=C1C1=CC=CC=C1	REAL300003321339	0	50	0.0	-75.77	402.92	8.87	-66.90
O=C([O-])C1(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300003321362	0	48	0.0	-62.69	354.80	6.70	-55.99
CC[N@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CC2)C=C1)C(C)C	REAL300003321377	0	49	0.0	-63.61	366.22	9.36	-54.25
CC[N@@H+](CC1=CC=C(C(=O)NCC2(C(=O)[O-])CC2)C=C1)C(C)C	REAL300003321377	1	49	0.0	-63.42	360.22	8.98	-54.44
O=C([O-])C1(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300003321396	0	44	0.0	-55.53	348.07	8.87	-46.66
O=C([O-])C1(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300003321396	1	44	0.0	-55.61	346.21	8.83	-46.78
O=C([O-])C1(CNC(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300003321397	0	45	0.0	-62.55	346.89	8.32	-54.23
C[NH+]1CCN(C(C(=O)NCC2(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300003321416	1	49	0.0	-61.90	379.61	7.58	-54.32
O=C(CC1([NH+]2CCOCC2)CCCC1)NCC1(C(=O)[O-])CC1	REAL300003321417	0	48	0.0	-55.54	340.48	6.32	-49.22
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300003321425	0	50	0.0	-53.99	380.48	10.68	-43.31
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300003321425	1	50	0.0	-58.80	386.73	10.48	-48.32
O=C([O-])C1(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CC1	REAL300003321462	1	48	0.0	-47.10	370.99	6.37	-40.73
CC[NH+](CC)C(C(=O)NCC1(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300003321467	0	46	0.0	-45.99	342.93	8.49	-37.50
C[NH+](C)C(C(=O)NCC1(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300003321468	1	40	0.0	-50.22	334.11	8.33	-41.89
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300003321480	0	44	0.0	-66.92	346.05	9.07	-57.85
O=C([O-])C1(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300003321485	0	47	0.0	-66.49	362.80	9.76	-56.73
CCN1CCC([NH+]2CCC(C(=O)NCC3(C(=O)[O-])CC3)CC2)CC1	REAL300003321490	0	55	0.0	-56.10	396.84	7.25	-48.85
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300003321492	0	57	0.0	-61.30	449.48	12.87	-48.43
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC2(C(=O)[O-])CC2)=C1	REAL300003321492	1	57	0.0	-53.57	443.68	13.05	-40.52
CC1C[NH+](CC2=CC=C(C(=O)NCC3(C(=O)[O-])CC3)C=C2)CC(C)O1	REAL300003321496	1	51	0.0	-69.93	396.11	8.80	-61.13
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NCC1(C(=O)[O-])CC1	REAL300003321506	1	48	0.0	-65.17	377.37	8.98	-56.19
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NCC1(C(=O)[O-])CC1	REAL300003321506	1	48	0.0	-63.81	370.71	8.91	-54.90
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300003321521	0	47	0.0	-47.69	352.35	9.41	-38.28
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300003321521	1	47	0.0	-46.36	361.70	9.57	-36.79
CC1=C(C(=O)NCC2(C(=O)[O-])CC2)C=NN1C1=CC=[NH+]C=C1	REAL300003321522	1	38	0.0	-71.52	318.84	6.31	-65.21
O=C([O-])C1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300003321529	0	47	0.0	-67.29	362.79	9.76	-57.53
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC1(C(=O)[O-])CC1	REAL300003321539	0	57	0.0	-63.18	437.99	12.50	-50.68
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC1(C(=O)[O-])CC1	REAL300003321539	1	57	0.0	-63.26	437.35	12.57	-50.69
O=C([O-])C1(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300003321544	1	45	0.0	-53.97	350.10	8.29	-45.68
O=C([O-])C1(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300003321544	1	45	0.0	-44.96	350.11	8.30	-36.66
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC1	REAL300003321548	0	54	0.0	-61.65	407.27	11.25	-50.40
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CC1	REAL300003321548	1	54	0.0	-59.98	400.10	10.97	-49.01
CC(C(=O)NCC1(C(=O)[O-])CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003321556	0	53	0.0	-49.59	401.34	10.90	-38.69
COCCOCC[N@H+](C)CCC(=O)NCC1(C(=O)[O-])CC1	REAL300003321577	0	47	0.0	-55.40	371.25	5.04	-50.36
COCCOCC[N@@H+](C)CCC(=O)NCC1(C(=O)[O-])CC1	REAL300003321577	1	47	0.0	-55.59	371.27	5.06	-50.53
O=C([O-])C1(CNC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300003321586	0	52	0.0	-62.09	397.38	8.57	-53.52
O=C([O-])C1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC1	REAL300003321587	1	46	0.0	-51.65	347.22	7.67	-43.98
O=C([O-])C1(CNC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC1	REAL300003321587	1	46	0.0	-48.85	347.32	7.68	-41.17
CC(C)[NH+]1CCN(CCCC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300003321606	0	51	0.0	-60.51	379.93	6.41	-54.10
CC(C)N1CC[NH+](CCCC(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300003321606	1	51	0.0	-58.11	376.25	6.20	-51.91
CC1=CC=CC(N2CC[NH+](CCC(=O)NCC3(C(=O)[O-])CC3)CC2)=C1	REAL300003321610	0	52	0.0	-57.08	396.93	8.33	-48.75
O=C([O-])C1(CNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300003321611	0	49	0.0	-57.11	375.52	7.66	-49.45
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300003321614	0	46	0.0	-64.57	362.83	7.60	-56.97
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300003321614	1	46	0.0	-56.19	352.81	7.96	-48.23
CC(C(=O)NCC1(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003321617	1	44	0.0	-48.07	341.44	8.79	-39.28
CC(C(=O)NCC1(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003321617	1	44	0.0	-45.99	341.46	8.80	-37.19
O=C([O-])C1(CNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300003321640	0	47	0.0	-60.77	368.24	9.64	-51.13
O=C([O-])C1(CNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300003321640	1	47	0.0	-66.74	372.57	9.26	-57.48
O=C([O-])C1(CNC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300003321654	0	47	0.0	-58.46	364.41	9.88	-48.58
O=C([O-])C1(CNC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC1	REAL300003321654	1	47	0.0	-55.42	364.34	9.88	-45.54
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC1	REAL300003321655	1	43	0.0	-43.56	343.93	7.49	-36.07
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC1	REAL300003321655	1	43	0.0	-51.56	343.93	7.31	-44.25
O=C([O-])C1(CNC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC1	REAL300003321657	0	48	0.0	-56.37	373.28	7.08	-49.29
CN1C=CN=C1C[NH+]1CCC(C(=O)NCC2(C(=O)[O-])CC2)CC1	REAL300003321676	1	47	0.0	-64.23	364.93	8.00	-56.23
O=C([O-])C1(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)CC1	REAL300003321689	0	52	0.0	-63.83	396.11	8.43	-55.40
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CC(C)(C)[N@H+]1CC[C@H](C(=O)NCC2(C(=O)[O-])CC2)[C@@H](C2=CC=C(F)C=C2F)C1	REAL300003322506	1	56	0.0	-59.31	418.94	10.88	-48.43
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CC1(C(=O)[O-])CN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003325113	1	47	0.0	-63.75	371.60	9.54	-54.21
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300003325147	1	47	0.0	-59.19	368.96	10.01	-49.18
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CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300003325148	1	44	0.0	-62.59	355.34	9.55	-53.04
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300003325148	1	44	0.0	-60.43	351.61	9.41	-51.02
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300003325187	0	40	0.0	-74.78	327.74	7.17	-67.61
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CC1(C(=O)[O-])CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300003325215	0	48	0.0	-73.92	355.03	7.15	-66.77
CC[N@H+](CC1=CC=C(C(=O)N2CC(C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300003325230	0	49	0.0	-77.23	365.20	9.65	-67.58
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300003325230	1	49	0.0	-79.70	356.44	9.31	-70.39
CC1(C(=O)[O-])CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003325249	0	44	0.0	-60.96	344.25	9.42	-51.54
CC1(C(=O)[O-])CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003325249	1	44	0.0	-63.34	347.53	9.53	-53.81
CC1(C(=O)[O-])CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300003325250	0	45	0.0	-74.92	344.14	8.66	-66.26
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CC1(C(=O)[O-])CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300003325270	0	48	0.0	-63.66	339.83	6.69	-56.97
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300003325278	0	50	0.0	-66.90	383.55	10.66	-56.24
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300003325278	1	50	0.0	-59.59	379.13	10.69	-48.90
CC1(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300003325315	1	48	0.0	-47.04	370.92	6.88	-40.16
CC[NH+](CC)C(C(=O)N1CC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003325320	0	46	0.0	-52.53	345.54	9.05	-43.48
C[NH+](C)C(C(=O)N1CC(C)(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300003325321	1	40	0.0	-59.80	329.91	8.82	-50.98
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300003325333	0	44	0.0	-78.94	341.49	9.16	-69.78
CC1(C(=O)[O-])CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300003325338	0	47	0.0	-73.71	358.25	9.86	-63.85
CCN1CCC([NH+]2CCC(C(=O)N3CC(C)(C(=O)[O-])C3)CC2)CC1	REAL300003325343	0	55	0.0	-65.05	392.90	7.70	-57.35
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N2CC(C)(C(=O)[O-])C2)=C1	REAL300003325345	0	57	0.0	-69.96	445.07	13.38	-56.58
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CC1C[NH+](CC2=CC=C(C(=O)N3CC(C)(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300003325349	1	51	0.0	-82.03	391.88	8.98	-73.05
CC1(C(=O)[O-])CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003325359	1	48	0.0	-73.09	372.03	9.33	-63.76
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CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300003325374	0	47	0.0	-55.24	362.50	9.93	-45.31
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300003325374	1	47	0.0	-53.29	362.90	9.96	-43.33
CC1=C(C(=O)N2CC(C)(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300003325375	1	38	0.0	-78.58	314.09	6.63	-71.95
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300003325382	0	47	0.0	-79.38	357.92	9.82	-69.56
CC1(C(=O)[O-])CN(C(=O)[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@]2(C)C2=CC=CC=C2)C1	REAL300003325392	0	57	0.0	-67.09	434.83	12.80	-54.29
CC1(C(=O)[O-])CN(C(=O)[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@]2(C)C2=CC=CC=C2)C1	REAL300003325392	1	57	0.0	-71.18	433.73	12.93	-58.25
CC1(C(=O)[O-])CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003325397	1	45	0.0	-59.54	352.35	8.88	-50.66
CC1(C(=O)[O-])CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003325397	1	45	0.0	-59.40	347.14	8.56	-50.84
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CC(C)(C(=O)[O-])C1	REAL300003325401	0	54	0.0	-62.64	406.86	11.23	-51.41
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CC(C)(C(=O)[O-])C1	REAL300003325401	1	54	0.0	-58.71	398.68	10.99	-47.72
CC(C(=O)N1CC(C)(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003325409	0	53	0.0	-58.65	402.82	11.28	-47.37
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COCCOCC[N@@H+](C)CCC(=O)N1CC(C)(C(=O)[O-])C1	REAL300003325430	1	47	0.0	-65.05	372.64	5.46	-59.59
CC1(C(=O)[O-])CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300003325439	0	52	0.0	-69.71	398.78	8.98	-60.73
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300003325440	1	46	0.0	-58.12	340.68	7.92	-50.20
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300003325440	1	46	0.0	-60.59	346.36	7.83	-52.76
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300003325441	1	46	0.0	-60.16	357.52	8.18	-51.98
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300003325441	1	46	0.0	-58.04	357.85	8.20	-49.84
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C)(C(=O)[O-])C2)CC1	REAL300003325459	0	51	0.0	-69.06	379.50	6.95	-62.11
CC(C)N1CC[NH+](CCCC(=O)N2CC(C)(C(=O)[O-])C2)CC1	REAL300003325459	1	51	0.0	-65.46	380.72	6.79	-58.67
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC(C)(C(=O)[O-])C3)CC2)=C1	REAL300003325463	0	52	0.0	-67.58	398.18	8.79	-58.79
CC1(C(=O)[O-])CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300003325464	0	49	0.0	-67.44	376.78	8.13	-59.31
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300003325467	0	46	0.0	-65.63	351.89	8.22	-57.41
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300003325467	1	46	0.0	-60.03	349.57	8.26	-51.77
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CC1(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300003325656	1	45	0.0	-46.72	358.65	10.10	-36.62
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C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C)(C(=O)[O-])C3)=CC=C1N2	REAL300003325675	1	45	0.0	-70.58	352.01	8.28	-62.30
CC1=CC=C(N2CCC(C(=O)N3CC(C)(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300003325715	1	46	0.0	-62.66	353.98	7.69	-54.97
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300003325718	0	52	0.0	-79.09	385.25	8.22	-70.87
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CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300003325771	0	44	0.0	-66.66	346.05	8.36	-58.30
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CC(C(=O)[O-])N(C)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003328145	0	44	0.0	-62.30	327.07	8.23	-54.07
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CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003328192	0	46	0.0	-73.03	344.82	9.60	-63.43
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CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300003328202	1	50	0.0	-78.87	377.04	8.56	-70.31
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CC(C(=O)[O-])N(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003328230	1	44	0.0	-55.13	328.86	8.24	-46.89
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CC(C(=O)[O-])N(C)C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003328248	0	51	0.0	-70.70	381.28	8.83	-61.87
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CC(C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003328264	0	48	0.0	-66.75	360.72	8.02	-58.73
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003328266	0	45	0.0	-64.95	332.88	7.98	-56.97
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003328266	1	45	0.0	-61.30	332.26	7.79	-53.51
CC(C(=O)[O-])N(C)C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003328280	0	46	0.0	-71.18	351.90	9.77	-61.41
CC(C(=O)[O-])N(C)C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003328280	1	46	0.0	-70.66	352.33	9.78	-60.88
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003328288	0	46	0.0	-66.32	349.93	9.54	-56.78
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003328288	1	46	0.0	-60.42	343.79	9.71	-50.71
CC(C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003328290	0	47	0.0	-66.54	357.51	7.44	-59.10
CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300003328307	0	48	0.0	-66.01	362.93	7.22	-58.79
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300003328308	0	48	0.0	-72.87	359.51	7.04	-65.83
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300003328308	1	48	0.0	-77.63	360.81	7.08	-70.55
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CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003328328	0	46	0.0	-59.41	337.42	9.64	-49.77
CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003328328	1	46	0.0	-55.11	337.63	9.79	-45.32
CC(C(=O)[O-])N(C)C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300003328382	1	44	0.0	-76.26	338.18	8.18	-68.08
CC(C(=O)[O-])N(C)C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300003328382	1	44	0.0	-77.62	336.15	8.12	-69.50
CC1=CC=C(N2CCC(C(=O)N(C)C(C)C(=O)[O-])CC2)[NH+]=C1	REAL300003328402	1	45	0.0	-65.55	336.47	7.36	-58.19
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)C(C)C(=O)[O-])C=C2)CC1	REAL300003328404	0	51	0.0	-76.82	369.82	8.16	-68.66
CC(C(=O)[O-])N(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300003328416	0	46	0.0	-61.86	346.32	9.72	-52.14
CC(C(=O)[O-])N(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300003328416	1	46	0.0	-63.19	348.05	9.75	-53.44
CC(C(=O)[O-])N(C)C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003328429	0	47	0.0	-76.97	369.07	9.03	-67.94
CC(C(=O)[O-])N(C)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003328744	0	49	0.0	-66.29	367.11	10.51	-55.78
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CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300003328745	1	47	0.0	-78.87	349.62	7.85	-71.02
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CC1=[NH+]C=C2CCC(C(=O)N(CC(=O)[O-])C3CCCC3)CN12	REAL300003331121	1	45	0.0	-53.89	336.65	9.44	-44.45
CC1=NC(C[NH+]2CCC(C(=O)N(CC(=O)[O-])C3CCCC3)CC2)=CS1	REAL300003331173	1	52	0.0	-76.67	396.41	9.77	-66.90
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C[NH+](C)CC1(C(=O)N(CC(=O)[O-])C2CCCC2)CCCCC1	REAL300003331309	0	52	0.0	-55.87	332.66	9.64	-46.23
C[N@H+](CCC(=O)N(CC(=O)[O-])C1CCCC1)C1CCCCC1	REAL300003331311	0	52	0.0	-46.33	362.26	10.35	-35.98
C[N@@H+](CCC(=O)N(CC(=O)[O-])C1CCCC1)C1CCCCC1	REAL300003331311	1	52	0.0	-47.73	362.26	10.35	-37.38
O=C([O-])CN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1CCCC1	REAL300003331370	0	46	0.0	-63.26	356.06	9.36	-53.90
O=C([O-])CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C1CCCC1	REAL300003331389	0	54	0.0	-68.90	370.94	8.82	-60.08
O=C([O-])CN(C(=O)CCCC[NH+]1CCOCC1)C1CCCC1	REAL300003331413	1	50	0.0	-60.34	367.01	8.56	-51.78
CC[N@H+](CC1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=C1)C(C)C	REAL300003331414	0	55	0.0	-62.71	393.80	11.87	-50.84
CC[N@@H+](CC1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=C1)C(C)C	REAL300003331414	1	55	0.0	-62.84	385.83	11.48	-51.36
O=C([O-])CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300003331431	0	50	0.0	-50.90	373.57	11.37	-39.53
O=C([O-])CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300003331431	1	50	0.0	-71.20	375.16	11.28	-59.92
O=C([O-])CN(C(=O)C1CC[NH+](C2CCSC2)CC1)C1CCCC1	REAL300003331432	0	51	0.0	-80.49	370.48	10.58	-69.91
O=C([O-])CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C1CCCC1	REAL300003331454	0	54	0.0	-51.49	364.56	8.75	-42.74
CC(C(=O)N(CC(=O)[O-])C1CCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300003331457	0	49	0.0	-39.27	360.41	10.82	-28.45
CC(C(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300003331457	1	49	0.0	-44.54	357.63	10.77	-33.77
O=C([O-])CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1CCCC1	REAL300003331465	0	56	0.0	-57.72	399.50	12.81	-44.91
O=C([O-])CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1CCCC1	REAL300003331465	1	56	0.0	-57.70	403.70	12.90	-44.80
C[NH+](C)CC1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=N1	REAL300003331482	0	45	0.0	-66.19	336.74	8.18	-58.01
CCC[NH+](CCC)CCCC(=O)N(CC(=O)[O-])C1CCCC1	REAL300003331489	0	54	0.0	-54.30	389.12	11.10	-43.20
O=C([O-])CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1CCCC1	REAL300003331507	0	50	0.0	-66.81	371.74	11.42	-55.39
O=C([O-])CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1CCCC1	REAL300003331512	0	53	0.0	-69.71	387.18	12.10	-57.61
CCN1CCC([NH+]2CCC(C(=O)N(CC(=O)[O-])C3CCCC3)CC2)CC1	REAL300003331518	0	61	0.0	-71.79	416.64	9.33	-62.46
CC1C[NH+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC(C)O1	REAL300003331525	1	57	0.0	-68.07	421.81	11.15	-56.92
O=C([O-])CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1CCCC1	REAL300003331534	1	54	0.0	-62.71	403.11	11.50	-51.21
O=C([O-])CN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CCCC1	REAL300003331534	1	54	0.0	-62.87	402.13	11.42	-51.45
CC1=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=NN1C1=CC=[NH+]C=C1	REAL300003331548	1	44	0.0	-75.27	344.43	8.66	-66.61
O=C([O-])CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCCC1	REAL300003331551	0	53	0.0	-66.43	384.50	11.99	-54.44
O=C([O-])CN(C(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1CCCC1	REAL300003331562	1	46	0.0	-69.86	352.37	9.64	-60.22
C[NH+](C)CCC1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300003331563	0	49	0.0	-71.10	365.74	11.02	-60.08
O=C([O-])CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1CCCC1	REAL300003331567	1	51	0.0	-29.55	360.60	10.27	-19.28
O=C([O-])CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CCCC1	REAL300003331567	1	51	0.0	-68.96	380.64	10.80	-58.16
CC(C(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003331576	0	59	0.0	-38.64	423.60	13.29	-25.35
CC(C(=O)N(CC(=O)[O-])C1CCCC1)[NH+]1CCSCC1	REAL300003331598	1	44	0.0	-37.99	315.70	8.53	-29.46
C[N@H+](CCC1=CC=CC=C1)CC(=O)N(CC(=O)[O-])C1CCCC1	REAL300003331605	0	49	0.0	-46.59	367.92	11.36	-35.23
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N(CC(=O)[O-])C1CCCC1	REAL300003331605	1	49	0.0	-46.96	368.27	11.27	-35.69
COCCOCC[N@H+](C)CCC(=O)N(CC(=O)[O-])C1CCCC1	REAL300003331606	0	53	0.0	-48.05	391.90	7.39	-40.66
COCCOCC[N@@H+](C)CCC(=O)N(CC(=O)[O-])C1CCCC1	REAL300003331606	1	53	0.0	-51.83	392.03	7.40	-44.43
O=C([O-])CN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCC1	REAL300003331613	0	58	0.0	-58.83	425.40	11.32	-47.51
C[N@H+](CC(=O)N(CC(=O)[O-])C1CCCC1)C1CCSC1	REAL300003331635	0	44	0.0	-46.36	328.47	9.08	-37.28
C[N@@H+](CC(=O)N(CC(=O)[O-])C1CCCC1)C1CCSC1	REAL300003331635	1	44	0.0	-41.83	323.19	8.95	-32.88
CC(C)[NH+]1CCN(CCC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300003331645	0	54	0.0	-59.29	378.99	7.75	-51.54
CC(C)N1CC[NH+](CCC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300003331645	1	54	0.0	-49.11	382.95	8.16	-40.95
CC(C)[NH+]1CCN(CCCC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300003331646	0	57	0.0	-57.82	400.70	8.74	-49.08
CC(C)N1CC[NH+](CCCC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300003331646	1	57	0.0	-54.21	401.90	8.73	-45.48
C[NH+](C)CCN1C=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=N1	REAL300003331648	0	46	0.0	-73.23	350.08	8.29	-64.94
CC1=CC=CC(N2CC[NH+](CCC(=O)N(CC(=O)[O-])C3CCCC3)CC2)=C1	REAL300003331651	0	58	0.0	-52.91	425.31	11.19	-41.72
O=C([O-])CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCCC1	REAL300003331653	0	55	0.0	-52.86	403.90	10.52	-42.34
O=C([O-])CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1CCCC1	REAL300003331656	0	52	0.0	-61.99	376.58	10.22	-51.77
O=C([O-])CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1CCCC1	REAL300003331656	1	52	0.0	-62.76	375.56	10.28	-52.48
CC(C(=O)N(CC(=O)[O-])C1CCCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003331661	1	50	0.0	-57.47	363.22	11.17	-46.30
CC(C(=O)N(CC(=O)[O-])C1CCCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003331661	1	50	0.0	-35.77	364.67	11.22	-24.55
O=C([O-])CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300003331680	0	53	0.0	-57.59	393.62	12.18	-45.41
O=C([O-])CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300003331680	1	53	0.0	-56.37	394.41	12.18	-44.19
C[NH+](C)CCN1C=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=N1	REAL300003331691	0	46	0.0	-69.04	352.76	8.98	-60.06
C[NH+](C)CCN1N=CC=C1C(=O)N(CC(=O)[O-])C1CCCC1	REAL300003331692	0	46	0.0	-58.66	341.39	8.10	-50.56
CCC1=[NH+]C=CN1C(C)CC(=O)N(CC(=O)[O-])C1CCCC1	REAL300003331693	1	47	0.0	-46.55	349.81	9.98	-36.57
C[N@@H+]1CCCC1C1=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=NN1	REAL300003331696	1	47	0.0	-65.77	352.82	8.49	-57.28
C[N@H+]1CCCC1C1=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=NN1	REAL300003331696	1	47	0.0	-63.87	352.56	8.55	-55.32
O=C([O-])CN(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1CCCC1	REAL300003331704	0	53	0.0	-61.73	388.07	12.05	-49.68
O=C([O-])CN(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1CCCC1	REAL300003331704	1	53	0.0	-61.61	387.12	12.20	-49.41
O=C([O-])CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1CCCC1	REAL300003331708	0	54	0.0	-53.26	401.66	9.94	-43.32
O=C([O-])CN(C(=O)C1CC[N@@H+](C2CCCCC2)C1)C1CCCC1	REAL300003331744	0	53	0.0	-68.19	375.88	10.82	-57.37
O=C([O-])CN(C(=O)C1CC[N@H+](C2CCCCC2)C1)C1CCCC1	REAL300003331744	1	53	0.0	-64.48	375.56	10.84	-53.64
C[NH+]1CCN(CC2=CC=CC(C(=O)N(CC(=O)[O-])C3CCCC3)=C2)CC1	REAL300003331769	0	55	0.0	-69.13	404.22	9.67	-59.46
C[NH+]1CCN(CC2=CC=C(C(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300003331770	0	55	0.0	-64.20	400.99	9.43	-54.77
CN1CC[NH+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300003331770	1	55	0.0	-66.53	401.32	9.48	-57.05
CC[NH+](CC)CCOC1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300003331771	0	56	0.0	-64.42	404.19	11.00	-53.42
O=C([O-])CN(C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1CCCC1	REAL300003331848	0	57	0.0	-68.27	418.90	9.42	-58.85
C[NH+](C)CC1=CC=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300003331852	0	46	0.0	-69.31	343.27	10.19	-59.12
O=C([O-])CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300003331853	0	53	0.0	-61.33	379.64	12.04	-49.29
O=C([O-])CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC1	REAL300003331853	1	53	0.0	-56.98	381.22	12.04	-44.94
CC[NH+]1CCN(CCC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300003331894	0	51	0.0	-60.34	366.19	7.47	-52.87
CCN1CC[NH+](CCC(=O)N(CC(=O)[O-])C2CCCC2)CC1	REAL300003331894	1	51	0.0	-49.18	369.71	7.84	-41.34
CC(C)C1=[NH+]C=CN1CCC(=O)N(CC(=O)[O-])C1CCCC1	REAL300003331900	1	47	0.0	-45.55	349.25	9.91	-35.64
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N(CC(=O)[O-])C3CCCC3)=CC=C1N2	REAL300003331947	1	51	0.0	-61.33	380.47	10.68	-50.65
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N(CC(=O)[O-])C3CCCC3)=CC=C1N2	REAL300003331947	1	51	0.0	-76.22	375.71	10.46	-65.76
CC[NH+](CC)CC1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)O1	REAL300003331987	0	49	0.0	-56.24	363.56	10.12	-46.12
CC1=CC=C(N2CCC(C(=O)N(CC(=O)[O-])C3CCCC3)CC2)[NH+]=C1	REAL300003331988	1	52	0.0	-56.09	377.43	9.83	-46.26
C[N@H+](CC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300003331989	1	46	0.0	-45.06	345.79	10.43	-34.63
C[N@@H+](CC(=O)N(CC(=O)[O-])C1CCCC1)CC1=CC=CC=C1	REAL300003331989	1	46	0.0	-44.60	345.41	10.51	-34.09
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CC1	REAL300003331992	0	58	0.0	-90.65	396.52	9.53	-81.12
O=C([O-])CN(C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CCCC1	REAL300003332001	1	41	0.0	-72.12	325.07	8.24	-63.88
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(CC(=O)[O-])C1CCCC1	REAL300003332028	0	53	0.0	-58.53	392.23	11.94	-46.59
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(CC(=O)[O-])C1CCCC1	REAL300003332028	1	53	0.0	-58.21	394.48	11.97	-46.24
C[NH+](C)CCOC1=CC=C(C=CC(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300003332045	0	54	0.0	-68.92	412.81	11.64	-57.28
O=C([O-])CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CCCC1	REAL300003332059	0	50	0.0	-53.51	371.76	10.79	-42.72
C[N@@H+]1CC(C(=O)N(CC(=O)[O-])C2CCCC2)C(C(F)(F)F)C1	REAL300003332353	0	43	0.0	-51.76	317.32	8.16	-43.60
C[N@H+]1CC(C(=O)N(CC(=O)[O-])C2CCCC2)C(C(F)(F)F)C1	REAL300003332353	1	43	0.0	-77.41	324.51	8.18	-69.23
C[NH+](C)CCC1=CC=CC(C(=O)N(CC(=O)[O-])C2CCCC2)=C1	REAL300003332693	0	49	0.0	-72.44	365.74	11.01	-61.43
C[NH+](C)CCOC1=CC=C(C(=O)N(CC(=O)[O-])C2CCCC2)C=C1	REAL300003332698	0	50	0.0	-66.56	372.93	9.96	-56.60
O=C([O-])CN(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCC1	REAL300003332770	0	56	0.0	-56.73	408.45	12.90	-43.83
CC1C[N@H+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CCO1	REAL300003332772	1	54	0.0	-67.82	392.85	10.43	-57.39
CC1C[N@@H+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CCCC3)C=C2)CCO1	REAL300003332772	1	54	0.0	-68.03	390.54	10.36	-57.67
CC1=[NH+]C=C2C=CC(C(=O)N(CC(=O)[O-])C3CCCC3)=CN21	REAL300003332796	0	41	0.0	-56.98	326.45	10.23	-46.75
CC(C)C[N@@H+]1CCCC(C(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300003332833	0	52	0.0	-59.20	357.28	10.52	-48.68
CC(C)C[N@H+]1CCCC(C(=O)N(CC(=O)[O-])C2CCCC2)C1	REAL300003332833	1	52	0.0	-57.26	357.12	10.47	-46.79
O=C([O-])COC1=CC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300003334140	0	51	0.0	-84.68	401.07	10.98	-73.70
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1	REAL300003334865	0	48	0.0	-73.66	378.02	9.89	-63.77
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1	REAL300003334865	1	48	0.0	-74.52	382.92	10.30	-64.22
O=C([O-])COC1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C1	REAL300003335813	0	45	0.0	-78.07	349.64	8.60	-69.47
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=C1	REAL300003335843	0	42	0.0	-74.63	330.75	7.61	-67.02
O=C([O-])COC1=CC=C(NC(=O)C2CCC[N@H+]2C2CC2)C=C1	REAL300003335843	1	42	0.0	-74.63	331.06	7.61	-67.02
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)CN21	REAL300003335849	1	43	0.0	-70.14	348.36	8.50	-61.64
O=C([O-])COC1=CC=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=C1	REAL300003335850	0	51	0.0	-79.21	395.19	11.56	-67.65
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=C(OCC(=O)[O-])C=C3)CC2)=CS1	REAL300003335929	1	50	0.0	-82.60	408.55	8.67	-73.93
CC(C(=O)NC1=CC=C(OCC(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300003335930	1	46	0.0	-75.30	353.77	5.59	-69.71
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300003336017	0	54	0.0	-79.64	434.26	10.51	-69.13
CC1(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003336031	0	54	0.0	-74.87	413.94	11.39	-63.48
O=C([O-])COC1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1	REAL300003336091	0	36	0.0	-76.40	310.65	9.25	-67.15
C[NH+](C)CC1(C(=O)NC2=CC=C(OCC(=O)[O-])C=C2)CCCCC1	REAL300003336124	0	50	0.0	-78.74	362.29	9.26	-69.48
C[N@H+](CCC(=O)NC1=CC=C(OCC(=O)[O-])C=C1)C1CCCCC1	REAL300003336129	0	50	0.0	-78.90	378.86	9.34	-69.56
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CC1=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300003340673	1	44	0.0	-76.83	361.47	10.05	-66.78
CC1=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C(C(=O)[O-])S1	REAL300003341607	0	41	0.0	-83.25	327.87	8.23	-75.02
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CC1=C(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C=C(C(=O)[O-])S1	REAL300003341799	0	50	0.0	-86.74	411.40	10.15	-76.59
CC1=C(NC(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C=C(C(=O)[O-])S1	REAL300003341811	0	50	0.0	-85.86	412.28	12.46	-73.40
CC1=C(NC(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C=C(C(=O)[O-])S1	REAL300003341811	1	50	0.0	-85.89	412.22	12.46	-73.43
CC1=C(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C=C(C(=O)[O-])S1	REAL300003341813	0	50	0.0	-77.49	391.19	11.01	-66.48
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CC1=C(NC(=O)C2(C[NH+](C)C)CCCCC2)C=C(C(=O)[O-])S1	REAL300003341902	0	46	0.0	-81.31	341.94	8.96	-72.35
CC1=C(NC(=O)CC[N@@H+](C)C2CCCCC2)C=C(C(=O)[O-])S1	REAL300003341906	0	46	0.0	-81.92	357.09	8.96	-72.96
CC1=C(NC(=O)CC[N@H+](C)C2CCCCC2)C=C(C(=O)[O-])S1	REAL300003341906	1	46	0.0	-81.97	357.10	8.97	-73.00
CC1=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C(C(=O)[O-])S1	REAL300003341986	0	40	0.0	-87.11	346.50	8.04	-79.07
CC1=C(NC(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)C=C(C(=O)[O-])S1	REAL300003341991	0	50	0.0	-86.94	415.10	10.21	-76.73
CC1=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C(C(=O)[O-])S1	REAL300003342015	0	47	0.0	-73.44	349.98	9.31	-64.13
CC1=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C(C(=O)[O-])S1	REAL300003342015	1	47	0.0	-71.50	355.00	9.23	-62.27
CC1=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C(C(=O)[O-])S1	REAL300003342016	0	48	0.0	-73.05	362.86	7.50	-65.55
CC1=[NH+]C=CN1CCCC(=O)NC1=C(C)SC(C(=O)[O-])=C1	REAL300003342048	1	38	0.0	-77.62	328.38	8.29	-69.33
CC1=C(NC(=O)CCCC[NH+]2CCOCC2)C=C(C(=O)[O-])S1	REAL300003342049	1	44	0.0	-85.07	355.67	6.98	-78.09
CC[N@H+](CC1=CC=C(C(=O)NC2=C(C)SC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300003342051	0	49	0.0	-91.35	376.37	10.15	-81.20
CC[N@@H+](CC1=CC=C(C(=O)NC2=C(C)SC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300003342051	1	49	0.0	-88.96	375.30	10.07	-78.89
CC1=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300003342075	0	44	0.0	-81.92	360.84	9.77	-72.15
CC1=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300003342075	1	44	0.0	-81.91	360.99	9.79	-72.12
CC1=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C=C(C(=O)[O-])S1	REAL300003342076	0	45	0.0	-91.15	362.24	9.25	-81.90
CC1=C(NC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C=C(C(=O)[O-])S1	REAL300003342104	1	49	0.0	-75.14	390.50	8.67	-66.47
CC1=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C(C(=O)[O-])S1	REAL300003342105	0	48	0.0	-83.40	354.45	7.24	-76.16
CC1=C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300003342110	1	43	0.0	-78.87	351.80	9.37	-69.50
CC1=C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300003342110	1	43	0.0	-79.05	353.53	9.38	-69.67
CC1=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300003342121	0	50	0.0	-84.03	401.37	11.42	-72.61
CC1=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300003342121	1	50	0.0	-83.75	400.84	11.42	-72.33
CC1=C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C=C(C(=O)[O-])S1	REAL300003342149	0	39	0.0	-88.34	331.33	7.40	-80.94
CCC[NH+](CCC)CCCC(=O)NC1=C(C)SC(C(=O)[O-])=C1	REAL300003342160	0	48	0.0	-80.44	380.08	9.60	-70.84
CC[N@H+](C)C(C(=O)NC1=C(C)SC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300003342162	1	43	0.0	-72.90	349.91	9.51	-63.39
CC[N@@H+](C)C(C(=O)NC1=C(C)SC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300003342162	1	43	0.0	-73.81	351.64	9.47	-64.34
CC[NH+](CC)C(C(=O)NC1=C(C)SC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300003342167	0	46	0.0	-75.84	356.29	9.60	-66.24
CC1=C(NC(=O)CN2C=C[NH+]=C2C(C)C)C=C(C(=O)[O-])S1	REAL300003342173	1	38	0.0	-72.88	324.33	8.11	-64.77
CC1=C(NC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C=C(C(=O)[O-])S1	REAL300003342175	1	40	0.0	-76.80	348.86	9.39	-67.41
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C(C(=O)[O-])S1	REAL300003342189	0	44	0.0	-92.09	361.65	10.01	-82.08
CC1=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=C(C(=O)[O-])S1	REAL300003342196	0	47	0.0	-82.06	377.31	10.73	-71.33
CCN1CCC([NH+]2CCC(C(=O)NC3=C(C)SC(C(=O)[O-])=C3)CC2)CC1	REAL300003342203	0	55	0.0	-86.17	411.48	8.19	-77.98
CC1=C(NC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C=C(C(=O)[O-])S1	REAL300003342210	1	51	0.0	-95.08	411.71	9.74	-85.34
CC1=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C=C(C(=O)[O-])S1	REAL300003342221	1	48	0.0	-93.29	385.13	9.79	-83.50
CC1=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C(C(=O)[O-])S1	REAL300003342221	1	48	0.0	-89.56	391.74	9.83	-79.73
CC1=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300003342237	1	47	0.0	-74.94	366.58	10.36	-64.58
CC1=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300003342237	1	47	0.0	-76.03	367.06	10.37	-65.66
CC1=C(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C=C(C(=O)[O-])S1	REAL300003342239	1	38	0.0	-87.24	331.58	7.23	-80.01
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C(C(=O)[O-])S1	REAL300003342247	0	47	0.0	-92.38	378.39	10.72	-81.66
CC1=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C(C(=O)[O-])S1	REAL300003342259	1	40	0.0	-84.15	341.92	7.56	-76.59
CC1=C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C=C(C(=O)[O-])S1	REAL300003342260	0	43	0.0	-94.22	358.04	9.71	-84.51
CC1=C(NC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)C=C(C(=O)[O-])S1	REAL300003342286	1	53	0.0	-75.30	415.10	11.91	-63.39
CC1=C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300003342333	1	43	0.0	-80.48	357.82	9.81	-70.67
CC1=C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300003342333	1	43	0.0	-80.44	357.82	9.82	-70.62
COCCOCC[N@H+](C)CCC(=O)NC1=C(C)SC(C(=O)[O-])=C1	REAL300003342334	0	47	0.0	-80.63	385.45	6.01	-74.62
COCCOCC[N@@H+](C)CCC(=O)NC1=C(C)SC(C(=O)[O-])=C1	REAL300003342334	1	47	0.0	-82.51	386.87	6.00	-76.51
CC1=C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C=C(C(=O)[O-])S1	REAL300003342338	0	41	0.0	-72.50	318.04	5.41	-67.09
CC1=C(NC(=O)CC2(O)CCC[N@H+](C)C2)C=C(C(=O)[O-])S1	REAL300003342338	1	41	0.0	-72.34	327.95	5.64	-66.70
CC1=C(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C(C(=O)[O-])S1	REAL300003342348	0	52	0.0	-85.78	411.71	9.52	-76.26
CCCCCC[N@H+](C)CC(=O)NC1=C(C)SC(C(=O)[O-])=C1	REAL300003342352	0	45	0.0	-78.89	362.41	9.14	-69.75
CCCCCC[N@@H+](C)CC(=O)NC1=C(C)SC(C(=O)[O-])=C1	REAL300003342352	1	45	0.0	-78.92	362.41	9.13	-69.79
CC1=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C(C(=O)[O-])S1	REAL300003342364	1	32	0.0	-88.55	289.13	8.89	-79.66
CC1=C(NC(=O)C[N@@H+](C)C2CCSC2)C=C(C(=O)[O-])S1	REAL300003342382	1	38	0.0	-81.95	316.90	7.62	-74.33
CC1=C(NC(=O)C[N@H+](C)C2CCSC2)C=C(C(=O)[O-])S1	REAL300003342382	1	38	0.0	-80.87	316.67	7.64	-73.23
CC1=C(NC(=O)CCN2CC[NH+](C(C)C)CC2)C=C(C(=O)[O-])S1	REAL300003342397	0	48	0.0	-81.42	374.04	6.55	-74.87
CC1=C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C=C(C(=O)[O-])S1	REAL300003342398	0	51	0.0	-78.84	395.53	7.35	-71.49
CC1=C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C=C(C(=O)[O-])S1	REAL300003342398	1	51	0.0	-81.59	391.08	7.19	-74.40
CC1=C(NC(=O)C2CCCC3CCC[N@@H+]32)C=C(C(=O)[O-])S1	REAL300003342399	0	41	0.0	-75.21	315.27	7.90	-67.31
CC1=C(NC(=O)C2CCCC3CCC[N@H+]32)C=C(C(=O)[O-])S1	REAL300003342399	1	41	0.0	-69.60	322.50	8.21	-61.39
CC1=C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C=C(C(=O)[O-])S1	REAL300003342401	0	40	0.0	-88.33	343.01	6.87	-81.46
CC1=C(NC(=O)CC[NH+]2CCN(C3=CC(C)=CC=C3)CC2)C=C(C(=O)[O-])S1	REAL300003342408	0	52	0.0	-85.14	412.89	9.38	-75.76
CC1=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C(C(=O)[O-])S1	REAL300003342410	0	49	0.0	-85.13	390.20	8.72	-76.41
CC1=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C=C(C(=O)[O-])S1	REAL300003342413	0	46	0.0	-82.52	368.75	9.00	-73.52
CC1=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C=C(C(=O)[O-])S1	REAL300003342413	1	46	0.0	-82.41	367.43	9.01	-73.40
CC1=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300003342446	0	47	0.0	-86.27	382.55	10.60	-75.67
CC1=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300003342446	1	47	0.0	-86.58	383.16	10.61	-75.97
CC1=C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C=C(C(=O)[O-])S1	REAL300003342461	0	40	0.0	-96.23	342.09	6.90	-89.33
CC1=C(NC(=O)C2=CC=NN2CC[NH+](C)C)C=C(C(=O)[O-])S1	REAL300003342462	0	40	0.0	-91.85	323.33	7.35	-84.50
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=C(C)SC(C(=O)[O-])=C1	REAL300003342468	1	41	0.0	-74.43	343.36	8.60	-65.83
CC1=C(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C=C(C(=O)[O-])S1	REAL300003342472	1	41	0.0	-87.51	343.35	6.46	-81.05
CC1=C(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C=C(C(=O)[O-])S1	REAL300003342472	1	41	0.0	-83.88	339.13	5.96	-77.92
CC1=C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C=C(C(=O)[O-])S1	REAL300003342484	0	47	0.0	-82.76	378.47	10.82	-71.94
CC1=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C=C(C(=O)[O-])S1	REAL300003342484	1	47	0.0	-75.59	378.91	10.84	-64.75
CC1=C(NC(=O)C(C)C[NH+]2CCOCC2)C=C(C(=O)[O-])S1	REAL300003342489	1	41	0.0	-80.90	330.26	6.08	-74.82
CC1=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C=C(C(=O)[O-])S1	REAL300003342490	0	48	0.0	-85.37	387.42	8.10	-77.27
CC1=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C(C(=O)[O-])S1	REAL300003342545	0	47	0.0	-78.31	363.06	9.31	-69.00
CC1=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C=C(C(=O)[O-])S1	REAL300003342545	1	47	0.0	-78.36	363.03	9.29	-69.07
CC1=C(NC(=O)C23CCC[NH+](CCC2)C3)C=C(C(=O)[O-])S1	REAL300003342564	0	41	0.0	-79.67	316.17	7.55	-72.12
CC1=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=C(C(=O)[O-])S1	REAL300003342568	0	41	0.0	-75.19	319.50	7.86	-67.33
CC1=C(NC(=O)C2CCC3CCCC[N@H+]32)C=C(C(=O)[O-])S1	REAL300003342568	1	41	0.0	-72.42	325.18	8.32	-64.10
CC1=C(NC(=O)C(C)(C)C[NH+]2CCOCC2)C=C(C(=O)[O-])S1	REAL300003342576	0	44	0.0	-75.43	338.36	6.47	-68.96
CC1=C(NC(=O)C2CC[N@@H+](C(C)C)CC2C2=CN(C)N=C2)C=C(C(=O)[O-])S1	REAL300003342581	0	53	0.0	-85.22	400.26	8.62	-76.60
CC1=C(NC(=O)C2CC[N@H+](C(C)C)CC2C2=CN(C)N=C2)C=C(C(=O)[O-])S1	REAL300003342581	1	53	0.0	-83.54	401.36	8.58	-74.96
CC1=C(NC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C=C(C(=O)[O-])S1	REAL300003342582	0	47	0.0	-92.53	382.47	8.19	-84.34
CC1=C(NC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C=C(C(=O)[O-])S1	REAL300003342582	1	47	0.0	-89.51	372.04	7.97	-81.54
CC1=C(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C=C(C(=O)[O-])S1	REAL300003342587	0	49	0.0	-79.83	394.24	8.29	-71.54
CC1=C(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C=C(C(=O)[O-])S1	REAL300003342588	0	49	0.0	-88.36	395.45	8.29	-80.07
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C=C(C(=O)[O-])S1	REAL300003342588	1	49	0.0	-93.22	393.64	8.17	-85.05
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300003342589	0	50	0.0	-88.15	396.69	9.72	-78.43
CC1=C(NC(=O)C2CC[NH+](C(C)C)CC2)C=C(C(=O)[O-])S1	REAL300003342596	0	43	0.0	-83.52	336.66	8.22	-75.30
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C=C(C(=O)[O-])S1	REAL300003342713	0	51	0.0	-94.77	410.07	8.02	-86.75
CC1=C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C=C(C(=O)[O-])S1	REAL300003342717	0	40	0.0	-83.03	335.75	8.87	-74.16
CC1=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300003342718	0	47	0.0	-75.71	372.71	10.78	-64.93
CC1=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300003342718	1	47	0.0	-78.00	378.27	10.56	-67.44
C#CC[NH+]1CCC(C(=O)NC2=C(C)SC(C(=O)[O-])=C2)CC1	REAL300003342785	0	39	0.0	-86.31	327.69	8.17	-78.14
CCC[N@@H+]1CCCCC1C(=O)NC1=C(C)SC(C(=O)[O-])=C1	REAL300003342787	0	43	0.0	-75.22	329.59	8.22	-67.00
CCC[N@H+]1CCCCC1C(=O)NC1=C(C)SC(C(=O)[O-])=C1	REAL300003342787	1	43	0.0	-74.53	329.21	8.19	-66.34
CC1=C(NC(=O)C2=CC=CC=C2C[NH+](C)C)C=C(C(=O)[O-])S1	REAL300003342789	0	40	0.0	-59.25	328.51	9.17	-50.08
CC[NH+]1CCN(CCC(=O)NC2=C(C)SC(C(=O)[O-])=C2)CC1	REAL300003342791	0	45	0.0	-83.80	354.85	5.90	-77.90
CCN1CC[NH+](CCC(=O)NC2=C(C)SC(C(=O)[O-])=C2)CC1	REAL300003342791	1	45	0.0	-81.11	356.01	6.04	-75.07
CC1=C(NC(=O)C(C(C)C)[NH+]2CCCCC2)C=C(C(=O)[O-])S1	REAL300003342793	0	46	0.0	-75.10	351.04	9.21	-65.89
CC1=C(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)C=C(C(=O)[O-])S1	REAL300003342794	1	40	0.0	-73.66	332.07	8.87	-64.79
CC1=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300003342798	0	45	0.0	-76.36	371.20	6.83	-69.53
CC1=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300003342798	1	45	0.0	-77.58	370.60	6.85	-70.73
CC1=C(NC(=O)CCN2C=C[NH+]=C2C(C)C)C=C(C(=O)[O-])S1	REAL300003342804	1	41	0.0	-73.80	342.82	8.54	-65.26
CC1=C(NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C=C(C(=O)[O-])S1	REAL300003342805	0	43	0.0	-63.94	364.00	9.21	-54.73
CC1=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C(C(=O)[O-])S1	REAL300003342810	0	44	0.0	-79.81	335.05	8.46	-71.35
CC1=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C(C(=O)[O-])S1	REAL300003342810	1	44	0.0	-76.47	343.55	8.77	-67.70
CC1=C(NC(=O)C(C)[NH+]2CCCCCC2)C=C(C(=O)[O-])S1	REAL300003342839	0	43	0.0	-72.62	327.73	7.81	-64.81
CC1=C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C=C(C(=O)[O-])S1	REAL300003342874	1	45	0.0	-87.50	370.35	9.30	-78.20
CC1=C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C=C(C(=O)[O-])S1	REAL300003342874	1	45	0.0	-87.57	371.84	9.27	-78.30
CC[NH+](CC)CC1=CC=C(C(=O)NC2=C(C)SC(C(=O)[O-])=C2)O1	REAL300003342932	0	43	0.0	-87.07	356.94	8.58	-78.49
CC1=C(NC(=O)CCCC[NH+]2CCCC2)C=C(C(=O)[O-])S1	REAL300003342933	0	43	0.0	-81.84	348.73	8.70	-73.14
CC1=C(NC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)C=C(C(=O)[O-])S1	REAL300003342935	1	46	0.0	-81.87	372.49	8.44	-73.43
CC1=C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300003342936	1	40	0.0	-82.44	334.06	8.98	-73.46
CC1=C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300003342936	1	40	0.0	-82.49	334.11	8.98	-73.51
CC1=C(NC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)C=C(C(=O)[O-])S1	REAL300003342940	0	52	0.0	-91.80	404.85	9.24	-82.56
CC1=C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C=C(C(=O)[O-])S1	REAL300003342984	1	36	0.0	-85.87	315.65	6.37	-79.50
CC1=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C=C(C(=O)[O-])S1	REAL300003342989	0	47	0.0	-83.24	379.05	10.45	-72.79
CC1=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C=C(C(=O)[O-])S1	REAL300003342989	1	47	0.0	-88.74	383.06	10.45	-78.29
CC1=C(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C=C(C(=O)[O-])S1	REAL300003343013	0	48	0.0	-91.20	399.87	9.84	-81.36
CC1=C(NC(=O)COC2CC[NH+](C)CC2)C=C(C(=O)[O-])S1	REAL300003343030	0	41	0.0	-88.92	338.64	7.35	-81.57
CC1=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C(C(=O)[O-])S1	REAL300003343036	0	44	0.0	-88.70	362.66	8.98	-79.72
CC1=C(NC(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C=C(C(=O)[O-])S1	REAL300003343077	0	46	0.0	-85.74	371.55	8.59	-77.15
CC1=C(NC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C=C(C(=O)[O-])S1	REAL300003343077	1	46	0.0	-77.95	370.52	8.64	-69.31
CCC[N@@H+]1CCCC(C(=O)NC2=C(C)SC(C(=O)[O-])=C2)C1	REAL300003343222	0	43	0.0	-78.36	340.92	8.39	-69.97
CCC[N@H+]1CCCC(C(=O)NC2=C(C)SC(C(=O)[O-])=C2)C1	REAL300003343222	1	43	0.0	-78.54	341.43	8.40	-70.14
CC1=C(NC(=O)C2CCC[N@H+]2CC(C)C)C=C(C(=O)[O-])S1	REAL300003343255	0	43	0.0	-77.92	331.67	8.46	-69.46
CC1=C(NC(=O)C2CCC[N@@H+]2CC(C)C)C=C(C(=O)[O-])S1	REAL300003343255	1	43	0.0	-74.90	341.47	8.54	-66.36
CC1=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C(C(=O)[O-])S1	REAL300003343353	0	48	0.0	-90.15	386.28	10.84	-79.31
CC1=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C(C(=O)[O-])S1	REAL300003343353	1	48	0.0	-87.94	387.21	10.83	-77.11
CC1=C(NC(=O)C2CCC[N@@H+](C(C)C)C2)C=C(C(=O)[O-])S1	REAL300003343480	0	43	0.0	-76.90	336.08	8.16	-68.74
CC1=C(NC(=O)C2CCC[N@H+](C(C)C)C2)C=C(C(=O)[O-])S1	REAL300003343480	1	43	0.0	-77.16	336.58	8.17	-68.99
CC1=C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C=C(C(=O)[O-])S1	REAL300003343481	0	37	0.0	-83.90	320.92	7.18	-76.72
CC1=C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C=C(C(=O)[O-])S1	REAL300003343481	1	37	0.0	-82.88	313.49	7.12	-75.76
CC1=C(C)[NH+]=C(CCC(=O)NC2=C(C)SC(C(=O)[O-])=C2)N1	REAL300003343506	1	38	0.0	-74.68	327.64	6.67	-68.01
CC1=C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C=C(C(=O)[O-])S1	REAL300003343988	0	43	0.0	-84.25	358.24	9.72	-74.53
CC1=C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C=C(C(=O)[O-])S1	REAL300003343995	0	44	0.0	-90.20	365.35	8.65	-81.55
CC1=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C(C(=O)[O-])S1	REAL300003344085	0	50	0.0	-81.55	397.10	11.33	-70.22
CC1=C(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C=C(C(=O)[O-])S1	REAL300003344087	1	48	0.0	-94.50	382.91	9.04	-85.46
CC1=C(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C=C(C(=O)[O-])S1	REAL300003344087	1	48	0.0	-94.54	382.91	9.04	-85.50
CC1=C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C=C(C(=O)[O-])S1	REAL300003344130	0	43	0.0	-73.44	329.48	8.06	-65.38
CC1=C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)C=C(C(=O)[O-])S1	REAL300003344196	0	46	0.0	-71.26	352.11	9.27	-61.99
CC1=C(NC(=O)C2CCC[N@H+](CC(C)C)C2)C=C(C(=O)[O-])S1	REAL300003344196	1	46	0.0	-71.26	352.11	9.27	-61.99
CC1=C(NC(=O)C2=CC=C(CN(C)C)O2)C=C(C(=O)[O-])S1	REAL300003344202	0	37	0.0	-89.95	321.07	7.11	-82.84
CC1=C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C=C(C(=O)[O-])S1	REAL300003344202	1	37	0.0	-89.95	321.07	7.11	-82.84
CC1=C(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C=C(C(=O)[O-])S1	REAL300003344208	0	46	0.0	-83.55	347.63	8.50	-75.05
CC1=C(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)C=C(C(=O)[O-])S1	REAL300003344208	1	46	0.0	-83.55	347.63	8.50	-75.05
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003345219	0	56	0.0	-89.28	426.34	12.80	-76.48
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300003346502	0	50	0.0	-85.04	374.26	10.45	-74.59
CC1=[NH+]C=C2CCC(C(=O)NC3=CC(C(=O)[O-])=CC=C3C(C)C)CN21	REAL300003346528	1	48	0.0	-74.76	372.95	10.33	-64.43
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C(C)N1CC[NH+](C)CC1	REAL300003346595	1	51	0.0	-79.75	377.87	7.47	-72.28
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CCCC[N@@H+]1C	REAL300003346629	1	46	0.0	-74.71	336.95	9.01	-65.70
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CCCC[N@H+]1C	REAL300003346629	1	46	0.0	-74.75	347.07	9.21	-65.54
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003346669	0	59	0.0	-89.07	459.93	12.41	-76.66
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C)CC1	REAL300003346702	0	46	0.0	-87.35	349.18	9.26	-78.09
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300003346727	0	41	0.0	-81.83	336.21	11.16	-70.67
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300003346756	0	55	0.0	-89.20	388.72	11.17	-78.03
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300003346760	0	55	0.0	-82.98	404.45	11.23	-71.75
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300003346760	1	55	0.0	-82.62	404.45	11.22	-71.40
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C)CC1	REAL300003346817	0	46	0.0	-87.35	349.18	9.26	-78.09
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003346820	0	49	0.0	-94.31	394.14	10.22	-84.09
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003346835	0	57	0.0	-90.04	417.58	9.90	-80.14
CC1=[NH+]C=CN1CCCC(=O)NC1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300003346864	1	47	0.0	-79.29	377.01	10.55	-68.74
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+]1CCOCC1	REAL300003346865	1	53	0.0	-86.40	404.31	9.24	-77.16
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1)C(C)C	REAL300003346867	0	58	0.0	-93.11	425.01	12.39	-80.72
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)C=C1)C(C)C	REAL300003346867	1	58	0.0	-89.16	423.81	12.29	-76.87
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003346904	0	53	0.0	-82.60	409.48	12.03	-70.57
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003346904	1	53	0.0	-80.97	409.17	12.03	-68.94
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003346905	0	54	0.0	-90.18	404.40	11.24	-78.94
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003346933	0	57	0.0	-84.71	402.07	9.54	-75.17
CCC(C(=O)NC1=CC(C(=O)[O-])=CC=C1C(C)C)[NH+](CC)CC	REAL300003346937	0	51	0.0	-70.17	369.84	9.91	-60.26
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300003346939	0	52	0.0	-80.43	399.45	11.59	-68.84
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300003346939	1	52	0.0	-78.89	397.76	11.69	-67.20
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003346948	0	59	0.0	-84.71	448.94	13.62	-71.09
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003346948	1	59	0.0	-71.56	442.60	13.83	-57.73
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300003346961	0	48	0.0	-90.49	379.97	9.66	-80.83
CCC[NH+](CCC)CCCC(=O)NC1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300003346967	0	57	0.0	-81.42	422.81	11.51	-69.91
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1C[N@H+](C)CCO1	REAL300003346969	1	44	0.0	-94.78	341.95	7.94	-86.84
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1C[N@@H+](C)CCO1	REAL300003346969	1	44	0.0	-93.18	342.76	7.93	-85.25
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300003346977	1	47	0.0	-73.14	375.40	10.43	-62.71
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003346992	0	53	0.0	-93.18	407.91	12.23	-80.95
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003346998	0	56	0.0	-82.86	425.76	12.98	-69.88
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1(C[NH+](C)C)CC1	REAL300003347004	0	46	0.0	-76.29	356.76	9.34	-66.95
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+](C)C	REAL300003347013	0	48	0.0	-84.56	370.44	9.73	-74.83
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003347023	1	57	0.0	-94.81	433.57	12.05	-82.76
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003347023	1	57	0.0	-91.00	440.63	12.09	-78.91
CC1=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300003347035	1	47	0.0	-88.32	380.20	9.51	-78.81
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003347038	0	56	0.0	-94.47	425.75	12.99	-81.48
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003347050	1	49	0.0	-85.85	390.56	9.82	-76.03
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300003347051	0	52	0.0	-96.85	406.68	11.98	-84.87
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003347058	1	54	0.0	-84.96	412.72	11.41	-73.55
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003347058	1	54	0.0	-90.53	420.74	11.55	-78.98
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)C1CCC1	REAL300003347078	0	46	0.0	-74.69	351.32	9.59	-65.10
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)C1CCC1	REAL300003347078	1	46	0.0	-74.36	352.39	9.60	-64.76
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300003347107	0	51	0.0	-78.11	375.22	10.17	-67.94
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300003347107	1	51	0.0	-77.35	372.69	10.02	-67.33
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300003347109	0	52	0.0	-80.93	403.92	12.05	-68.88
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300003347109	1	52	0.0	-80.81	405.18	12.08	-68.73
COCCOCC[N@H+](C)CCC(=O)NC1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300003347110	0	56	0.0	-81.34	433.98	8.27	-73.07
COCCOCC[N@@H+](C)CCC(=O)NC1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300003347110	1	56	0.0	-83.64	434.22	8.26	-75.38
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300003347114	0	50	0.0	-71.41	374.95	7.78	-63.63
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300003347114	1	50	0.0	-74.88	366.43	7.69	-67.19
CCCCCC[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300003347126	0	54	0.0	-78.63	408.81	11.36	-67.27
CCCCCC[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300003347126	1	54	0.0	-79.10	409.77	11.40	-67.70
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300003347140	1	41	0.0	-89.60	335.39	11.09	-78.51
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)C1CCSC1	REAL300003347154	1	47	0.0	-80.63	365.33	9.90	-70.73
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)C1CCSC1	REAL300003347154	1	47	0.0	-83.12	365.53	9.88	-73.24
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCN1CC[NH+](C(C)C)CC1	REAL300003347169	0	57	0.0	-83.37	416.28	8.43	-74.94
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CC[NH+]1CCN(C(C)C)CC1	REAL300003347169	1	57	0.0	-81.95	417.89	8.61	-73.34
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300003347170	0	60	0.0	-79.90	442.89	9.62	-70.28
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300003347170	1	60	0.0	-82.69	439.71	9.45	-73.24
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CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)CC[N@H+]1C	REAL300003347223	1	49	0.0	-78.28	366.38	9.88	-68.40
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300003347226	1	50	0.0	-85.45	386.08	8.13	-77.32
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300003347226	1	50	0.0	-89.53	391.80	8.71	-80.82
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300003347233	1	47	0.0	-93.22	357.91	8.29	-84.93
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300003347233	1	47	0.0	-92.08	357.22	8.64	-83.44
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003347237	0	56	0.0	-82.04	432.79	12.83	-69.21
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003347237	1	56	0.0	-76.01	425.87	13.05	-62.96
CC1=[NH+]C=CN1CC(=O)NC1=CC(C(=O)[O-])=CC=C1C(C)C	REAL300003347241	1	41	0.0	-74.62	335.47	9.27	-65.35
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C(C)C[NH+]1CCOCC1	REAL300003347243	0	50	0.0	-81.70	376.82	8.34	-73.36
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003347244	0	57	0.0	-86.34	436.06	10.36	-75.98
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C[NH+]1CCC(C)CC1	REAL300003347256	0	49	0.0	-78.91	368.61	10.13	-68.78
CC[N@@H+]1CCOC(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)C1	REAL300003347269	1	47	0.0	-92.38	359.74	8.59	-83.79
CC[N@H+]1CCOC(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)C1	REAL300003347269	1	47	0.0	-91.44	360.95	8.65	-82.79
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1	REAL300003347300	1	56	0.0	-88.33	426.43	11.16	-77.17
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003347301	0	56	0.0	-78.81	410.29	11.53	-67.28
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003347301	1	56	0.0	-82.76	410.09	11.47	-71.29
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1CCC[N@@H+]1C	REAL300003347308	0	49	0.0	-79.09	366.18	9.60	-69.49
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1CCC[N@H+]1C	REAL300003347308	1	49	0.0	-84.25	372.47	10.09	-74.16
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300003347318	0	50	0.0	-73.01	373.80	10.60	-62.41
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC2CCCC[N@H+]21	REAL300003347318	1	50	0.0	-76.78	365.50	10.08	-66.70
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300003347330	0	58	0.0	-80.06	442.87	10.55	-69.51
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300003347331	0	58	0.0	-91.05	441.85	10.51	-80.54
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300003347331	1	58	0.0	-95.27	441.18	10.38	-84.89
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CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C(C)C)CC1	REAL300003347341	0	52	0.0	-84.70	383.50	10.45	-74.25
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C12CC[NH+](CC1)C2	REAL300003347408	0	44	0.0	-84.44	337.53	8.19	-76.25
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CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300003347417	1	47	0.0	-82.95	346.16	8.82	-74.13
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CC[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CC=C1C(C)C)C1CC1	REAL300003347530	1	46	0.0	-72.66	351.05	9.41	-63.25
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C(C)[NH+]1CCCCCC1	REAL300003347557	0	52	0.0	-74.83	372.06	10.34	-64.49
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CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+]1CCCC1	REAL300003347635	0	52	0.0	-83.25	397.37	10.96	-72.29
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CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300003347638	1	49	0.0	-82.76	382.75	11.24	-71.52
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300003347638	1	49	0.0	-82.98	382.69	11.24	-71.74
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300003347685	1	45	0.0	-87.48	365.40	8.64	-78.84
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300003347689	0	56	0.0	-86.92	430.67	12.69	-74.23
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300003347689	1	56	0.0	-84.70	427.33	12.70	-72.00
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1C(C)C	REAL300003347704	0	49	0.0	-72.71	366.99	9.77	-62.94
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1C(C)C	REAL300003347704	1	49	0.0	-73.15	365.16	9.71	-63.44
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003347712	0	57	0.0	-92.91	448.51	12.11	-80.80
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)COC1CC[NH+](C)CC1	REAL300003347725	0	50	0.0	-89.88	386.24	9.63	-80.25
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003347730	0	53	0.0	-90.03	411.37	11.20	-78.83
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)C1	REAL300003347884	0	52	0.0	-69.31	382.68	10.79	-58.52
CCC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)C1	REAL300003347884	1	52	0.0	-79.74	388.35	10.63	-69.11
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C[NH+]1CCC(CO)CC1	REAL300003347911	1	50	0.0	-81.11	378.35	6.74	-74.37
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300003348099	0	52	0.0	-69.81	377.27	10.59	-59.22
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](C(C)C)C1	REAL300003348099	1	52	0.0	-77.84	384.12	10.36	-67.48
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300003348100	0	46	0.0	-83.24	359.57	9.33	-73.91
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300003348100	1	46	0.0	-82.76	358.28	9.28	-73.48
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)N1	REAL300003348123	1	47	0.0	-75.62	376.28	8.93	-66.69
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300003348527	0	52	0.0	-86.38	406.68	11.96	-74.42
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300003348535	0	53	0.0	-91.87	413.98	10.91	-80.96
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003348625	0	59	0.0	-77.35	445.80	13.58	-63.77
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300003348627	1	57	0.0	-95.80	430.48	11.24	-84.56
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300003348627	1	57	0.0	-96.58	430.48	11.24	-85.34
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300003348655	0	46	0.0	-80.20	355.73	9.38	-70.82
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300003348659	0	52	0.0	-77.96	377.02	10.26	-67.70
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC(C(=O)[O-])=CC=C3C(C)C)=CN21	REAL300003348663	0	44	0.0	-78.46	357.63	10.93	-67.53
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)C1	REAL300003348714	0	55	0.0	-72.60	401.18	11.55	-61.05
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)C1	REAL300003348714	1	55	0.0	-70.34	401.24	11.52	-58.82
CC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)C1	REAL300003348715	0	49	0.0	-78.99	368.07	9.91	-69.08
CC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2C(C)C)C1	REAL300003348715	1	49	0.0	-68.33	362.53	10.09	-58.24
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](C)C1	REAL300003348719	0	46	0.0	-81.21	349.20	9.23	-71.98
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](C)C1	REAL300003348719	1	46	0.0	-68.74	344.03	9.44	-59.30
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300003348721	1	46	0.0	-91.63	368.26	9.32	-82.31
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003348729	1	48	0.0	-79.73	360.54	10.17	-69.56
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300003348729	1	48	0.0	-83.40	361.82	10.72	-72.68
CC(CC(=O)[O-])NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003349717	0	46	0.0	-66.10	356.37	9.06	-57.04
CC(CC(=O)[O-])NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300003350828	1	43	0.0	-46.91	349.85	8.48	-38.43
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C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)=C1	REAL300003357242	0	50	0.0	-99.54	388.61	11.77	-87.77
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)C=C1	REAL300003357250	0	51	0.0	-93.29	395.94	10.72	-82.57
O=C([O-])C1=CC=CC2=C1CCN(C(=O)CC1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300003357347	0	57	0.0	-85.86	429.50	13.81	-72.05
CC1CN(CC2=CC=C(C(=O)N3CCC4=C(C=CC=C4C(=O)[O-])C3)C=C2)CCO1	REAL300003357349	0	55	0.0	-96.10	421.02	11.19	-84.91
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC4=C(C=CC=C4C(=O)[O-])C3)C=C2)CCO1	REAL300003357349	1	55	0.0	-97.21	419.23	11.15	-86.06
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC4=C(C=CC=C4C(=O)[O-])C3)C=C2)CCO1	REAL300003357349	1	55	0.0	-97.21	419.23	11.15	-86.06
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)C1	REAL300003357392	0	44	0.0	-82.36	338.73	9.53	-72.83
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)CC1	REAL300003357396	0	50	0.0	-82.65	357.72	10.22	-72.43
CC1=[NH+]C=C2C=CC(C(=O)N3CCC4=C(C=CC=C4C(=O)[O-])C3)=CN21	REAL300003357400	0	42	0.0	-82.47	345.94	10.93	-71.54
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)C1	REAL300003357464	0	53	0.0	-68.29	386.82	11.26	-57.03
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)C1	REAL300003357464	1	53	0.0	-82.65	386.48	11.25	-71.40
CC[N@@H+]1CCCC(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)C1	REAL300003357465	0	47	0.0	-68.38	349.43	9.91	-58.47
CC[N@H+]1CCCC(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)C1	REAL300003357465	1	47	0.0	-66.19	341.38	10.04	-56.15
C[N@@H+]1CCCC(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)C1	REAL300003357469	0	44	0.0	-87.20	333.63	9.33	-77.87
C[N@H+]1CCCC(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)C1	REAL300003357469	1	44	0.0	-84.42	329.92	9.18	-75.24
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)O1	REAL300003357471	1	44	0.0	-94.44	351.50	9.71	-84.73
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)C1	REAL300003357477	0	53	0.0	-75.07	369.59	10.37	-64.70
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(C=CC=C3C(=O)[O-])C2)C1	REAL300003357477	1	53	0.0	-74.85	362.14	9.95	-64.90
O=C([O-])C1=CC=CC2=C1CCN(C(=O)C13CC(C1)C[N@H+]3C1CC1)C2	REAL300003357480	1	46	0.0	-84.15	341.60	11.14	-73.01
COCC1=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=CC(C(=O)[O-])=C1	REAL300003358654	0	54	0.0	-89.62	425.86	10.42	-79.20
COCC1=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300003359325	0	51	0.0	-78.23	402.08	9.36	-68.87
COCC1=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300003359325	1	51	0.0	-79.60	406.72	9.81	-69.79
COCC1=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=CC(C(=O)[O-])=C1	REAL300003360250	0	48	0.0	-85.33	378.09	8.26	-77.07
COCC1=CC(NC(=O)C2CCC[N@@H+]2C2CC2)=CC(C(=O)[O-])=C1	REAL300003360277	0	45	0.0	-74.10	362.01	7.71	-66.39
COCC1=CC(NC(=O)C2CCC[N@H+]2C2CC2)=CC(C(=O)[O-])=C1	REAL300003360277	1	45	0.0	-75.09	356.55	7.57	-67.52
COCC1=CC(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)=CC(C(=O)[O-])=C1	REAL300003360283	1	46	0.0	-75.41	372.62	7.94	-67.47
COCC1=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300003360284	0	54	0.0	-76.31	419.66	9.90	-66.41
COCC1=CC(NC(=O)C2CCCC[N@@H+]2C)=CC(C(=O)[O-])=C1	REAL300003360366	1	44	0.0	-76.44	346.37	6.80	-69.64
COCC1=CC(NC(=O)C2CCCC[N@H+]2C)=CC(C(=O)[O-])=C1	REAL300003360366	1	44	0.0	-76.54	346.15	6.82	-69.72
COCC1=CC(NC(=O)C(C)N2CC[NH+](C)CC2)=CC(C(=O)[O-])=C1	REAL300003360367	1	49	0.0	-80.71	375.18	5.00	-75.71
COCC1=CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)=CC(C(=O)[O-])=C1	REAL300003360411	1	44	0.0	-78.11	336.56	6.63	-71.48
COCC1=CC(NC(=O)[C@@H]2CCCC[N@H+]2C)=CC(C(=O)[O-])=C1	REAL300003360411	1	44	0.0	-76.44	346.06	6.81	-69.63
COCC1=CC(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)=CC(C(=O)[O-])=C1	REAL300003360469	0	57	0.0	-83.56	437.95	10.84	-72.72
COCC1=CC(NC(=O)C2CC[NH+](C)CC2)=CC(C(=O)[O-])=C1	REAL300003360503	0	44	0.0	-88.14	348.55	6.87	-81.27
COCC1=CC(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=CC(C(=O)[O-])=C1	REAL300003360529	0	39	0.0	-82.59	334.63	8.71	-73.88
COCC1=CC(NC(=O)C2(C[NH+](C)C)CCCCC2)=CC(C(=O)[O-])=C1	REAL300003360563	0	53	0.0	-81.12	392.14	8.61	-72.51
COCC1=CC(NC(=O)CC[N@H+](C)C2CCCCC2)=CC(C(=O)[O-])=C1	REAL300003360568	0	53	0.0	-84.17	402.58	8.81	-75.36
COCC1=CC(NC(=O)CC[N@@H+](C)C2CCCCC2)=CC(C(=O)[O-])=C1	REAL300003360568	1	53	0.0	-83.83	402.59	8.80	-75.03
COCC1=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)=CC(C(=O)[O-])=C1	REAL300003360586	1	51	0.0	-81.69	408.50	9.42	-72.27
COCC1=CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=CC(C(=O)[O-])=C1	REAL300003360586	1	51	0.0	-83.54	414.48	9.95	-73.59
COCC1=CC(NC(=O)C2CC[NH+](C)CC2)=CC(C(=O)[O-])=C1	REAL300003360640	0	44	0.0	-88.14	348.55	6.87	-81.27
COCC1=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=CC(C(=O)[O-])=C1	REAL300003360645	0	47	0.0	-92.25	393.56	7.82	-84.43
COCC1=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=CC(C(=O)[O-])=C1	REAL300003360669	0	54	0.0	-66.90	400.94	8.96	-57.94
COCC1=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=CC(C(=O)[O-])=C1	REAL300003360669	1	54	0.0	-75.76	397.10	9.13	-66.63
COCC1=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=CC(C(=O)[O-])=C1	REAL300003360670	0	55	0.0	-90.92	415.98	7.47	-83.45
COCC1=CC(NC(=O)CCCN2C=C[NH+]=C2C)=CC(C(=O)[O-])=C1	REAL300003360703	1	45	0.0	-80.44	375.14	8.12	-72.32
COCC1=CC(NC(=O)CCCC[NH+]2CCOCC2)=CC(C(=O)[O-])=C1	REAL300003360704	1	51	0.0	-87.36	402.44	6.81	-80.55
CC[N@H+](CC1=CC=C(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300003360707	0	56	0.0	-92.37	424.68	10.10	-82.27
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)C=C1)C(C)C	REAL300003360707	1	56	0.0	-94.80	422.72	10.07	-84.73
COCC1=CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300003360756	0	51	0.0	-81.23	407.58	9.58	-71.65
COCC1=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300003360756	1	51	0.0	-82.14	409.16	9.66	-72.48
COCC1=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=CC(C(=O)[O-])=C1	REAL300003360757	0	52	0.0	-92.45	402.88	8.77	-83.68
COCC1=CC(NC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)=CC(C(=O)[O-])=C1	REAL300003360784	1	56	0.0	-76.37	437.95	8.52	-67.85
COCC1=CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=CC(C(=O)[O-])=C1	REAL300003360785	0	55	0.0	-85.60	397.39	6.87	-78.73
CCC(C(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1)[NH+](CC)CC	REAL300003360789	0	49	0.0	-72.09	367.40	7.31	-64.78
COCC1=CC(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300003360791	1	50	0.0	-80.75	397.82	9.24	-71.51
COCC1=CC(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300003360791	1	50	0.0	-72.99	398.27	9.25	-63.74
COCC1=CC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300003360803	0	57	0.0	-85.69	448.07	11.26	-74.43
COCC1=CC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300003360803	1	57	0.0	-75.61	441.63	11.44	-64.17
COCC1=CC(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)=CC(C(=O)[O-])=C1	REAL300003360825	0	46	0.0	-90.28	378.13	6.85	-83.43
CCC[NH+](CCC)CCCC(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300003360834	0	55	0.0	-83.04	426.15	9.44	-73.60
COCC1=CC(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)=CC(C(=O)[O-])=C1	REAL300003360835	1	55	0.0	-79.98	432.31	7.15	-72.83
CC[N@H+](C)C(C(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300003360836	1	50	0.0	-66.77	396.69	9.36	-57.41
CC[N@@H+](C)C(C(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300003360836	1	50	0.0	-71.41	396.94	9.33	-62.08
COCC1=CC(NC(=O)C2C[N@H+](C)CCO2)=CC(C(=O)[O-])=C1	REAL300003360838	1	42	0.0	-87.29	334.74	5.41	-81.88
COCC1=CC(NC(=O)C2C[N@@H+](C)CCO2)=CC(C(=O)[O-])=C1	REAL300003360838	1	42	0.0	-93.04	342.12	5.57	-87.47
CC[NH+](CC)C(C(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300003360841	0	53	0.0	-80.41	402.89	9.44	-70.97
COCC1=CC(NC(=O)CN2C=C[NH+]=C2C(C)C)=CC(C(=O)[O-])=C1	REAL300003360850	1	45	0.0	-68.46	369.94	7.95	-60.51
COCC1=CC(NC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)=CC(C(=O)[O-])=C1	REAL300003360855	1	47	0.0	-80.62	395.60	9.23	-71.39
COCC1=CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=CC(C(=O)[O-])=C1	REAL300003360868	0	51	0.0	-94.05	407.44	9.84	-84.21
COCC1=CC(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=CC(C(=O)[O-])=C1	REAL300003360876	0	54	0.0	-84.39	424.17	10.54	-73.85
COCC1=CC(NC(=O)C2(C[NH+](C)C)CC2)=CC(C(=O)[O-])=C1	REAL300003360883	0	44	0.0	-92.07	349.26	6.93	-85.14
COCC1=CC(NC(=O)CCCC[NH+](C)C)=CC(C(=O)[O-])=C1	REAL300003360893	0	46	0.0	-86.01	369.54	7.35	-78.66
COCC1=CC(NC(=O)C(C(C)C)[NH+](C)C)=CC(C(=O)[O-])=C1	REAL300003360902	0	46	0.0	-79.63	353.08	7.23	-72.40
COCC1=CC(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=CC(C(=O)[O-])=C1	REAL300003360904	1	55	0.0	-95.83	431.71	9.64	-86.19
COCC1=CC(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=CC(C(=O)[O-])=C1	REAL300003360904	1	55	0.0	-90.69	438.79	9.67	-81.02
COCC1=CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300003360916	0	54	0.0	-78.74	413.14	10.18	-68.56
COCC1=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300003360916	1	54	0.0	-76.82	413.65	10.18	-66.64
COCC1=CC(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)=CC(C(=O)[O-])=C1	REAL300003360918	1	45	0.0	-89.46	378.37	7.08	-82.38
COCC1=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=CC(C(=O)[O-])=C1	REAL300003360926	0	54	0.0	-93.22	424.18	10.55	-82.67
COCC1=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=CC(C(=O)[O-])=C1	REAL300003360940	1	47	0.0	-85.27	387.87	7.32	-77.95
COCC1=CC(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300003360941	0	50	0.0	-96.59	405.12	9.54	-87.05
COCC1=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=CC(C(=O)[O-])=C1	REAL300003360955	1	52	0.0	-92.25	411.46	8.97	-83.28
COCC1=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=CC(C(=O)[O-])=C1	REAL300003360955	1	52	0.0	-98.28	418.62	9.13	-89.15
COCC1=CC(NC(=O)C[N@H+](C)C2CCC2)=CC(C(=O)[O-])=C1	REAL300003360986	0	44	0.0	-76.45	350.70	7.20	-69.25
COCC1=CC(NC(=O)C[N@@H+](C)C2CCC2)=CC(C(=O)[O-])=C1	REAL300003360986	1	44	0.0	-76.02	350.55	7.19	-68.83
COCC1=CC(NC(=O)C[N@H+](C)CC(C)(C)C)=CC(C(=O)[O-])=C1	REAL300003361018	0	49	0.0	-79.41	374.21	7.76	-71.65
COCC1=CC(NC(=O)C[N@@H+](C)CC(C)(C)C)=CC(C(=O)[O-])=C1	REAL300003361018	1	49	0.0	-77.49	373.15	7.62	-69.87
COCC1=CC(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300003361020	0	50	0.0	-81.39	403.60	9.64	-71.75
COCC1=CC(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300003361020	1	50	0.0	-81.24	403.60	9.64	-71.60
COCCOCC[N@H+](C)CCC(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300003361021	0	54	0.0	-82.68	432.36	5.82	-76.86
COCCOCC[N@@H+](C)CCC(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300003361021	1	54	0.0	-84.90	432.35	5.84	-79.06
COCC1=CC(NC(=O)CC2(O)CCC[N@H+](C)C2)=CC(C(=O)[O-])=C1	REAL300003361026	0	48	0.0	-81.46	362.17	5.40	-76.06
COCC1=CC(NC(=O)CC2(O)CCC[N@@H+](C)C2)=CC(C(=O)[O-])=C1	REAL300003361026	1	48	0.0	-80.83	371.91	5.57	-75.26
CCCCCC[N@H+](C)CC(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300003361050	0	52	0.0	-79.68	408.19	8.95	-70.73
CCCCCC[N@@H+](C)CC(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300003361050	1	52	0.0	-79.71	408.19	8.95	-70.76
COCC1=CC(NC(=O)C23CCC[NH+]2CCC3)=CC(C(=O)[O-])=C1	REAL300003361060	0	45	0.0	-84.18	348.69	7.14	-77.04
COCC1=CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=CC(C(=O)[O-])=C1	REAL300003361068	1	39	0.0	-91.08	334.61	8.73	-82.35
COCC1=CC(NC(=O)C[N@H+](C)C2CCSC2)=CC(C(=O)[O-])=C1	REAL300003361084	1	45	0.0	-82.76	365.21	7.42	-75.34
COCC1=CC(NC(=O)C[N@@H+](C)C2CCSC2)=CC(C(=O)[O-])=C1	REAL300003361084	1	45	0.0	-84.25	363.94	7.44	-76.81
COCC1=CC(NC(=O)CCN2CC[NH+](C(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300003361101	0	55	0.0	-82.37	419.81	6.38	-75.99
COCC1=CC(NC(=O)CC[NH+]2CCN(C(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300003361101	1	55	0.0	-82.99	415.84	6.19	-76.80
COCC1=CC(NC(=O)CCCN2CC[NH+](C(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300003361102	0	58	0.0	-80.90	441.02	7.19	-73.71
COCC1=CC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300003361102	1	58	0.0	-83.82	437.84	7.03	-76.79
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COCC1=CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)=CC(C(=O)[O-])=C1	REAL300003361167	1	44	0.0	-86.66	346.75	6.49	-80.17
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CC[C@@H]1[C@@H](C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)CC[N@H+]1C	REAL300003361172	1	47	0.0	-84.16	366.77	7.16	-77.00
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COCC1=CC(NC(=O)C(C)C[NH+]2CCOCC2)=CC(C(=O)[O-])=C1	REAL300003361196	0	48	0.0	-82.65	375.73	5.96	-76.69
COCC1=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)=CC(C(=O)[O-])=C1	REAL300003361197	0	55	0.0	-87.40	434.73	7.97	-79.43
COCC1=CC(NC(=O)C[NH+]2CCC(C)CC2)=CC(C(=O)[O-])=C1	REAL300003361212	0	47	0.0	-80.84	367.23	7.70	-73.14
CC[N@@H+]1CCOC(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)C1	REAL300003361226	1	45	0.0	-93.32	359.05	6.22	-87.10
CC[N@H+]1CCOC(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)C1	REAL300003361226	1	45	0.0	-87.34	352.19	6.05	-81.29
COCC1=CC(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)=CC(C(=O)[O-])=C1	REAL300003361265	1	54	0.0	-88.06	426.63	8.75	-79.31
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COCC1=CC(NC(=O)C2CC[NH+](C(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300003361315	0	50	0.0	-83.30	380.02	7.81	-75.49
COCC1=CC(NC(=O)C23CC[NH+](CC2)C3)=CC(C(=O)[O-])=C1	REAL300003361397	0	42	0.0	-85.18	335.80	5.73	-79.45
COCC1=CC(NC(=O)C23CC[N@H+](C2)CCC3)=CC(C(=O)[O-])=C1	REAL300003361407	0	45	0.0	-83.09	346.39	6.42	-76.67
COCC1=CC(NC(=O)C23CC[N@@H+](C2)CCC3)=CC(C(=O)[O-])=C1	REAL300003361407	1	45	0.0	-83.01	346.47	6.42	-76.59
COCC1=CC(NC(=O)C[NH+]2C(C)CCC2C)=CC(C(=O)[O-])=C1	REAL300003361456	0	47	0.0	-75.28	361.72	7.08	-68.20
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COCC1=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300003361458	1	54	0.0	-76.52	419.08	10.57	-65.95
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C#CC[NH+]1CCC(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)CC1	REAL300003361532	0	46	0.0	-88.07	373.49	8.01	-80.06
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300003361534	0	50	0.0	-76.01	385.04	8.23	-67.78
CCC[N@H+]1CCCCC1C(=O)NC1=CC(COC)=CC(C(=O)[O-])=C1	REAL300003361534	1	50	0.0	-77.67	375.95	8.02	-69.65
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COCC1=CC(NC(=O)C(C(C)C)[NH+]2CCCCC2)=CC(C(=O)[O-])=C1	REAL300003361539	0	53	0.0	-72.88	394.29	9.14	-63.74
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COCC1=CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=CC(C(=O)[O-])=C1	REAL300003361556	0	51	0.0	-76.55	387.45	8.74	-67.81
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COCC1=CC(NC(=O)CCCC[NH+]2CCCC2)=CC(C(=O)[O-])=C1	REAL300003361682	0	50	0.0	-84.21	395.50	8.53	-75.68
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COCC1=CC(NC(=O)C[N@H+](C)CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300003361685	1	47	0.0	-83.48	381.13	8.79	-74.69
COCC1=CC(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300003361685	1	47	0.0	-83.20	381.12	8.79	-74.41
COCC1=CC(NC(=O)[C@H](C(C)C)[NH+](C)C)=CC(C(=O)[O-])=C1	REAL300003361696	0	46	0.0	-79.11	352.88	7.26	-71.85
COCC1=CC(NC(=O)C2=NOC(C[NH+](C)C)=C2)=CC(C(=O)[O-])=C1	REAL300003361744	1	43	0.0	-87.73	363.30	6.25	-81.48
COCC1=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)=CC(C(=O)[O-])=C1	REAL300003361748	0	54	0.0	-78.80	426.05	10.17	-68.63
COCC1=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)=CC(C(=O)[O-])=C1	REAL300003361748	1	54	0.0	-92.28	428.89	10.18	-82.10
COCC1=CC(NC(=O)C2CCC[N@@H+]2C(C)C)=CC(C(=O)[O-])=C1	REAL300003361764	0	47	0.0	-75.24	363.06	7.32	-67.92
COCC1=CC(NC(=O)C2CCC[N@H+]2C(C)C)=CC(C(=O)[O-])=C1	REAL300003361764	1	47	0.0	-74.94	363.53	7.29	-67.65
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COCC1=CC(NC(=O)COC2CC[NH+](C)CC2)=CC(C(=O)[O-])=C1	REAL300003361791	0	48	0.0	-91.73	384.12	7.21	-84.52
COCC1=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=CC(C(=O)[O-])=C1	REAL300003361796	0	51	0.0	-90.42	409.28	8.80	-81.62
CCC[N@@H+]1CCCC(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)C1	REAL300003361994	0	50	0.0	-72.20	381.72	8.40	-63.80
CCC[N@H+]1CCCC(C(=O)NC2=CC(COC)=CC(C(=O)[O-])=C2)C1	REAL300003361994	1	50	0.0	-72.25	381.72	8.40	-63.85
COCC1=CC(NC(=O)C2CCC[N@@H+]2CC(C)C)=CC(C(=O)[O-])=C1	REAL300003362027	0	50	0.0	-76.18	389.15	8.39	-67.79
COCC1=CC(NC(=O)C2CCC[N@H+]2CC(C)C)=CC(C(=O)[O-])=C1	REAL300003362027	1	50	0.0	-79.01	383.41	7.86	-71.15
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COCC1=CC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=CC(C(=O)[O-])=C1	REAL300003362136	0	55	0.0	-88.32	433.13	10.66	-77.66
COCC1=CC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=CC(C(=O)[O-])=C1	REAL300003362136	1	55	0.0	-85.46	434.38	10.71	-74.75
COCC1=CC(NC(=O)C2CCC[N@@H+](C(C)C)C2)=CC(C(=O)[O-])=C1	REAL300003362270	0	50	0.0	-79.32	382.86	8.00	-71.32
COCC1=CC(NC(=O)C2CCC[N@H+](C(C)C)C2)=CC(C(=O)[O-])=C1	REAL300003362270	1	50	0.0	-72.61	377.01	8.22	-64.39
COCC1=CC(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)=CC(C(=O)[O-])=C1	REAL300003362271	0	44	0.0	-81.78	359.41	7.01	-74.77
COCC1=CC(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)=CC(C(=O)[O-])=C1	REAL300003362271	1	44	0.0	-89.26	368.11	6.95	-82.31
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CC[C@@H](C(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])[NH+](C)C	REAL300003364940	0	48	0.0	-58.47	369.17	9.96	-48.51
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300003364942	0	53	0.0	-71.34	405.68	9.43	-61.91
C[N@H+]1CCCC(O)(CC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300003364942	1	53	0.0	-61.07	408.81	9.30	-51.77
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C[N@H+](CC(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C1CCSC1	REAL300003364976	0	50	0.0	-63.55	397.71	11.18	-52.37
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CC(C)[NH+]1CCN(CCC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300003364990	0	60	0.0	-73.63	453.56	10.12	-63.51
CC(C)N1CC[NH+](CCC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300003364990	1	60	0.0	-69.22	450.29	9.92	-59.30
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C[NH+](C)CCN1C=CC(C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=N1	REAL300003365020	0	52	0.0	-90.38	422.83	10.38	-80.00
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CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC[N@H+]1C	REAL300003365027	1	52	0.0	-70.88	398.43	11.15	-59.73
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CC[N@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1)C1CC1	REAL300003367342	0	43	0.0	-50.50	360.75	9.46	-41.04
CC[N@@H+](CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1)C1CC1	REAL300003367342	1	43	0.0	-65.97	353.16	8.90	-57.07
CC(C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1)[NH+]1CCCCCC1	REAL300003367352	0	49	0.0	-53.19	380.17	10.38	-42.81
C[N@@H+]1CCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003367354	0	40	0.0	-60.18	334.19	7.98	-52.20
C[N@H+]1CCC[C@H]1C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003367354	1	40	0.0	-53.21	335.45	8.24	-44.97
CC(C)(C)[NH2+]CC(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003367385	0	42	0.0	-67.15	347.38	6.64	-60.51
O=C([O-])CC(NC(=O)CCCC[NH+]1CCCC1)C1=CC=CC(Br)=C1	REAL300003367386	0	49	0.0	-75.06	399.75	10.24	-64.82
C[NH+](C)CC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)=NO1	REAL300003367407	1	42	0.0	-72.90	373.44	8.72	-64.18
CC(C)[N@@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003367414	0	46	0.0	-66.37	360.78	9.11	-57.26
CC(C)[N@H+]1CCCC1C(=O)NC(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003367414	1	46	0.0	-60.45	358.20	10.54	-49.91
C[NH+]1CCC(OCC(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300003367423	0	47	0.0	-81.23	388.32	9.03	-72.20
CCC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003367481	0	49	0.0	-55.20	398.88	10.76	-44.44
CCC[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003367481	1	49	0.0	-71.05	392.52	9.99	-61.06
O=C([O-])CC(NC(=O)C[NH+]1CCC(CO)CC1)C1=CC=CC(Br)=C1	REAL300003367492	1	47	0.0	-69.95	382.39	6.13	-63.82
CC(C)[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003367556	0	49	0.0	-57.00	394.03	10.53	-46.47
CC(C)[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003367556	1	49	0.0	-63.86	387.66	9.74	-54.12
CC1=C(C)[NH+]=C(CCC(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)N1	REAL300003367567	1	44	0.0	-67.04	378.60	8.22	-58.82
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003367772	0	43	0.0	-57.99	364.98	9.34	-48.65
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300003367776	0	49	0.0	-65.66	387.44	10.44	-55.22
CC[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003367798	0	46	0.0	-64.60	370.48	9.22	-55.38
CC[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003367798	1	46	0.0	-70.69	370.94	9.21	-61.48
C[N@@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003367802	0	43	0.0	-57.71	346.95	8.77	-48.94
C[N@H+]1CCCC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003367802	1	43	0.0	-72.52	352.89	8.58	-63.94
C[NH+](C)CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300003367804	1	43	0.0	-81.76	371.87	8.65	-73.11
O=C([O-])CC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=CC(Br)=C1	REAL300003367807	0	45	0.0	-52.36	373.94	10.30	-42.06
O=C([O-])CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=CC(Br)=C1	REAL300003367807	1	45	0.0	-64.26	372.57	9.62	-54.64
CC1=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003368981	0	44	0.0	-72.48	351.28	9.65	-62.83
CC1=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003368999	1	41	0.0	-65.68	339.18	9.32	-56.36
CC1=C(NC(=O)C2CCC[N@H+]2C2CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003368999	1	41	0.0	-65.12	334.64	9.13	-55.99
CC1=[NH+]C=C2CCC(C(=O)NC3=C(C)C(C(=O)[O-])=CC(Br)=C3)CN12	REAL300003369003	1	42	0.0	-64.50	350.81	9.58	-54.92
CC1=C(NC(=O)C[NH+](C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369046	1	33	0.0	-72.25	283.35	6.87	-65.38
CC1=C(NC(=O)C2CCCC[N@H+]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369047	1	40	0.0	-70.12	315.36	8.25	-61.87
CC1=C(NC(=O)C2CCCC[N@@H+]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369047	1	40	0.0	-69.69	315.42	8.23	-61.46
CC1=C(NC(=O)C(C)N2CC[NH+](C)CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369048	1	45	0.0	-70.75	354.11	6.68	-64.07
CC1=C(NC(=O)[C@@H]2CCCC[N@H+]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369077	1	40	0.0	-67.71	327.37	8.53	-59.18
CC1=C(NC(=O)[C@@H]2CCCC[N@@H+]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369077	1	40	0.0	-71.27	318.29	8.28	-62.99
CC1=C(NC(=O)C2CC[NH+](C)CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369117	0	40	0.0	-75.31	326.43	8.45	-66.86
CC1=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C(Br)C=C1C(=O)[O-]	REAL300003369143	0	35	0.0	-70.99	313.53	10.37	-60.62
CC1=C(NC(=O)C2(C[NH+](C)C)CCCCC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369162	0	49	0.0	-73.19	365.19	10.34	-62.85
CC1=C(NC(=O)CC[N@@H+](C)C2CCCCC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369166	0	49	0.0	-73.62	381.76	10.46	-63.16
CC1=C(NC(=O)CC[N@H+](C)C2CCCCC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369166	1	49	0.0	-75.65	384.22	10.51	-65.14
CC1=C(NC(=O)C2CCC[N@H+]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369175	1	37	0.0	-70.12	302.46	7.38	-62.74
CC1=C(NC(=O)C2CCC[N@@H+]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369175	1	37	0.0	-69.68	311.77	7.89	-61.79
CC1=C(NC(=O)C2CC[NH+](C)CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369214	0	40	0.0	-75.31	326.43	8.45	-66.86
CC1=[NH+]C=CN1CCCC(=O)NC1=C(C)C(C(=O)[O-])=CC(Br)=C1	REAL300003369245	1	41	0.0	-68.26	354.32	9.77	-58.49
CC1=C(NC(=O)CCCC[NH+]2CCOCC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369246	1	47	0.0	-75.13	381.62	8.45	-66.68
CC1=C(NC(=O)[C@H](C)[NH+](C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369252	0	36	0.0	-68.98	300.18	7.32	-61.66
CC1=C(NC(=O)[C@H]2CCC[N@H+]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369253	1	37	0.0	-72.08	305.96	7.45	-64.63
CC1=C(NC(=O)[C@H]2CCC[N@@H+]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369253	1	37	0.0	-67.60	308.57	7.89	-59.71
CC1=C(NC(=O)[C@@H](C)[NH+](C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369257	0	36	0.0	-68.40	300.63	7.33	-61.07
CC1=C(NC(=O)C2([NH+](C)C)CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369265	1	37	0.0	-73.35	307.68	7.88	-65.47
CCC(C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1C)[NH+](CC)CC	REAL300003369320	0	45	0.0	-63.72	348.25	9.30	-54.42
CC1=C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C=C(Br)C=C1C(=O)[O-]	REAL300003369337	0	42	0.0	-74.61	357.28	8.89	-65.72
CCC[NH+](CCC)CCCC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300003369340	0	51	0.0	-72.06	405.15	11.04	-61.02
CC1=C(NC(=O)C2C[N@H+](C)CCO2)C=C(Br)C=C1C(=O)[O-]	REAL300003369341	1	38	0.0	-77.66	320.23	7.17	-70.49
CC1=C(NC(=O)C2C[N@@H+](C)CCO2)C=C(Br)C=C1C(=O)[O-]	REAL300003369341	1	38	0.0	-71.80	317.66	7.15	-64.65
CC1=C(NC(=O)CN2C=C[NH+]=C2C(C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369350	1	41	0.0	-66.29	347.24	9.53	-56.76
CC1=C(NC(=O)C2(C[NH+](C)C)CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369359	0	40	0.0	-72.41	327.00	8.51	-63.90
CC1=C(NC(=O)CCCC[NH+](C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369364	0	42	0.0	-73.19	348.71	9.00	-64.19
CC1=C(NC(=O)C(C(C)C)[NH+](C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369374	0	42	0.0	-67.97	329.31	8.50	-59.47
CCC[N@H+](C)CC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300003369396	0	39	0.0	-71.56	322.58	8.28	-63.28
CCC[N@@H+](C)CC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300003369396	1	39	0.0	-71.69	322.58	8.28	-63.41
CC1=C(NC(=O)C[N@@H+](C)C2CCC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369413	0	40	0.0	-71.12	332.05	8.90	-62.22
CC1=C(NC(=O)C[N@H+](C)C2CCC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369413	1	40	0.0	-69.98	327.70	8.77	-61.21
CC1=C(NC(=O)C[N@@H+](C)CC(C)(C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369426	0	45	0.0	-71.99	349.27	9.22	-62.77
CC1=C(NC(=O)C[N@H+](C)CC(C)(C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369426	1	45	0.0	-71.36	352.31	9.39	-61.97
CC[C@@H](C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1C)[NH+](C)C	REAL300003369429	0	39	0.0	-69.73	316.03	7.95	-61.78
CC1=C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C=C(Br)C=C1C(=O)[O-]	REAL300003369431	0	44	0.0	-68.27	347.72	6.98	-61.29
CC1=C(NC(=O)CC2(O)CCC[N@H+](C)C2)C=C(Br)C=C1C(=O)[O-]	REAL300003369431	1	44	0.0	-73.59	344.65	7.12	-66.47
CCCCCC[N@H+](C)CC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300003369451	0	48	0.0	-72.83	387.12	10.64	-62.19
CCCCCC[N@@H+](C)CC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300003369451	1	48	0.0	-72.88	387.08	10.62	-62.26
CC1=C(NC(=O)C23CCC[NH+]2CCC3)C=C(Br)C=C1C(=O)[O-]	REAL300003369457	0	41	0.0	-69.03	332.05	8.88	-60.15
CC1=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C(Br)C=C1C(=O)[O-]	REAL300003369464	1	35	0.0	-75.17	313.80	10.37	-64.80
CC1=C(NC(=O)C[N@@H+](C)C2CCSC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369470	1	41	0.0	-77.71	341.07	9.03	-68.68
CC1=C(NC(=O)C[N@H+](C)C2CCSC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369470	1	41	0.0	-76.85	340.85	9.05	-67.80
CC1=C(NC(=O)C2CCCC3CCC[N@@H+]32)C=C(Br)C=C1C(=O)[O-]	REAL300003369485	0	44	0.0	-67.81	339.47	9.38	-58.43
CC1=C(NC(=O)C2CCCC3CCC[N@H+]32)C=C(Br)C=C1C(=O)[O-]	REAL300003369485	1	44	0.0	-63.47	347.16	9.65	-53.82
CC1=C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C=C(Br)C=C1C(=O)[O-]	REAL300003369486	0	43	0.0	-77.56	367.67	8.36	-69.20
CCCC(C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1C)[NH+](C)C	REAL300003369505	0	42	0.0	-69.19	337.62	8.80	-60.39
CC1=C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C=C(Br)C=C1C(=O)[O-]	REAL300003369514	0	43	0.0	-79.01	368.04	8.38	-70.63
CC1=C(NC(=O)C2=CC=NN2CC[NH+](C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369515	0	43	0.0	-65.31	362.01	8.28	-57.03
CC1=C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369517	0	40	0.0	-75.65	324.04	7.97	-67.68
CC1=C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369517	1	40	0.0	-73.26	325.73	8.13	-65.13
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300003369519	1	44	0.0	-65.74	369.31	10.08	-55.66
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2C)CC[N@@H+]1C	REAL300003369521	0	43	0.0	-74.59	343.70	8.62	-65.97
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2C)CC[N@H+]1C	REAL300003369521	1	43	0.0	-71.46	347.71	9.06	-62.40
CC1=C(NC(=O)C2C[N@@H+](C)CC(C)O2)C=C(Br)C=C1C(=O)[O-]	REAL300003369526	1	41	0.0	-80.35	337.81	7.55	-72.80
CC1=C(NC(=O)C2C[N@H+](C)CC(C)O2)C=C(Br)C=C1C(=O)[O-]	REAL300003369526	1	41	0.0	-78.29	338.34	7.96	-70.33
CC1=C(NC(=O)C[NH+]2CCCC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369532	1	37	0.0	-72.65	309.77	7.94	-64.71
CC1=[NH+]C=CN1CC(=O)NC1=C(C)C(C(=O)[O-])=CC(Br)=C1	REAL300003369534	1	35	0.0	-67.55	311.01	8.41	-59.14
CC1=C(NC(=O)C(C)C[NH+]2CCOCC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369536	1	44	0.0	-72.84	354.47	7.59	-65.25
CC1=C(NC(=O)C[NH+]2CCC(C)CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369555	1	43	0.0	-71.88	346.08	9.36	-62.52
CC[N@@H+]1CCOC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2C)C1	REAL300003369563	1	41	0.0	-67.77	331.49	7.69	-60.08
CC[N@H+]1CCOC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2C)C1	REAL300003369563	1	41	0.0	-73.33	335.16	7.73	-65.60
CC1=C(NC(=O)CCC2CCC[N@H+]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369587	0	43	0.0	-72.87	350.62	9.37	-63.50
CC1=C(NC(=O)CCC2CCC[N@@H+]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369587	1	43	0.0	-72.98	347.91	8.92	-64.06
CC1=C(NC(=O)C23CCC[NH+](CCC2)C3)C=C(Br)C=C1C(=O)[O-]	REAL300003369595	0	44	0.0	-72.05	339.48	9.00	-63.05
CC1=C(NC(=O)C2(C)CC(O)C[N@H+]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369597	1	41	0.0	-73.81	334.78	5.08	-68.73
CC1=C(NC(=O)C2(C)CC(O)C[N@@H+]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369597	1	41	0.0	-73.37	331.91	5.02	-68.35
CC1=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=C(Br)C=C1C(=O)[O-]	REAL300003369598	0	44	0.0	-67.01	353.84	9.79	-57.22
CC1=C(NC(=O)C2CCC3CCCC[N@H+]32)C=C(Br)C=C1C(=O)[O-]	REAL300003369598	1	44	0.0	-64.53	350.09	9.71	-54.82
CC1=C(NC(=O)C(C)(C)C[NH+]2CCOCC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369602	0	47	0.0	-67.84	364.38	7.97	-59.87
CC[NH+](CC)CC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300003369611	0	39	0.0	-69.59	314.82	7.95	-61.64
CC1=C(NC(=O)C2CC[NH+](C(C)C)CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369613	0	46	0.0	-72.62	360.75	9.63	-62.99
CC1=C(NC(=O)C23CC[NH+](CC2)C3)C=C(Br)C=C1C(=O)[O-]	REAL300003369666	0	38	0.0	-73.01	315.31	7.38	-65.63
CCC(C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1C)[NH+](C)C	REAL300003369669	0	39	0.0	-68.58	316.12	8.03	-60.55
CC1=C(NC(=O)C23CC[N@H+](C2)CCC3)C=C(Br)C=C1C(=O)[O-]	REAL300003369676	0	41	0.0	-72.89	327.88	8.10	-64.79
CC1=C(NC(=O)C23CC[N@@H+](C2)CCC3)C=C(Br)C=C1C(=O)[O-]	REAL300003369676	1	41	0.0	-77.15	326.52	8.21	-68.94
CC1=C(NC(=O)C[NH+]2C(C)CCC2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369705	0	43	0.0	-67.23	339.30	8.75	-58.48
CC1=C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C=C(Br)C=C1C(=O)[O-]	REAL300003369706	0	43	0.0	-73.09	361.52	10.36	-62.73
CC1=C(NC(=O)C2([NH+](C)C)CCC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369731	0	40	0.0	-72.80	319.79	8.95	-63.85
C#CC[NH+]1CCC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2C)CC1	REAL300003369748	0	42	0.0	-77.14	355.86	9.77	-67.37
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300003369749	0	46	0.0	-67.29	368.11	9.93	-57.36
CCC[N@H+]1CCCCC1C(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1C	REAL300003369749	1	46	0.0	-68.47	368.04	9.91	-58.56
CC1=C(NC(=O)C2=CC=CC=C2C[NH+](C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369750	0	43	0.0	-64.29	356.75	10.60	-53.69
CC[NH+]1CCN(CCC(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2C)CC1	REAL300003369751	0	48	0.0	-71.14	381.46	7.49	-63.65
CCN1CC[NH+](CCC(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2C)CC1	REAL300003369751	1	48	0.0	-73.57	381.96	7.52	-66.05
CC1=C(NC(=O)C[N@@H+](C)C(C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369752	0	39	0.0	-69.63	316.00	7.99	-61.64
CC1=C(NC(=O)C[N@H+](C)C(C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369752	1	39	0.0	-69.37	316.00	7.99	-61.38
CC1=C(NC(=O)C(C(C)C)[NH+]2CCCCC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369753	0	49	0.0	-65.56	374.02	10.74	-54.82
CC1=C(NC(=O)C(C2=CC=CC=C2)[NH+](C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369754	1	43	0.0	-66.14	358.08	10.35	-55.79
CC1=C(NC(=O)CCN2C=C[NH+]=C2C(C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369759	1	44	0.0	-65.20	368.76	10.02	-55.18
CC1=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369764	0	47	0.0	-69.15	359.87	9.97	-59.18
CC1=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369764	1	47	0.0	-67.17	368.26	10.25	-56.92
CC[N@H+](CC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1C)C1CC1	REAL300003369766	0	40	0.0	-68.10	330.99	8.83	-59.27
CC[N@@H+](CC(=O)NC1=CC(Br)=CC(C(=O)[O-])=C1C)C1CC1	REAL300003369766	1	40	0.0	-67.29	327.12	8.62	-58.67
CC1=C(NC(=O)C(C)[NH+]2CCCCCC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369779	0	46	0.0	-66.41	351.69	9.33	-57.08
CC1=C(NC(=O)[C@@H]2CCC[N@H+]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369782	1	37	0.0	-69.33	313.08	7.96	-61.37
CC1=C(NC(=O)[C@@H]2CCC[N@@H+]2C)C=C(Br)C=C1C(=O)[O-]	REAL300003369782	1	37	0.0	-70.26	306.85	7.48	-62.78
CC1=C(NC(=O)C[NH2+]C(C)(C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369825	0	39	0.0	-70.04	322.30	6.60	-63.44
CC1=C(NC(=O)CCCC[NH+]2CCCC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369826	0	46	0.0	-71.76	374.68	10.18	-61.58
CC1=C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C=C(Br)C=C1C(=O)[O-]	REAL300003369828	1	43	0.0	-76.81	358.24	10.39	-66.42
CC1=C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C=C(Br)C=C1C(=O)[O-]	REAL300003369828	1	43	0.0	-76.69	358.70	10.41	-66.28
CC1=C(NC(=O)[C@H](C(C)C)[NH+](C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369835	0	42	0.0	-70.16	329.01	8.97	-61.19
CC1=C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C=C(Br)C=C1C(=O)[O-]	REAL300003369858	1	39	0.0	-77.13	342.47	7.90	-69.23
CC1=C(NC(=O)C2CCC[N@H+]2C(C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369867	0	43	0.0	-69.16	338.94	8.97	-60.19
CC1=C(NC(=O)C2CCC[N@@H+]2C(C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369867	1	43	0.0	-67.10	345.10	8.92	-58.18
CC1=C(NC(=O)COC2CC[NH+](C)CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369881	0	44	0.0	-75.80	363.30	8.86	-66.94
CCC[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2C)C1	REAL300003369982	0	46	0.0	-72.88	370.25	9.91	-62.97
CCC[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2C)C1	REAL300003369982	1	46	0.0	-72.78	370.79	9.91	-62.87
CC1=C(NC(=O)C2CCC[N@H+]2CC(C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369998	0	46	0.0	-70.95	361.71	9.94	-61.01
CC1=C(NC(=O)C2CCC[N@@H+]2CC(C)C)C=C(Br)C=C1C(=O)[O-]	REAL300003369998	1	46	0.0	-67.03	368.05	10.08	-56.95
CC1=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003369999	1	44	0.0	-75.07	361.40	6.14	-68.93
CC1=C(NC(=O)C2CCC[N@@H+](C(C)C)C2)C=C(Br)C=C1C(=O)[O-]	REAL300003370134	0	46	0.0	-70.94	365.41	9.68	-61.26
CC1=C(NC(=O)C2CCC[N@H+](C(C)C)C2)C=C(Br)C=C1C(=O)[O-]	REAL300003370134	1	46	0.0	-70.92	365.92	9.68	-61.24
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2C)N1	REAL300003370150	1	41	0.0	-66.36	353.59	8.15	-58.21
CC1=C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C=C(Br)C=C1C(=O)[O-]	REAL300003370503	0	40	0.0	-71.06	331.51	8.50	-62.56
CC1=C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003370507	0	46	0.0	-68.54	356.33	9.56	-58.98
CC1=C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)C=C(Br)C=C1C(=O)[O-]	REAL300003370546	0	49	0.0	-66.18	377.85	10.77	-55.41
CC1=C(NC(=O)C2CCC[N@H+](CC(C)C)C2)C=C(Br)C=C1C(=O)[O-]	REAL300003370546	1	49	0.0	-66.18	377.85	10.77	-55.41
CC[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2C)C1	REAL300003370547	0	43	0.0	-66.70	343.94	9.42	-57.28
CC[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C(=O)[O-])=C2C)C1	REAL300003370547	1	43	0.0	-66.70	343.94	9.42	-57.28
CC1=C(NC(=O)C2CCC[N@@H+](C)C2)C=C(Br)C=C1C(=O)[O-]	REAL300003370552	0	40	0.0	-73.57	332.08	8.56	-65.01
CC1=C(NC(=O)C2CCC[N@H+](C)C2)C=C(Br)C=C1C(=O)[O-]	REAL300003370552	1	40	0.0	-73.57	332.08	8.56	-65.01
CC1=C(NC(=O)C2=CC=C(CN(C)C)O2)C=C(Br)C=C1C(=O)[O-]	REAL300003370554	0	40	0.0	-74.56	347.88	8.68	-65.88
CC1=C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C=C(Br)C=C1C(=O)[O-]	REAL300003370554	1	40	0.0	-74.56	347.88	8.68	-65.88
CC1=C(NC(=O)C(C)(C)C2CCC[N@@H+](C)C2)C=C(Br)C=C1C(=O)[O-]	REAL300003370559	0	49	0.0	-75.37	375.86	10.03	-65.34
CC1=C(NC(=O)C(C)(C)C2CCC[N@H+](C)C2)C=C(Br)C=C1C(=O)[O-]	REAL300003370559	1	49	0.0	-75.37	375.86	10.03	-65.34
CC1=C(NC(=O)C23CC(C2)CN3C2CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003370562	0	42	0.0	-66.06	339.33	9.46	-56.60
CC1=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003370562	1	42	0.0	-70.13	343.85	9.89	-60.24
CC1=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C(Br)C=C1C(=O)[O-]	REAL300003370562	1	42	0.0	-70.13	343.85	9.89	-60.24
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300003371277	0	55	0.0	-79.44	427.94	11.75	-67.69
C[NH+](C)CC(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371323	1	44	0.0	-72.57	358.75	8.90	-63.67
CC(C(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300003371324	1	56	0.0	-75.07	430.39	8.80	-66.27
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371340	1	51	0.0	-69.07	400.75	10.50	-58.57
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371340	1	51	0.0	-69.89	390.60	10.30	-59.59
C[NH+]1CCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)CC1	REAL300003371356	0	51	0.0	-83.02	404.41	10.53	-72.49
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)=C1	REAL300003371372	0	46	0.0	-77.86	389.75	12.39	-65.47
C[N@@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371395	1	48	0.0	-68.71	384.83	9.93	-58.78
C[N@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371395	1	48	0.0	-70.16	378.22	9.46	-60.70
C[NH+]1CCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)CC1	REAL300003371420	0	51	0.0	-83.02	404.41	10.53	-72.49
CC1=[NH+]C=CN1CCCC(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371438	1	52	0.0	-74.98	430.55	11.80	-63.18
C[C@@H](C(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1)[NH+](C)C	REAL300003371441	0	47	0.0	-70.53	376.98	9.30	-61.23
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371442	1	48	0.0	-73.65	379.16	9.43	-64.22
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371442	1	48	0.0	-69.15	385.93	9.94	-59.21
C[C@H](C(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1)[NH+](C)C	REAL300003371445	0	47	0.0	-70.60	376.78	9.36	-61.24
CCC(C(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1)[NH+](CC)CC	REAL300003371489	0	56	0.0	-64.85	424.42	11.19	-53.66
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371503	1	52	0.0	-68.38	425.23	11.62	-56.76
C[NH+](C)CC1(C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)CC1	REAL300003371509	0	51	0.0	-77.12	410.06	10.65	-66.47
C[NH+](C)CCCCC(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371512	0	53	0.0	-80.67	424.11	11.03	-69.64
CCC[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371532	0	50	0.0	-72.09	398.81	10.30	-61.79
CCC[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371532	1	50	0.0	-71.81	397.97	10.32	-61.49
C[N@H+](CC(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1)C1CCC1	REAL300003371541	0	51	0.0	-69.44	405.68	10.88	-58.56
C[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1)C1CCC1	REAL300003371541	1	51	0.0	-69.27	405.00	10.90	-58.37
C[N@H+](CC(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1)CC(C)(C)C	REAL300003371551	0	56	0.0	-71.98	425.41	11.30	-60.68
C[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1)CC(C)(C)C	REAL300003371551	1	56	0.0	-72.07	429.12	11.44	-60.63
CC[C@@H](C(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1)[NH+](C)C	REAL300003371552	0	50	0.0	-69.15	389.26	9.90	-59.25
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)C1	REAL300003371554	0	55	0.0	-70.64	419.90	8.93	-61.71
C[N@H+]1CCCC(O)(CC(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)C1	REAL300003371554	1	55	0.0	-67.74	429.78	9.15	-58.59
CCCCCC[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371564	0	59	0.0	-73.31	463.31	12.65	-60.66
CCCCCC[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371564	1	59	0.0	-72.93	462.48	12.67	-60.26
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=C1	REAL300003371572	1	46	0.0	-84.90	389.20	12.39	-72.51
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)C2CCCC3CCC[N@@H+]32)=C1	REAL300003371585	0	55	0.0	-70.17	414.68	11.43	-58.74
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)C2CCCC3CCC[N@H+]32)=C1	REAL300003371585	1	55	0.0	-64.62	423.62	11.73	-52.89
C[C@@H]1[C@H](C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)CC[N@@H+]1C	REAL300003371599	0	51	0.0	-78.70	397.18	9.98	-68.72
C[C@@H]1[C@H](C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)CC[N@H+]1C	REAL300003371599	1	51	0.0	-77.64	400.81	10.17	-67.47
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)CC[N@@H+]1C	REAL300003371601	0	54	0.0	-78.96	415.03	10.59	-68.37
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)CC[N@H+]1C	REAL300003371601	1	54	0.0	-75.25	420.57	11.09	-64.16
CC1C[N@H+](C)CC(C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)O1	REAL300003371605	1	52	0.0	-85.78	410.90	9.95	-75.83
CC1C[N@@H+](C)CC(C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)O1	REAL300003371605	1	52	0.0	-88.59	410.63	9.55	-79.04
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)C[NH+]2CCCC2)=C1	REAL300003371608	1	48	0.0	-71.66	385.06	10.03	-61.63
CC1=[NH+]C=CN1CC(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371610	1	46	0.0	-69.41	389.02	10.51	-58.90
CC(C[NH+]1CCOCC1)C(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371611	1	55	0.0	-76.25	429.84	9.61	-66.64
CC1CC[NH+](CC(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)CC1	REAL300003371628	1	54	0.0	-73.17	421.87	11.37	-61.80
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CC(C)[N@@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371818	0	54	0.0	-71.84	411.75	10.89	-60.95
CC(C)[N@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300003371818	1	54	0.0	-67.58	421.06	11.07	-56.51
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CCC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)C1	REAL300003371887	0	57	0.0	-66.71	436.00	12.09	-54.62
CCC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)C1	REAL300003371887	1	57	0.0	-74.67	443.57	11.90	-62.77
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)C1	REAL300003371964	0	57	0.0	-66.66	431.17	11.87	-54.79
CC(C)[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)C1	REAL300003371964	1	57	0.0	-73.41	438.68	11.67	-61.74
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)N1	REAL300003371975	1	52	0.0	-70.71	428.99	10.18	-60.53
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CC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)C1	REAL300003372210	0	54	0.0	-66.32	414.52	11.35	-54.97
CC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)C1	REAL300003372210	1	54	0.0	-66.37	414.52	11.35	-55.02
C[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)C1	REAL300003372214	0	51	0.0	-66.33	396.86	10.70	-55.63
C[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)C1	REAL300003372214	1	51	0.0	-75.70	403.10	10.51	-65.19
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2OCC2=CC=CC=C2)O1	REAL300003372216	1	51	0.0	-87.86	423.06	10.60	-77.26
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CS(=O)(=O)C1=CC(NC(=O)C2CCC[N@H+]2C2CC2)=CC(C(=O)[O-])=C1	REAL300003373881	1	44	0.0	-76.57	360.62	4.90	-71.67
CC1=[NH+]C=C2CCC(C(=O)NC3=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C3)CN21	REAL300003373887	1	45	0.0	-80.08	377.60	5.76	-74.32
C[NH+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003373950	1	36	0.0	-84.16	310.04	3.01	-81.15
C[N@@H+]1CCCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003373951	1	43	0.0	-80.60	351.73	4.63	-75.97
C[N@H+]1CCCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003373951	1	43	0.0	-80.89	351.97	4.60	-76.29
CC(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)N1CC[NH+](C)CC1	REAL300003373952	1	48	0.0	-84.63	383.00	2.85	-81.78
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003373986	1	43	0.0	-81.11	351.66	4.61	-76.50
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003373986	1	43	0.0	-80.74	342.46	4.42	-76.32
C[NH+]1CCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300003374043	0	43	0.0	-93.09	354.38	4.66	-88.43
C[N@H+](CCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CCCCC1	REAL300003374104	0	52	0.0	-88.36	408.19	6.62	-81.74
C[N@@H+](CCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CCCCC1	REAL300003374104	1	52	0.0	-87.94	408.18	6.63	-81.31
C[N@@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374117	1	40	0.0	-79.61	335.48	3.96	-75.65
C[N@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374117	1	40	0.0	-80.46	336.12	4.07	-76.39
CS(=O)(=O)C1=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=CC(C(=O)[O-])=C1	REAL300003374177	0	53	0.0	-78.46	406.59	6.76	-71.70
CS(=O)(=O)C1=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=CC(C(=O)[O-])=C1	REAL300003374177	1	53	0.0	-80.26	402.71	6.94	-73.32
CC1=[NH+]C=CN1CCCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374207	1	44	0.0	-83.68	381.02	5.92	-77.76
CS(=O)(=O)C1=CC(NC(=O)CCCC[NH+]2CCOCC2)=CC(C(=O)[O-])=C1	REAL300003374208	1	50	0.0	-91.29	408.03	4.61	-86.68
C[C@@H](C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+](C)C	REAL300003374214	1	39	0.0	-83.17	328.01	3.45	-79.72
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374215	1	40	0.0	-84.84	330.08	3.55	-81.29
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374215	1	40	0.0	-79.98	335.35	4.06	-75.92
C[C@H](C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+](C)C	REAL300003374219	1	39	0.0	-82.95	327.86	3.42	-79.53
C[NH+](C)C1(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300003374227	1	40	0.0	-86.48	339.11	4.22	-82.26
CCC(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+](CC)CC	REAL300003374286	0	48	0.0	-75.98	374.30	5.42	-70.56
CC(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300003374288	1	49	0.0	-86.25	404.55	7.01	-79.24
CC(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003374288	1	49	0.0	-85.84	404.38	7.04	-78.80
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=N1	REAL300003374307	0	45	0.0	-93.21	383.69	5.04	-88.17
CCC[NH+](CCC)CCCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374311	0	54	0.0	-87.29	427.96	6.95	-80.34
CC[N@H+](C)C(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1=CC=CC=C1	REAL300003374312	1	49	0.0	-80.33	402.25	7.16	-73.17
CC[N@@H+](C)C(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1=CC=CC=C1	REAL300003374312	1	49	0.0	-81.39	402.96	7.10	-74.29
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374324	1	44	0.0	-79.14	375.68	5.75	-73.39
C[NH+](C)CC1(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300003374337	0	43	0.0	-82.86	360.93	4.84	-78.02
C[NH+](C)CCCCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374343	0	45	0.0	-89.70	375.13	5.17	-84.53
CC(C)C(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+](C)C	REAL300003374351	0	45	0.0	-81.99	353.72	4.55	-77.44
CS(=O)(=O)C1=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=CC(C(=O)[O-])=C1	REAL300003374365	1	46	0.0	-90.10	394.24	5.20	-84.90
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=C1	REAL300003374366	0	49	0.0	-101.20	410.68	7.34	-93.86
CCC[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374380	0	42	0.0	-83.74	349.26	4.43	-79.31
CCC[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374380	1	42	0.0	-84.04	348.98	4.44	-79.60
C[N@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CCC1	REAL300003374401	0	43	0.0	-81.01	356.13	4.99	-76.02
C[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CCC1	REAL300003374401	1	43	0.0	-81.79	355.99	5.02	-76.77
C[N@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)CC(C)(C)C	REAL300003374420	0	48	0.0	-83.19	378.72	5.43	-77.76
C[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)CC(C)(C)C	REAL300003374420	1	48	0.0	-83.89	380.15	5.59	-78.30
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374422	1	49	0.0	-86.97	408.89	7.46	-79.51
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374422	1	49	0.0	-87.03	408.91	7.46	-79.57
CC[C@@H](C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+](C)C	REAL300003374425	0	42	0.0	-78.28	340.59	4.04	-74.24
CCCCCC[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374445	0	51	0.0	-84.86	413.75	6.77	-78.09
CCCCCC[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374445	1	51	0.0	-85.21	413.48	6.78	-78.43
CS(=O)(=O)C1=CC(NC(=O)C23CCC[NH+]2CCC3)=CC(C(=O)[O-])=C1	REAL300003374456	0	44	0.0	-86.34	354.29	4.95	-81.39
CS(=O)(=O)C1=CC(NC(=O)C2=CC3=C[NH+]=CN3C=C2)=CC(C(=O)[O-])=C1	REAL300003374464	1	38	0.0	-93.55	340.20	6.54	-87.01
C[N@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CCSC1	REAL300003374473	1	44	0.0	-89.10	369.53	5.24	-83.86
C[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CCSC1	REAL300003374473	1	44	0.0	-87.92	369.04	5.28	-82.64
CC(C)[NH+]1CCN(CCC(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300003374486	0	54	0.0	-88.27	425.38	4.19	-84.08
CS(=O)(=O)C1=CC(NC(=O)C2CCCC3CCC[N@@H+]32)=CC(C(=O)[O-])=C1	REAL300003374487	0	47	0.0	-82.17	366.29	5.57	-76.60
CS(=O)(=O)C1=CC(NC(=O)C2CCCC3CCC[N@H+]32)=CC(C(=O)[O-])=C1	REAL300003374487	1	47	0.0	-79.82	366.11	5.56	-74.26
C[NH+](C)CCN1C=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C=N1	REAL300003374488	0	46	0.0	-93.73	394.08	4.53	-89.20
CCCC(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+](C)C	REAL300003374511	0	45	0.0	-80.93	361.77	4.82	-76.11
C[NH+](C)CCN1C=CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=N1	REAL300003374525	0	46	0.0	-103.34	394.72	4.54	-98.80
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374526	0	46	0.0	-69.06	389.80	4.49	-64.57
C[C@@H]1[C@H](C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC[N@@H+]1C	REAL300003374529	0	43	0.0	-87.46	347.77	4.19	-83.27
C[C@@H]1[C@H](C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC[N@H+]1C	REAL300003374529	1	43	0.0	-90.67	352.38	4.30	-86.37
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374531	1	47	0.0	-80.62	395.99	6.22	-74.40
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC[N@@H+]1C	REAL300003374534	0	46	0.0	-88.13	366.34	4.67	-83.46
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC[N@H+]1C	REAL300003374534	1	46	0.0	-88.68	372.36	4.96	-83.72
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=NN1	REAL300003374536	1	47	0.0	-94.43	395.54	4.08	-90.35
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=NN1	REAL300003374536	1	47	0.0	-93.42	396.25	4.08	-89.34
CC1C[N@H+](C)CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)O1	REAL300003374543	1	44	0.0	-99.97	368.93	4.11	-95.86
CC1C[N@@H+](C)CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)O1	REAL300003374543	1	44	0.0	-101.64	360.79	3.68	-97.96
CS(=O)(=O)C1=CC(NC(=O)C[NH+]2CCCC2)=CC(C(=O)[O-])=C1	REAL300003374549	1	40	0.0	-83.53	335.24	4.16	-79.37
CC1=[NH+]C=CN1CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374551	1	38	0.0	-80.28	339.46	4.63	-75.65
CC(C[NH+]1CCOCC1)C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374553	1	47	0.0	-86.87	381.30	3.74	-83.13
CC1CC[NH+](CC(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300003374572	1	46	0.0	-84.86	372.94	5.50	-79.36
C[N@@H+]1CCCC1CCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374618	0	46	0.0	-91.47	373.62	5.36	-86.11
C[N@H+]1CCCC1CCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374618	1	46	0.0	-85.13	371.42	5.03	-80.10
CS(=O)(=O)C1=CC(NC(=O)C23CCC[NH+](CCC2)C3)=CC(C(=O)[O-])=C1	REAL300003374628	0	47	0.0	-85.49	367.51	5.20	-80.29
CS(=O)(=O)C1=CC(NC(=O)C2CCC3CCCC[N@@H+]32)=CC(C(=O)[O-])=C1	REAL300003374631	0	47	0.0	-78.24	377.92	5.96	-72.28
CS(=O)(=O)C1=CC(NC(=O)C2CCC3CCCC[N@H+]32)=CC(C(=O)[O-])=C1	REAL300003374631	1	47	0.0	-79.15	377.58	5.95	-73.20
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374638	0	50	0.0	-79.85	389.86	4.10	-75.75
CC[NH+](CC)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374653	0	42	0.0	-81.86	345.47	4.36	-77.50
CCC(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+](C)C	REAL300003374730	0	42	0.0	-80.65	340.80	4.02	-76.63
CC1CCC(C)[NH+]1CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374775	0	46	0.0	-81.09	366.91	5.02	-76.07
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300003374776	0	46	0.0	-89.80	388.19	6.50	-83.30
C#CC[NH+]1CCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300003374827	0	45	0.0	-92.78	379.05	5.81	-86.97
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374829	0	49	0.0	-80.51	390.64	6.03	-74.48
CCC[N@H+]1CCCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374829	1	49	0.0	-82.05	381.54	5.83	-76.22
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374830	0	46	0.0	-69.58	380.93	6.77	-62.81
CC(C)[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374832	0	42	0.0	-81.04	344.45	4.21	-76.83
CC(C)[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374832	1	42	0.0	-81.34	344.17	4.23	-77.11
CC(C)C(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+]1CCCCC1	REAL300003374833	0	52	0.0	-81.73	399.21	7.03	-74.70
C[NH+](C)C(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1=CC=CC=C1	REAL300003374834	1	46	0.0	-81.58	384.42	6.51	-75.07
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374840	1	47	0.0	-80.28	395.18	6.18	-74.10
CS(=O)(=O)C1=CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=CC(C(=O)[O-])=C1	REAL300003374846	0	50	0.0	-86.92	386.24	6.13	-80.79
CS(=O)(=O)C1=CC(NC(=O)C2CCC[N@H+]2C2CCCC2)=CC(C(=O)[O-])=C1	REAL300003374846	1	50	0.0	-80.03	393.38	6.41	-73.62
CC[N@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CC1	REAL300003374848	1	43	0.0	-79.87	358.63	5.04	-74.83
CC[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)C1CC1	REAL300003374848	1	43	0.0	-80.07	354.79	4.79	-75.28
CC(C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)[NH+]1CCCCCC1	REAL300003374864	0	49	0.0	-79.34	379.49	5.46	-73.88
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374867	1	40	0.0	-80.59	335.47	4.06	-76.53
C[N@H+]1CCC[C@H]1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374867	1	40	0.0	-85.25	330.04	3.55	-81.70
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)O1	REAL300003374925	0	49	0.0	-93.94	409.43	6.19	-87.75
CS(=O)(=O)C1=CC(NC(=O)CCCC[NH+]2CCCC2)=CC(C(=O)[O-])=C1	REAL300003374926	0	49	0.0	-88.04	401.09	6.34	-81.70
C[N@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)CC1=CC=CC=C1	REAL300003374928	1	46	0.0	-88.77	386.69	6.60	-82.17
C[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1)CC1=CC=CC=C1	REAL300003374928	1	46	0.0	-87.97	386.71	6.59	-81.38
C[NH+](C)CC1=CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=NO1	REAL300003374968	1	42	0.0	-91.26	367.86	4.00	-87.26
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374980	0	46	0.0	-78.69	369.14	5.09	-73.60
CC(C)[N@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003374980	1	46	0.0	-80.02	368.66	5.13	-74.89
C[NH+]1CCC(OCC(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300003374999	0	47	0.0	-94.46	389.72	5.02	-89.44
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300003375136	0	49	0.0	-76.76	387.30	6.21	-70.55
CCC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300003375136	1	49	0.0	-76.77	387.31	6.21	-70.56
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003375158	0	49	0.0	-83.60	389.00	5.66	-77.94
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C1	REAL300003375158	1	49	0.0	-83.47	388.87	5.67	-77.80
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300003375332	0	49	0.0	-76.63	382.46	5.98	-70.65
CC(C)[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300003375332	1	49	0.0	-77.11	382.60	6.03	-71.08
C[N@@H+]1CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C(C(F)(F)F)C1	REAL300003375333	0	43	0.0	-96.41	367.06	4.49	-91.92
C[N@H+]1CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C(C(F)(F)F)C1	REAL300003375333	1	43	0.0	-87.27	365.00	4.82	-82.45
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)N1	REAL300003375356	1	44	0.0	-81.02	380.01	4.31	-76.71
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)=C1	REAL300003375721	0	49	0.0	-91.10	410.68	7.34	-83.76
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300003375835	0	43	0.0	-88.27	359.76	4.74	-83.53
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)CC1	REAL300003375839	0	49	0.0	-81.53	382.28	5.72	-75.81
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300003375891	0	52	0.0	-83.54	410.97	6.70	-76.84
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300003375891	1	52	0.0	-83.54	410.97	6.70	-76.84
CC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300003375892	0	46	0.0	-76.88	365.95	5.51	-71.37
CC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300003375892	1	46	0.0	-76.88	365.95	5.51	-71.37
C[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300003375897	0	43	0.0	-85.62	354.39	4.62	-81.00
C[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300003375897	1	43	0.0	-85.62	354.39	4.62	-81.00
CN(C)CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)O1	REAL300003375899	0	43	0.0	-96.88	373.52	4.73	-92.15
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)O1	REAL300003375899	1	43	0.0	-96.88	373.52	4.73	-92.15
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300003375905	0	52	0.0	-88.16	400.09	6.13	-82.03
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C(=O)[O-])=CC(S(C)(=O)=O)=C2)C1	REAL300003375905	1	52	0.0	-88.16	400.09	6.13	-82.03
CS(=O)(=O)C1=CC(NC(=O)C23CC(C2)CN3C2CC2)=CC(C(=O)[O-])=C1	REAL300003375908	0	45	0.0	-85.45	367.83	5.73	-79.72
CS(=O)(=O)C1=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=CC(C(=O)[O-])=C1	REAL300003375908	1	45	0.0	-88.56	366.80	6.15	-82.41
CS(=O)(=O)C1=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=CC(C(=O)[O-])=C1	REAL300003375908	1	45	0.0	-88.56	366.80	6.15	-82.41
O=C([O-])C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCCC1	REAL300003376998	0	56	0.0	-76.03	410.61	11.40	-64.63
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1CCCCC1	REAL300003378333	0	50	0.0	-68.79	363.35	9.23	-59.56
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3CCCCC3)CN21	REAL300003378356	1	48	0.0	-63.48	357.80	8.84	-54.64
CC1=NC(C[NH+]2CCC(C(=O)NC(C(=O)[O-])C3CCCCC3)CC2)=CS1	REAL300003378417	1	55	0.0	-75.13	418.03	9.16	-65.97
CC(C(=O)NC(C(=O)[O-])C1CCCCC1)N1CC[NH+](C)CC1	REAL300003378418	1	51	0.0	-71.45	368.36	6.17	-65.28
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(C(=O)[O-])C2CCCCC2)C=C1	REAL300003378489	0	59	0.0	-80.16	443.56	10.92	-69.24
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCCCC2)=C1	REAL300003378494	0	59	0.0	-79.61	444.36	13.25	-66.36
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCCCC2)=C1	REAL300003378494	1	59	0.0	-78.63	444.30	13.26	-65.37
O=C([O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1CCCCC1	REAL300003378546	0	41	0.0	-71.74	320.32	9.60	-62.14
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2CCCCC2)CCCCC1	REAL300003378571	0	55	0.0	-76.20	370.63	10.61	-65.59
C[N@H+](CCC(=O)NC(C(=O)[O-])C1CCCCC1)C1CCCCC1	REAL300003378574	0	55	0.0	-66.10	387.91	9.75	-56.35
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1CCCCC1)C1CCCCC1	REAL300003378574	1	55	0.0	-66.81	387.91	9.74	-57.07
O=C([O-])C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1CCCCC1	REAL300003378635	0	49	0.0	-79.13	381.47	8.96	-70.17
O=C([O-])C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1CCCCC1	REAL300003378651	0	57	0.0	-77.06	401.22	8.46	-68.60
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1CCCCC1	REAL300003378679	1	47	0.0	-68.76	361.14	8.99	-59.77
O=C(CCCC[NH+]1CCOCC1)NC(C(=O)[O-])C1CCCCC1	REAL300003378680	1	53	0.0	-75.71	388.43	7.69	-68.02
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCC2)C=C1)C(C)C	REAL300003378681	0	58	0.0	-77.04	418.95	11.44	-65.60
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCCCC2)C=C1)C(C)C	REAL300003378681	1	58	0.0	-77.19	409.74	10.99	-66.20
O=C([O-])C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300003378699	0	53	0.0	-66.96	398.21	10.70	-56.26
O=C([O-])C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCCC1	REAL300003378699	1	53	0.0	-67.50	394.49	10.66	-56.84
O=C([O-])C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1CCCCC1	REAL300003378700	0	54	0.0	-74.12	396.01	10.21	-63.91
O=C(CC1([NH+]2CCOCC2)CCCC1)NC(C(=O)[O-])C1CCCCC1	REAL300003378728	0	57	0.0	-69.10	388.02	8.00	-61.10
CC(C(=O)NC(C(=O)[O-])C1CCCCC1)[N@H+](C)CC1=CC=CC=C1	REAL300003378733	0	52	0.0	-57.96	384.40	10.15	-47.81
CC(C(=O)NC(C(=O)[O-])C1CCCCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300003378733	1	52	0.0	-63.54	385.13	10.07	-53.47
O=C([O-])C(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1CCCCC1	REAL300003378741	0	59	0.0	-60.14	429.62	12.59	-47.55
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CC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003387828	1	49	0.0	-82.15	386.86	8.12	-74.03
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)C2)N=N1	REAL300003387840	0	56	0.0	-70.29	428.26	10.25	-60.04
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)C2)N=N1	REAL300003387840	1	56	0.0	-69.65	427.81	10.31	-59.34
C[NH+](C)CC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C=N1	REAL300003387862	0	45	0.0	-85.67	364.75	5.39	-80.28
CCC[NH+](CCC)CCCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003387871	0	54	0.0	-82.70	412.53	8.21	-74.49
O=C([O-])C1=CN(C2CCN(C(=O)C(C3=CC=CC=C3)[NH+]3CCC(O)CC3)C2)N=N1	REAL300003387872	1	54	0.0	-80.89	418.39	5.99	-74.90
CC[N@H+](C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)C1=CC=CC=C1	REAL300003387873	0	49	0.0	-79.25	379.54	8.09	-71.16
CC[N@@H+](C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)C1=CC=CC=C1	REAL300003387873	1	49	0.0	-77.88	383.49	8.08	-69.80
C[N@@H+]1CCOC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003387875	1	41	0.0	-92.21	327.71	4.53	-87.68
C[N@H+]1CCOC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003387875	1	41	0.0	-71.15	320.58	4.35	-66.80
CC[NH+](CC)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)C1=CC=CC=C1	REAL300003387878	0	52	0.0	-80.35	390.87	8.67	-71.68
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003387887	1	44	0.0	-75.51	360.10	6.98	-68.53
C[NH+](C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)C1=CC=C(Cl)C=C1	REAL300003387892	1	46	0.0	-80.07	380.49	8.01	-72.06
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)C2)N=N1	REAL300003387905	0	50	0.0	-75.88	391.91	8.40	-67.48
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)C2)N=N1	REAL300003387913	0	53	0.0	-74.13	408.51	9.10	-65.03
C[NH+](C)CC1(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300003387920	0	43	0.0	-81.02	341.83	5.79	-75.23
C[NH+](C)CCCCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003387929	0	45	0.0	-83.77	359.80	6.43	-77.34
CC(C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+](C)C	REAL300003387938	0	45	0.0	-78.21	334.95	5.65	-72.56
O=C([O-])C1=CN(C2CCN(C(=O)CC3C[N@H+](CC4=CC=CC=C4)CCO3)C2)N=N1	REAL300003387940	1	54	0.0	-89.81	429.72	8.84	-80.97
O=C([O-])C1=CN(C2CCN(C(=O)CC3C[N@@H+](CC4=CC=CC=C4)CCO3)C2)N=N1	REAL300003387940	1	54	0.0	-90.61	428.81	8.86	-81.75
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)C2)N=N1	REAL300003387952	0	53	0.0	-81.26	404.18	9.07	-72.19
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)C2)N=N1	REAL300003387952	1	53	0.0	-82.13	403.87	9.09	-73.04
CC1=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C=NN1C1=CC=[NH+]C=C1	REAL300003387954	1	44	0.0	-86.39	365.51	5.70	-80.69
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)C2)N=N1	REAL300003387962	0	53	0.0	-74.58	408.81	9.12	-65.46
O=C([O-])C1=CN(C2CCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)C2)N=N1	REAL300003387976	1	46	0.0	-84.00	375.99	6.62	-77.38
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C=C1	REAL300003387977	0	49	0.0	-78.57	389.59	8.09	-70.48
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003387989	1	42	0.0	-72.63	344.46	4.86	-67.77
O=C([O-])C1=CN(C2CCN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)C2)N=N1	REAL300003387991	1	51	0.0	-86.44	397.11	7.91	-78.53
O=C([O-])C1=CN(C2CCN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)C2)N=N1	REAL300003387991	1	51	0.0	-84.66	397.29	7.97	-76.69
C[N@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)C1CCC1	REAL300003388022	0	43	0.0	-78.29	340.43	6.22	-72.07
C[N@@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)C1CCC1	REAL300003388022	1	43	0.0	-78.96	340.33	6.21	-72.75
CC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+]1CCSCC1	REAL300003388047	1	44	0.0	-80.89	352.34	6.18	-74.71
C[N@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)CC(C)(C)C	REAL300003388053	0	48	0.0	-80.66	362.28	6.66	-74.00
C[N@@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)CC(C)(C)C	REAL300003388053	1	48	0.0	-80.90	364.00	6.79	-74.11
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388055	0	49	0.0	-84.70	393.36	8.68	-76.02
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388055	1	49	0.0	-84.59	393.31	8.67	-75.92
COCCOCC[N@H+](C)CCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388056	0	53	0.0	-83.01	422.64	4.92	-78.09
COCCOCC[N@@H+](C)CCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388056	1	53	0.0	-84.82	422.68	4.92	-79.90
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003388061	0	47	0.0	-79.98	362.51	4.72	-75.26
C[N@H+]1CCCC(O)(CC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003388061	1	47	0.0	-80.79	352.81	4.56	-76.23
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)C2)N=N1	REAL300003388082	1	52	0.0	-86.59	399.17	7.33	-79.26
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)C2)N=N1	REAL300003388082	1	52	0.0	-87.08	398.48	7.33	-79.75
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CN=C3)C2)N=N1	REAL300003388083	1	52	0.0	-80.48	406.33	7.49	-72.99
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=CN=C3)C2)N=N1	REAL300003388083	1	52	0.0	-82.69	407.68	7.57	-75.12
CCCCCC[N@H+](C)CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388085	0	51	0.0	-82.19	397.90	7.99	-74.20
CCCCCC[N@@H+](C)CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388085	1	51	0.0	-82.23	397.94	8.00	-74.23
O=C([O-])C1=CN(C2CCN(C(=O)C34CCC[NH+]3CCC4)C2)N=N1	REAL300003388095	0	44	0.0	-75.04	331.99	5.65	-69.39
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)N=N1	REAL300003388103	1	38	0.0	-74.61	319.13	7.30	-67.31
C[N@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)C1CCSC1	REAL300003388119	0	44	0.0	-86.67	353.99	6.51	-80.16
C[N@@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)C1CCSC1	REAL300003388119	1	44	0.0	-85.67	353.72	6.51	-79.16
CC(C)[NH+]1CCN(CCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300003388136	0	54	0.0	-80.83	409.57	5.45	-75.38
CC(C)N1CC[NH+](CCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300003388136	1	54	0.0	-83.50	406.36	5.27	-78.23
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300003388137	0	57	0.0	-78.61	431.37	6.27	-72.34
CC(C)N1CC[NH+](CCCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300003388137	1	57	0.0	-83.12	427.79	6.06	-77.06
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC4CCC[N@@H+]43)C2)N=N1	REAL300003388138	0	47	0.0	-76.22	346.93	6.34	-69.88
O=C([O-])C1=CN(C2CCN(C(=O)C3CCCC4CCC[N@H+]43)C2)N=N1	REAL300003388138	1	47	0.0	-75.40	346.87	6.26	-69.14
C[NH+](C)CCN1C=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C=N1	REAL300003388140	0	46	0.0	-86.43	373.32	5.33	-81.10
O=C([O-])C1=CN(C2CCN(C(=O)CC[NH+]3CCN(C4=CC=CC=C4)CC3)C2)N=N1	REAL300003388149	0	55	0.0	-87.89	427.30	7.63	-80.26
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)C2)N=N1	REAL300003388152	0	52	0.0	-85.21	406.21	7.41	-77.80
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)C2)N=N1	REAL300003388152	1	52	0.0	-84.76	405.76	7.30	-77.46
CC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003388157	0	50	0.0	-80.57	391.39	8.59	-71.98
CC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003388157	1	50	0.0	-80.37	390.95	8.54	-71.83
CCC(CC)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+]1CCOCC1	REAL300003388174	1	56	0.0	-76.59	397.83	6.58	-70.01
CCCC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+](C)C	REAL300003388178	0	45	0.0	-78.93	346.11	6.07	-72.86
O=C([O-])C1=CN(C2CCN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)C2)N=N1	REAL300003388180	0	53	0.0	-86.67	417.06	9.42	-77.25
O=C([O-])C1=CN(C2CCN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)C2)N=N1	REAL300003388180	1	53	0.0	-87.06	420.61	9.48	-77.58
C[NH+](C)CCN1C=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)=N1	REAL300003388195	0	46	0.0	-90.53	376.75	5.91	-84.62
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388196	0	46	0.0	-73.00	368.66	5.38	-67.62
C[C@@H]1[C@H](C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC[N@@H+]1C	REAL300003388202	0	43	0.0	-84.95	330.57	5.20	-79.75
C[C@@H]1[C@H](C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC[N@H+]1C	REAL300003388202	1	43	0.0	-83.64	336.60	5.47	-78.17
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388204	1	47	0.0	-75.49	380.46	7.51	-67.98
CC[C@@H]1[C@@H](C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC[N@@H+]1C	REAL300003388207	0	46	0.0	-82.79	348.40	5.78	-77.01
CC[C@@H]1[C@@H](C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC[N@H+]1C	REAL300003388207	1	46	0.0	-81.58	352.19	6.14	-75.44
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)=NN1	REAL300003388210	1	47	0.0	-84.95	377.84	5.45	-79.50
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)=NN1	REAL300003388210	1	47	0.0	-84.89	378.53	5.43	-79.46
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388211	1	42	0.0	-76.72	339.67	6.00	-70.72
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388211	1	42	0.0	-77.63	343.76	6.36	-71.27
CC1C[N@H+](C)CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)O1	REAL300003388219	1	44	0.0	-92.13	342.05	5.24	-86.89
CC1C[N@@H+](C)CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)O1	REAL300003388219	1	44	0.0	-92.26	348.99	5.30	-86.96
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)C2)N=N1	REAL300003388225	1	49	0.0	-75.71	392.20	7.12	-68.59
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)C2)N=N1	REAL300003388225	1	49	0.0	-83.18	388.83	6.78	-76.40
CC1=[NH+]C=CN1CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388229	1	38	0.0	-76.89	322.61	5.81	-71.08
CC(C[NH+]1CCOCC1)C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388231	0	47	0.0	-84.33	365.48	4.84	-79.49
O=C([O-])C1=CN(C2CCN(C(=O)CC[NH+]3CCN(C4=CC=CC=N4)CC3)C2)N=N1	REAL300003388232	0	54	0.0	-87.83	425.00	7.05	-80.78
CC1CC[NH+](CC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300003388247	0	46	0.0	-81.45	357.77	6.77	-74.68
CC[N@@H+]1CCOC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003388261	1	44	0.0	-89.48	346.00	5.19	-84.29
CC[N@H+]1CCOC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003388261	1	44	0.0	-79.51	337.75	4.99	-74.52
O=C([O-])C1=CN(C2CCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)C2)N=N1	REAL300003388300	0	53	0.0	-83.13	399.35	8.07	-75.06
O=C([O-])C1=CN(C2CCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)C2)N=N1	REAL300003388300	1	53	0.0	-82.69	395.64	7.91	-74.78
C[N@@H+]1CCCC1CCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388307	0	46	0.0	-84.40	362.52	6.78	-77.62
C[N@H+]1CCCC1CCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388307	1	46	0.0	-80.90	356.19	6.28	-74.62
O=C([O-])C1=CN(C2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)N=N1	REAL300003388320	0	47	0.0	-73.01	341.55	5.93	-67.08
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388322	0	44	0.0	-85.14	333.60	1.98	-83.16
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388322	1	44	0.0	-78.28	334.13	1.61	-76.67
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC4CCCC[N@@H+]43)C2)N=N1	REAL300003388323	0	47	0.0	-75.11	359.19	7.02	-68.09
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC4CCCC[N@H+]43)C2)N=N1	REAL300003388323	1	47	0.0	-76.12	354.95	6.68	-69.44
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388330	0	50	0.0	-81.27	368.17	4.90	-76.37
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C=N1	REAL300003388335	0	53	0.0	-84.67	407.68	6.70	-77.97
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C=N1	REAL300003388335	1	53	0.0	-85.25	407.19	6.69	-78.56
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(N4C=C(C(=O)[O-])N=N4)C3)=C2)CC1	REAL300003388339	0	55	0.0	-74.68	425.56	6.67	-68.01
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(N4C=C(C(=O)[O-])N=N4)C3)C=C2)CC1	REAL300003388340	0	55	0.0	-87.44	427.58	6.72	-80.72
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(N4C=C(C(=O)[O-])N=N4)C3)C=C2)CC1	REAL300003388340	1	55	0.0	-90.27	427.03	6.60	-83.67
CC(C)[NH+]1CCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300003388349	0	49	0.0	-83.46	373.24	6.97	-76.49
O=C([O-])C1=CN(C2CCN(C(=O)C34CC[NH+](CC3)C4)C2)N=N1	REAL300003388431	0	41	0.0	-84.13	319.08	4.41	-79.72
O=C([O-])C1=CN(C2CCN(C(=O)C34CC[N@H+](C3)CCC4)C2)N=N1	REAL300003388441	0	44	0.0	-82.71	327.94	5.10	-77.61
O=C([O-])C1=CN(C2CCN(C(=O)C34CC[N@@H+](C3)CCC4)C2)N=N1	REAL300003388441	1	44	0.0	-86.72	326.37	5.04	-81.68
CC1CCC(C)[NH+]1CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388490	0	46	0.0	-77.01	351.39	6.26	-70.75
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)=C1	REAL300003388491	0	46	0.0	-90.92	367.24	7.23	-83.69
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)C2)N=N1	REAL300003388492	0	53	0.0	-78.30	404.78	9.31	-68.99
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)C2)N=N1	REAL300003388492	1	53	0.0	-81.39	416.28	9.34	-72.05
C[NH+](C)C1(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CCC1	REAL300003388532	0	43	0.0	-82.01	322.21	5.18	-76.83
C#CC[NH+]1CCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300003388566	0	45	0.0	-87.96	359.57	6.82	-81.14
CCC[N@@H+]1CCCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388568	0	49	0.0	-76.42	374.89	7.19	-69.23
CCC[N@H+]1CCCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388568	1	49	0.0	-77.18	362.31	6.72	-70.46
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388569	0	46	0.0	-70.01	367.32	7.35	-62.66
CC[NH+]1CCN(CCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300003388571	0	51	0.0	-83.07	392.79	4.93	-78.14
CCN1CC[NH+](CCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300003388571	1	51	0.0	-83.84	393.05	4.95	-78.89
CC(C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+]1CCCCC1	REAL300003388573	0	52	0.0	-76.67	379.93	7.95	-68.72
C[NH+](C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)C1=CC=CC=C1	REAL300003388574	1	46	0.0	-79.08	366.22	7.49	-71.59
O=C([O-])C1=CN(C2CCN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)C2)N=N1	REAL300003388578	0	51	0.0	-81.74	406.89	5.72	-76.02
O=C([O-])C1=CN(C2CCN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)C2)N=N1	REAL300003388578	1	51	0.0	-70.34	403.48	5.92	-64.42
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388584	1	47	0.0	-75.23	379.95	7.45	-67.78
C[NH+](C)CC1=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)OC2=CC=CC=C21	REAL300003388585	0	49	0.0	-70.62	397.27	8.11	-62.51
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)C2)N=N1	REAL300003388590	0	50	0.0	-79.44	369.75	7.85	-71.59
O=C([O-])C1=CN(C2CCN(C(=O)C3CCC[N@H+]3C3CCCC3)C2)N=N1	REAL300003388590	1	50	0.0	-78.49	379.60	7.58	-70.91
CC[N@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)C1CC1	REAL300003388592	0	43	0.0	-76.90	343.10	6.30	-70.60
CC[N@@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)C1CC1	REAL300003388592	1	43	0.0	-77.71	340.62	6.28	-71.43
CC(C)C(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+]1CC(C)OC(C)C1	REAL300003388621	1	56	0.0	-78.42	414.10	7.04	-71.38
CC(C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+]1CCCCCC1	REAL300003388622	0	49	0.0	-76.04	361.79	6.65	-69.39
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(N4C=C(C(=O)[O-])N=N4)C3)=CC=C1N2	REAL300003388664	1	51	0.0	-92.82	402.43	7.62	-85.20
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(N4C=C(C(=O)[O-])N=N4)C3)=CC=C1N2	REAL300003388664	1	51	0.0	-95.46	403.98	7.69	-87.77
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)O1	REAL300003388715	0	49	0.0	-85.79	386.98	7.17	-78.62
O=C([O-])C1=CN(C2CCN(C(=O)CCCC[NH+]3CCCC3)C2)N=N1	REAL300003388716	0	49	0.0	-82.39	385.77	7.60	-74.79
CC1=CC=C(N2CCC(C(=O)N3CCC(N4C=C(C(=O)[O-])N=N4)C3)CC2)[NH+]=C1	REAL300003388718	1	52	0.0	-69.08	409.08	7.25	-61.83
C[N@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)CC1=CC=CC=C1	REAL300003388719	1	46	0.0	-85.73	370.83	7.83	-77.90
C[N@@H+](CC(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)CC1=CC=CC=C1	REAL300003388719	1	46	0.0	-85.80	370.87	7.83	-77.97
CC(C)[C@@H](C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1)[NH+](C)C	REAL300003388730	0	45	0.0	-76.94	337.14	5.73	-71.21
O=C([O-])C1=CN(C2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C2)N=N1	REAL300003388748	1	41	0.0	-86.29	348.50	5.29	-81.00
C[NH+](C)CC1=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)=NO1	REAL300003388778	1	42	0.0	-86.13	350.30	5.48	-80.65
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388782	0	53	0.0	-91.96	417.18	9.17	-82.79
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388782	1	53	0.0	-83.81	414.90	9.36	-74.45
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388798	0	46	0.0	-78.23	344.82	6.50	-71.73
CC(C)[N@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003388798	1	46	0.0	-77.10	345.18	6.69	-70.41
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C=C1	REAL300003388806	0	54	0.0	-86.63	435.52	8.69	-77.94
C[NH+]1CCC(OCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300003388825	0	47	0.0	-87.81	374.39	6.42	-81.39
O=C([O-])C1=CN(C2CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)C2)N=N1	REAL300003388830	0	50	0.0	-86.64	396.22	7.86	-78.78
CCC[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003389027	0	49	0.0	-80.63	373.59	6.99	-73.64
CCC[N@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003389027	1	49	0.0	-74.54	367.46	7.15	-67.39
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003389059	0	49	0.0	-77.21	374.55	7.25	-69.96
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(N2C=C(C(=O)[O-])N=N2)C1	REAL300003389059	1	49	0.0	-78.36	366.43	7.54	-70.82
O=C([O-])C1=CN(C2CCN(C(=O)C[NH+]3CCC(CO)CC3)C2)N=N1	REAL300003389060	0	47	0.0	-82.41	368.55	3.44	-78.97
O=C([O-])C1=CN(C2CCN(C(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)C2)N=N1	REAL300003389168	0	54	0.0	-90.93	418.61	9.49	-81.44
O=C([O-])C1=CN(C2CCN(C(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)C2)N=N1	REAL300003389168	1	54	0.0	-90.86	421.78	9.47	-81.39
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003389299	0	49	0.0	-73.71	362.58	6.92	-66.79
CC(C)[N@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003389299	1	49	0.0	-78.85	368.97	6.78	-72.07
C[N@@H+]1CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C(C(F)(F)F)C1	REAL300003389300	0	43	0.0	-85.61	344.16	6.14	-79.47
C[N@H+]1CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C(C(F)(F)F)C1	REAL300003389300	1	43	0.0	-85.84	347.88	5.59	-80.25
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)N1	REAL300003389326	1	44	0.0	-76.27	365.68	5.63	-70.64
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)=C1	REAL300003389829	0	49	0.0	-82.43	390.87	8.13	-74.30
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C=C1	REAL300003389836	0	50	0.0	-75.48	396.82	7.02	-68.46
O=C([O-])C1=CN(C2CCN(C(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)C2)N=N1	REAL300003389934	0	56	0.0	-83.02	434.14	10.23	-72.79
CC1CN(CC2=CC=C(C(=O)N3CCC(N4C=C(C(=O)[O-])N=N4)C3)C=C2)CCO1	REAL300003389936	0	54	0.0	-90.40	421.47	7.45	-82.95
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(N4C=C(C(=O)[O-])N=N4)C3)C=C2)CCO1	REAL300003389936	1	54	0.0	-90.36	421.32	7.45	-82.91
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(N4C=C(C(=O)[O-])N=N4)C3)C=C2)CCO1	REAL300003389936	1	54	0.0	-90.36	421.32	7.45	-82.91
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003389981	0	43	0.0	-83.34	343.29	5.96	-77.38
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)CC1	REAL300003389985	0	49	0.0	-72.54	364.54	6.93	-65.61
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(N4C=C(C(=O)[O-])N=N4)C3)=CN21	REAL300003389989	0	41	0.0	-64.08	350.86	7.41	-56.67
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003390055	0	52	0.0	-80.97	396.38	7.84	-73.13
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003390055	1	52	0.0	-71.56	395.37	7.82	-63.74
CC[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003390056	0	46	0.0	-72.90	346.92	6.53	-66.37
CC[N@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003390056	1	46	0.0	-81.18	357.44	6.42	-74.76
C[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003390060	0	43	0.0	-74.33	328.55	5.78	-68.55
C[N@H+]1CCCC(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003390060	1	43	0.0	-73.13	329.15	5.87	-67.26
C[NH+](C)CC1=CC=C(C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)O1	REAL300003390062	1	43	0.0	-87.94	354.63	5.99	-81.95
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003390068	0	52	0.0	-89.96	378.18	6.76	-83.20
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(N3C=C(C(=O)[O-])N=N3)C2)C1	REAL300003390068	1	52	0.0	-90.70	370.86	6.34	-84.36
O=C([O-])C1=CN(C2CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)N=N1	REAL300003390071	0	45	0.0	-79.21	348.58	6.70	-72.51
O=C([O-])C1=CN(C2CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)N=N1	REAL300003390071	1	45	0.0	-79.65	340.54	7.38	-72.27
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4CC[NH+](C5CC5)CC4)CC3)C2=C1	REAL300003391682	0	52	0.0	-68.68	392.57	10.60	-58.08
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4COCC[N@@H+]4C4CCCC4)CC3)C2=C1	REAL300003391702	1	56	0.0	-87.76	403.58	9.14	-78.62
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4COCC[N@H+]4C4CCCC4)CC3)C2=C1	REAL300003391702	1	56	0.0	-82.18	408.58	9.15	-73.03
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4CCC[N@@H+]4C4CC4)CC3)C2=C1	REAL300003391704	0	49	0.0	-91.28	372.17	9.70	-81.58
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4CCC[N@H+]4C4CC4)CC3)C2=C1	REAL300003391704	1	49	0.0	-84.69	369.71	9.88	-74.81
CC1=[NH+]C=C2CCC(C(=O)N3CCC4=C(C3)C3=CC(C(=O)[O-])=CC=C3N4)CN21	REAL300003391710	1	50	0.0	-84.83	391.52	10.40	-74.43
C[NH+](C)CC(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2	REAL300003391772	0	41	0.0	-90.45	323.62	7.81	-82.64
C[N@@H+]1CCCCC1C(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2	REAL300003391773	0	48	0.0	-91.44	355.66	9.10	-82.34
C[N@H+]1CCCCC1C(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2	REAL300003391773	1	48	0.0	-87.29	350.61	8.78	-78.51
CC(C(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2)N1CC[NH+](C)CC1	REAL300003391774	1	53	0.0	-86.99	390.99	7.33	-79.66
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2	REAL300003391807	0	48	0.0	-84.85	362.35	9.31	-75.54
C[N@H+]1CCCC[C@H]1C(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2	REAL300003391807	1	48	0.0	-87.77	349.73	8.81	-78.96
C[NH+]1CCC(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)CC1	REAL300003391863	0	48	0.0	-96.53	368.20	9.38	-87.15
C[N@H+](CCC(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2)C1CCCCC1	REAL300003391922	0	57	0.0	-94.26	422.03	11.47	-82.79
C[N@@H+](CCC(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2)C1CCCCC1	REAL300003391922	1	57	0.0	-94.40	422.03	11.46	-82.94
C[N@@H+]1CCCC1C(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2	REAL300003391935	0	45	0.0	-86.69	343.19	8.56	-78.13
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CC[N@@H+](CC(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2)C1CC1	REAL300003392659	1	48	0.0	-87.11	370.04	9.82	-77.29
CC(C(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2)[NH+]1CCCCCC1	REAL300003392675	0	54	0.0	-84.99	390.82	10.13	-74.86
C[N@@H+]1CCC[C@H]1C(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2	REAL300003392678	0	45	0.0	-85.86	344.11	8.55	-77.31
C[N@H+]1CCC[C@H]1C(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2	REAL300003392678	1	45	0.0	-88.68	342.20	8.33	-80.35
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)O1	REAL300003392735	0	54	0.0	-64.66	421.27	11.09	-53.57
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)CCCC[NH+]4CCCC4)CC3)C2=C1	REAL300003392736	0	54	0.0	-92.46	414.73	11.16	-81.30
C[N@H+](CC(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2)CC1=CC=CC=C1	REAL300003392738	1	51	0.0	-95.68	400.06	11.38	-84.30
C[N@@H+](CC(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2)CC1=CC=CC=C1	REAL300003392738	1	51	0.0	-95.50	400.32	11.40	-84.10
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C4=CN(C5=CC=[NH+]C=C5)N=C4)CC3)C2=C1	REAL300003392763	1	46	0.0	-95.18	379.71	8.93	-86.25
C[NH+](C)CC1=CC(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)=NO1	REAL300003392778	1	47	0.0	-81.05	380.00	9.15	-71.90
CC(C)[N@@H+]1CCCC1C(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2	REAL300003392790	0	51	0.0	-85.13	376.00	9.64	-75.49
CC(C)[N@H+]1CCCC1C(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2	REAL300003392790	1	51	0.0	-85.17	378.73	9.73	-75.44
C[NH+]1CCC(OCC(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)CC1	REAL300003392809	0	52	0.0	-98.27	403.56	9.99	-88.28
CCC[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C1	REAL300003392942	0	54	0.0	-89.55	397.65	10.67	-78.88
CCC[N@H+]1CCCC(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C1	REAL300003392942	1	54	0.0	-97.30	407.28	10.76	-86.54
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2	REAL300003392963	0	54	0.0	-86.33	403.16	10.78	-75.55
CC(C)C[N@H+]1CCCC1C(=O)N1CCC2=C(C1)C1=CC(C(=O)[O-])=CC=C1N2	REAL300003392963	1	54	0.0	-87.52	400.94	10.45	-77.07
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C[NH+]4CCC(CO)CC4)CC3)C2=C1	REAL300003392964	0	52	0.0	-91.93	397.21	7.00	-84.93
CC(C)[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C1	REAL300003393134	0	54	0.0	-89.50	401.51	10.48	-79.02
CC(C)[N@H+]1CCCC(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C1	REAL300003393134	1	54	0.0	-94.38	401.96	10.56	-83.82
C[N@@H+]1CC(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C(C(F)(F)F)C1	REAL300003393135	0	48	0.0	-93.57	372.83	9.68	-83.89
C[N@H+]1CC(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C(C(F)(F)F)C1	REAL300003393135	1	48	0.0	-95.83	373.36	9.16	-86.67
CC1=C(C)[NH+]=C(CCC(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)N1	REAL300003393158	1	49	0.0	-85.75	393.85	9.15	-76.60
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)=C1	REAL300003393515	0	54	0.0	-70.04	422.39	11.76	-58.28
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C1	REAL300003393625	0	48	0.0	-92.54	372.14	9.53	-83.01
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)CC1	REAL300003393629	0	54	0.0	-71.15	391.81	10.26	-60.89
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C1	REAL300003393681	0	57	0.0	-96.11	424.20	11.46	-84.65
CC(C)C[N@H+]1CCCC(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C1	REAL300003393681	1	57	0.0	-96.11	424.20	11.46	-84.65
CC[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C1	REAL300003393682	0	51	0.0	-90.66	373.27	9.79	-80.87
CC[N@H+]1CCCC(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C1	REAL300003393682	1	51	0.0	-90.66	373.27	9.79	-80.87
C[N@@H+]1CCCC(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C1	REAL300003393687	0	48	0.0	-80.39	358.74	9.48	-70.91
C[N@H+]1CCCC(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C1	REAL300003393687	1	48	0.0	-80.39	358.74	9.48	-70.91
CN(C)CC1=CC=C(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)O1	REAL300003393689	0	48	0.0	-66.58	384.84	9.64	-56.94
C[NH+](C)CC1=CC=C(C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)O1	REAL300003393689	1	48	0.0	-66.58	384.84	9.64	-56.94
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C1	REAL300003393695	0	57	0.0	-105.33	397.11	9.82	-95.51
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC3=C(C2)C2=CC(C(=O)[O-])=CC=C2N3)C1	REAL300003393695	1	57	0.0	-105.33	397.11	9.82	-95.51
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C45CC(C4)C[N@@H+]5C4CC4)CC3)C2=C1	REAL300003393698	0	50	0.0	-90.70	367.53	10.62	-80.08
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)C45CC(C4)C[N@H+]5C4CC4)CC3)C2=C1	REAL300003393698	1	50	0.0	-90.70	367.53	10.62	-80.08
O=C([O-])C1=CSC(C2CCCN2C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=N1	REAL300003394498	0	53	0.0	-95.19	425.09	10.91	-84.28
O=C([O-])C1=CSC(C2CCCN2C(=O)C2CC[NH+](C3CC3)CC2)=N1	REAL300003395598	0	47	0.0	-91.02	373.59	8.55	-82.47
CC1=[NH+]C=C2CCC(C(=O)N3CCCC3C3=NC(C(=O)[O-])=CS3)CN21	REAL300003395622	1	45	0.0	-80.98	372.15	8.38	-72.60
CC(C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)N1CC[NH+](C)CC1	REAL300003395686	1	48	0.0	-82.95	370.80	5.29	-77.66
C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003395716	1	43	0.0	-79.22	343.92	7.25	-71.97
C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003395716	1	43	0.0	-82.70	330.16	6.77	-75.93
C[NH+]1CCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC1	REAL300003395779	0	43	0.0	-91.80	348.57	7.33	-84.47
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CN3C=[NH+]C=C3C=C2)=N1	REAL300003395806	0	38	0.0	-90.43	339.40	9.17	-81.26
C[NH+](C)CC1(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CCCCC1	REAL300003395835	0	52	0.0	-92.85	367.10	8.50	-84.35
C[N@H+](CCC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)C1CCCCC1	REAL300003395839	0	52	0.0	-88.63	402.52	9.41	-79.22
C[N@@H+](CCC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)C1CCCCC1	REAL300003395839	1	52	0.0	-88.62	402.51	9.40	-79.22
C[N@@H+]1CCCC1C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003395852	0	40	0.0	-80.17	325.27	6.61	-73.56
C[N@H+]1CCCC1C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003395852	1	40	0.0	-82.71	320.55	6.21	-76.50
C[NH+]1CCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC1	REAL300003395898	0	43	0.0	-91.80	348.57	7.33	-84.47
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=N1	REAL300003395901	0	46	0.0	-97.19	389.28	7.97	-89.22
O=C([O-])C1=CSC(C2CCCN2C(=O)C2CCC([NH+]3CCOCC3)CC2)=N1	REAL300003395912	0	54	0.0	-94.93	416.01	7.95	-86.98
CC1=[NH+]C=CN1CCCC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003395943	1	44	0.0	-83.67	375.07	8.72	-74.95
O=C([O-])C1=CSC(C2CCCN2C(=O)CCCC[NH+]2CCOCC2)=N1	REAL300003395944	1	50	0.0	-90.96	402.36	7.39	-83.57
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003395948	0	40	0.0	-83.83	322.61	6.26	-77.57
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003395948	1	40	0.0	-79.11	325.28	6.52	-72.59
O=C([O-])C1=CSC(C2CCCN2C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300003395981	0	50	0.0	-89.24	404.80	10.01	-79.23
O=C([O-])C1=CSC(C2CCCN2C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300003395981	1	50	0.0	-87.39	407.49	10.16	-77.23
O=C([O-])C1=CSC(C2CCCN2C(=O)C2CC[NH+](C3CCSC3)CC2)=N1	REAL300003395982	0	51	0.0	-96.99	406.35	9.46	-87.53
O=C([O-])C1=CSC(C2CCCN2C(=O)CC2([NH+]3CCOCC3)CCCC2)=N1	REAL300003396004	0	54	0.0	-89.11	400.86	7.66	-81.45
CCC(C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)[NH+](CC)CC	REAL300003396008	0	48	0.0	-78.74	363.31	7.88	-70.86
CC(C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)[N@H+](C)CC1=CC=CC=C1	REAL300003396010	0	49	0.0	-86.08	397.55	9.71	-76.37
CC(C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)[N@@H+](C)CC1=CC=CC=C1	REAL300003396010	1	49	0.0	-86.09	397.54	9.73	-76.36
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C=N1	REAL300003396029	0	45	0.0	-94.91	374.02	7.36	-87.55
CCC[NH+](CCC)CCCC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396032	0	54	0.0	-86.64	426.66	10.02	-76.62
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396041	1	44	0.0	-79.01	369.82	8.49	-70.52
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=N1	REAL300003396054	0	50	0.0	-97.63	403.73	10.01	-87.62
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=N1	REAL300003396058	0	53	0.0	-88.41	419.91	10.72	-77.69
C[NH+](C)CC1(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC1	REAL300003396061	0	43	0.0	-83.30	353.71	7.41	-75.89
C[NH+](C)CCCCC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396068	0	45	0.0	-89.46	369.46	7.95	-81.51
CC1=C(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C=NN1C1=CC=[NH+]C=C1	REAL300003396085	1	44	0.0	-92.86	377.32	7.31	-85.55
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=N1	REAL300003396088	0	53	0.0	-98.02	420.48	10.72	-87.30
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=NOC(C[NH+]3CCCC3)=C2)=N1	REAL300003396098	1	46	0.0	-89.42	384.57	8.11	-81.31
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C=C1	REAL300003396099	0	49	0.0	-99.44	401.41	9.71	-89.73
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396104	1	42	0.0	-79.34	352.38	6.34	-73.00
CCC[N@H+](C)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396111	0	42	0.0	-83.59	343.33	7.18	-76.41
CCC[N@@H+](C)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396111	1	42	0.0	-83.58	343.30	7.18	-76.40
C[N@H+](CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)C1CCC1	REAL300003396125	0	43	0.0	-81.00	350.32	7.76	-73.24
C[N@@H+](CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)C1CCC1	REAL300003396125	1	43	0.0	-81.36	350.22	7.76	-73.60
C[N@H+](CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)CC(C)(C)C	REAL300003396149	0	48	0.0	-83.77	371.93	8.18	-75.59
C[N@@H+](CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)CC(C)(C)C	REAL300003396149	1	48	0.0	-83.65	374.20	8.34	-75.31
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396151	0	49	0.0	-86.27	403.20	10.21	-76.06
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396151	1	49	0.0	-86.36	403.23	10.21	-76.15
COCCOCC[N@H+](C)CCC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396152	0	53	0.0	-86.97	432.23	6.43	-80.54
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396152	1	53	0.0	-88.82	432.28	6.43	-82.39
CC[C@@H](C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)[NH+](C)C	REAL300003396155	0	42	0.0	-79.66	331.06	6.65	-73.01
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C1	REAL300003396157	0	47	0.0	-77.36	365.03	5.97	-71.39
C[N@H+]1CCCC(O)(CC(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C1	REAL300003396157	1	47	0.0	-86.11	361.86	6.07	-80.04
CCCCCC[N@H+](C)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396169	0	51	0.0	-84.86	407.82	9.52	-75.34
CCCCCC[N@@H+](C)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396169	1	51	0.0	-84.84	407.80	9.52	-75.32
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CC3=C[NH+]=CN3C=C2)=N1	REAL300003396183	1	38	0.0	-93.07	339.50	9.19	-83.88
C[N@H+](CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)C1CCSC1	REAL300003396192	0	44	0.0	-88.22	363.42	8.02	-80.20
C[N@@H+](CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)C1CCSC1	REAL300003396192	1	44	0.0	-90.27	363.41	8.00	-82.27
CC(C)[NH+]1CCN(CCC(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC1	REAL300003396207	0	54	0.0	-87.67	419.45	6.99	-80.68
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC1	REAL300003396208	0	57	0.0	-84.00	440.95	7.78	-76.22
CC(C)N1CC[NH+](CCCC(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC1	REAL300003396208	1	57	0.0	-87.55	437.39	7.57	-79.98
O=C([O-])C1=CSC(C2CCCN2C(=O)C2CCCC3CCC[N@@H+]32)=N1	REAL300003396209	0	47	0.0	-77.46	369.74	8.47	-68.99
O=C([O-])C1=CSC(C2CCCN2C(=O)C2CCCC3CCC[N@H+]32)=N1	REAL300003396209	1	47	0.0	-76.77	368.82	8.42	-68.35
C[NH+](C)CCN1C=C(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C=N1	REAL300003396211	0	46	0.0	-94.01	383.01	6.90	-87.11
CC(C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003396220	1	50	0.0	-85.25	394.92	9.99	-75.26
CC(C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003396220	1	50	0.0	-85.29	395.03	9.99	-75.30
O=C([O-])C1=CSC(C2CCCN2C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300003396235	0	53	0.0	-91.51	426.66	10.95	-80.56
O=C([O-])C1=CSC(C2CCCN2C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300003396235	1	53	0.0	-92.26	429.57	11.04	-81.22
C[NH+](C)CCN1C=CC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)=N1	REAL300003396248	0	46	0.0	-103.75	385.80	7.51	-96.24
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396249	0	46	0.0	-68.35	378.84	6.92	-61.43
C[C@@H]1[C@H](C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC[N@@H+]1C	REAL300003396251	0	43	0.0	-88.84	340.97	7.06	-81.78
C[C@@H]1[C@H](C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC[N@H+]1C	REAL300003396251	1	43	0.0	-90.74	346.52	6.98	-83.76
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396252	1	47	0.0	-80.80	390.05	9.01	-71.79
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC[N@@H+]1C	REAL300003396255	0	46	0.0	-88.77	360.50	7.36	-81.41
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC[N@H+]1C	REAL300003396255	1	46	0.0	-85.69	361.35	7.78	-77.91
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)=NN1	REAL300003396257	1	47	0.0	-93.33	386.93	7.08	-86.25
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)=NN1	REAL300003396257	1	47	0.0	-93.38	387.34	7.07	-86.31
CC1C[N@H+](C)CC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)O1	REAL300003396262	1	44	0.0	-88.83	351.20	6.60	-82.23
CC1C[N@@H+](C)CC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)O1	REAL300003396262	1	44	0.0	-102.35	351.47	6.38	-95.97
O=C([O-])C1=CSC(C2CCCN2C(=O)C[NH+]2CCCC2)=N1	REAL300003396268	0	40	0.0	-83.57	329.58	6.91	-76.66
CC1=[NH+]C=CN1CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396270	1	38	0.0	-79.43	333.50	7.38	-72.05
CC(C[NH+]1CCOCC1)C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396272	1	47	0.0	-88.31	374.98	6.37	-81.94
CC1CC[NH+](CC(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC1	REAL300003396291	0	46	0.0	-85.04	366.67	8.24	-76.80
CC[N@@H+]1CCOC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C1	REAL300003396302	1	44	0.0	-100.10	354.72	6.66	-93.44
CC[N@H+]1CCOC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C1	REAL300003396302	1	44	0.0	-88.13	347.00	6.51	-81.62
O=C([O-])C1=CSC(C2CCCN2C(=O)C2CC[N@@H+](C3CCCCC3)C2)=N1	REAL300003396331	0	53	0.0	-87.75	407.54	9.60	-78.15
O=C([O-])C1=CSC(C2CCCN2C(=O)C2CC[N@H+](C3CCCCC3)C2)=N1	REAL300003396331	1	53	0.0	-85.74	407.68	9.57	-76.17
C[N@@H+]1CCCC1CCC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396337	0	46	0.0	-84.98	365.80	7.82	-77.16
C[N@H+]1CCCC1CCC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396337	1	46	0.0	-84.72	366.02	7.83	-76.89
O=C([O-])C1=CSC(C2CCCN2C(=O)C2CCC3CCCC[N@@H+]32)=N1	REAL300003396348	0	47	0.0	-81.72	364.14	8.22	-73.50
O=C([O-])C1=CSC(C2CCCN2C(=O)C2CCC3CCCC[N@H+]32)=N1	REAL300003396348	1	47	0.0	-82.18	363.40	8.21	-73.97
CC[NH+](CC)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396368	0	42	0.0	-82.14	339.83	7.12	-75.02
CC(C)[NH+]1CCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC1	REAL300003396370	0	49	0.0	-89.48	382.88	8.52	-80.96
O=C([O-])C1=CSC(C2CCCN2C(=O)C23CC[NH+](CC2)C3)=N1	REAL300003396437	0	41	0.0	-90.47	328.92	6.02	-84.45
CCC(C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)[NH+](C)C	REAL300003396440	0	42	0.0	-81.65	331.11	6.83	-74.82
O=C([O-])C1=CSC(C2CCCN2C(=O)C23CC[N@H+](C2)CCC3)=N1	REAL300003396447	0	44	0.0	-95.16	335.95	6.59	-88.57
O=C([O-])C1=CSC(C2CCCN2C(=O)C23CC[N@@H+](C2)CCC3)=N1	REAL300003396447	1	44	0.0	-88.67	337.85	6.63	-82.04
CC1CCC(C)[NH+]1CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396482	0	46	0.0	-79.88	360.82	7.67	-72.21
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)=C1	REAL300003396483	0	46	0.0	-89.92	378.39	8.87	-81.05
O=C([O-])C1=CSC(C2CCCN2C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=N1	REAL300003396484	0	53	0.0	-85.35	425.56	10.86	-74.49
O=C([O-])C1=CSC(C2CCCN2C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=N1	REAL300003396484	1	53	0.0	-80.61	415.45	10.98	-69.63
C#CC[NH+]1CCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC1	REAL300003396532	0	45	0.0	-94.13	369.47	8.34	-85.79
CC[NH+]1CCN(CCC(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC1	REAL300003396534	0	51	0.0	-89.05	402.70	6.48	-82.57
CCN1CC[NH+](CCC(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC1	REAL300003396534	1	51	0.0	-87.33	402.70	6.47	-80.86
CC(C)[N@H+](C)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396535	0	42	0.0	-80.87	338.49	6.97	-73.90
CC(C)[N@@H+](C)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396535	1	42	0.0	-80.94	338.52	6.97	-73.97
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396540	1	47	0.0	-80.24	389.51	8.96	-71.28
CC[N@H+](CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)C1CC1	REAL300003396547	0	43	0.0	-80.12	352.92	7.80	-72.32
CC[N@@H+](CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)C1CC1	REAL300003396547	1	43	0.0	-81.31	350.27	7.81	-73.50
CC(C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)[NH+]1CCCCCC1	REAL300003396570	0	49	0.0	-78.64	366.94	8.13	-70.51
C[N@@H+]1CCC[C@H]1C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396573	0	40	0.0	-80.44	327.34	6.64	-73.80
C[N@H+]1CCC[C@H]1C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396573	1	40	0.0	-83.86	322.61	6.26	-77.60
CC(C)(C)[NH2+]CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396639	0	42	0.0	-81.71	343.05	5.48	-76.23
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)O1	REAL300003396641	0	49	0.0	-94.83	401.48	9.03	-85.80
O=C([O-])C1=CSC(C2CCCN2C(=O)CCCC[NH+]2CCCC2)=N1	REAL300003396642	0	49	0.0	-87.76	395.42	9.12	-78.64
C[N@H+](CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)CC1=CC=CC=C1	REAL300003396644	1	46	0.0	-88.99	380.73	9.36	-79.63
C[N@@H+](CC(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1)CC1=CC=CC=C1	REAL300003396644	1	46	0.0	-88.98	380.81	9.37	-79.61
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)=N1	REAL300003396668	1	41	0.0	-91.85	357.96	6.86	-84.99
C[NH+](C)CC1=CC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)=NO1	REAL300003396689	1	42	0.0	-91.01	360.28	7.06	-83.95
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396692	0	53	0.0	-95.00	424.74	10.70	-84.30
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396692	1	53	0.0	-86.24	424.49	10.86	-75.38
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396703	0	46	0.0	-83.76	343.39	7.41	-76.35
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1C1=NC(C(=O)[O-])=CS1	REAL300003396703	1	46	0.0	-79.88	358.91	7.71	-72.17
C[NH+]1CCC(OCC(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC1	REAL300003396720	0	47	0.0	-94.76	384.05	7.94	-86.82
O=C([O-])C1=CSC(C2CCCN2C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=N1	REAL300003396724	0	50	0.0	-96.51	406.19	9.42	-87.09
CCC[N@@H+]1CCCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C1	REAL300003396861	0	49	0.0	-85.58	383.45	8.52	-77.06
CCC[N@H+]1CCCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C1	REAL300003396861	1	49	0.0	-86.04	388.23	8.70	-77.34
O=C([O-])C1=CSC(C2CCCN2C(=O)C[NH+]2CCC(CO)CC2)=N1	REAL300003396883	1	47	0.0	-85.14	377.52	4.94	-80.20
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C1	REAL300003397048	0	49	0.0	-84.79	382.99	8.47	-76.32
CC(C)[N@H+]1CCCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C1	REAL300003397048	1	49	0.0	-84.06	378.62	8.28	-75.78
C[N@@H+]1CC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C(C(F)(F)F)C1	REAL300003397049	0	43	0.0	-99.44	365.60	7.34	-92.10
C[N@H+]1CC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C(C(F)(F)F)C1	REAL300003397049	1	43	0.0	-99.38	365.62	7.35	-92.03
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)N1	REAL300003397070	1	44	0.0	-80.79	374.33	7.09	-73.70
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)=C1	REAL300003397447	0	49	0.0	-89.27	400.84	9.70	-79.57
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C=C1	REAL300003397453	0	50	0.0	-97.80	408.72	8.64	-89.16
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C1	REAL300003397567	0	43	0.0	-87.29	353.22	7.48	-79.81
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)CC1	REAL300003397571	0	49	0.0	-77.74	368.99	8.06	-69.68
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC3C3=NC(C(=O)[O-])=CS3)=CN21	REAL300003397575	0	41	0.0	-55.20	344.76	8.74	-46.46
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C1	REAL300003397624	0	52	0.0	-84.97	405.45	9.37	-75.60
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C1	REAL300003397624	1	52	0.0	-83.22	396.25	9.54	-73.68
CC[N@@H+]1CCCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C1	REAL300003397625	0	46	0.0	-76.29	353.46	7.86	-68.43
CC[N@H+]1CCCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C1	REAL300003397625	1	46	0.0	-84.86	361.92	7.76	-77.10
C[N@@H+]1CCCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C1	REAL300003397630	0	43	0.0	-75.47	335.89	7.22	-68.25
C[N@H+]1CCCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)C1	REAL300003397630	1	43	0.0	-86.82	344.29	7.11	-79.71
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C2=NC(C(=O)[O-])=CS2)O1	REAL300003397632	1	43	0.0	-97.97	365.67	7.67	-90.30
O=C([O-])C1=CSC(C2CCCN2C(=O)C23CC(C2)C[N@@H+]3C2CC2)=N1	REAL300003397640	1	45	0.0	-86.91	364.49	8.37	-78.54
O=C([O-])C1=CSC(C2CCCN2C(=O)C23CC(C2)C[N@H+]3C2CC2)=N1	REAL300003397640	1	45	0.0	-90.43	350.60	8.44	-81.99
O=C([O-])C1=CSC(C2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CC2)=N1	REAL300003398797	0	53	0.0	-77.97	415.13	10.38	-67.59
O=C([O-])C1=CSC(C2CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CC2)=N1	REAL300003398797	1	53	0.0	-79.25	418.76	10.75	-68.50
O=C([O-])C1=CSC(C2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)=N1	REAL300003399451	0	50	0.0	-81.94	392.11	9.26	-72.68
O=C([O-])C1=CSC(C2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2)=N1	REAL300003399475	0	47	0.0	-79.18	370.52	8.22	-70.96
O=C([O-])C1=CSC(C2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2)=N1	REAL300003399475	1	47	0.0	-75.94	367.06	8.43	-67.51
CC1=[NH+]C=C2CCC(C(=O)N3CCC(C4=NC(C(=O)[O-])=CS4)CC3)CN21	REAL300003399481	1	48	0.0	-75.50	387.04	8.91	-66.59
C[N@@H+]1CCCCC1C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003399548	0	46	0.0	-77.19	359.21	7.86	-69.33
C[N@H+]1CCCCC1C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003399548	1	46	0.0	-78.97	348.16	7.32	-71.65
CC(C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1)N1CC[NH+](C)CC1	REAL300003399549	1	51	0.0	-81.50	394.48	6.19	-75.31
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003399584	0	46	0.0	-77.00	358.59	7.83	-69.17
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003399584	1	46	0.0	-78.98	348.15	7.32	-71.66
C[NH+]1CCC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300003399648	0	46	0.0	-84.70	362.77	7.85	-76.85
O=C([O-])C1=CSC(C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)=N1	REAL300003399678	0	41	0.0	-82.32	353.35	9.63	-72.69
C[NH+](C)CC1(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)CCCCC1	REAL300003399707	0	55	0.0	-82.63	393.85	9.72	-72.91
C[N@H+](CCC(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1)C1CCCCC1	REAL300003399712	0	55	0.0	-83.94	417.27	9.91	-74.03
C[N@@H+](CCC(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1)C1CCCCC1	REAL300003399712	1	55	0.0	-83.97	417.28	9.94	-74.03
C[N@@H+]1CCCC1C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003399726	0	43	0.0	-77.30	341.26	7.08	-70.22
C[N@H+]1CCCC1C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003399726	1	43	0.0	-78.17	340.45	7.10	-71.07
C[NH+]1CCC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300003399777	0	46	0.0	-84.70	362.77	7.85	-76.85
O=C([O-])C1=CSC(C2CCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CC2)=N1	REAL300003399791	0	56	0.0	-76.10	411.52	10.01	-66.09
O=C([O-])C1=CSC(C2CCN(C(=O)C3CCCC[N@H+]3C3CCCC3)CC2)=N1	REAL300003399791	1	56	0.0	-75.91	411.24	10.01	-65.90
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CCN1CC[NH+](CCC(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300003400503	1	54	0.0	-84.22	417.47	6.99	-77.23
CC(C)[N@H+](C)CC(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003400504	0	45	0.0	-79.24	353.28	7.48	-71.76
CC(C)[N@@H+](C)CC(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003400504	1	45	0.0	-79.24	353.27	7.49	-71.75
CC(C)C(C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1)[NH+]1CCCCC1	REAL300003400505	0	55	0.0	-77.08	403.23	9.69	-67.39
C[NH+](C)C(C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1)C1=CC=CC=C1	REAL300003400506	1	49	0.0	-77.20	390.01	9.53	-67.67
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003400513	1	50	0.0	-75.60	404.28	9.49	-66.11
O=C([O-])C1=CSC(C2CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC2)=N1	REAL300003400519	0	53	0.0	-79.06	389.56	9.54	-69.52
O=C([O-])C1=CSC(C2CCN(C(=O)C3CCC[N@H+]3C3CCCC3)CC2)=N1	REAL300003400519	1	53	0.0	-76.83	402.55	9.54	-67.29
CC[N@H+](CC(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1)C1CC1	REAL300003400521	0	46	0.0	-78.01	367.98	8.33	-69.68
CC[N@@H+](CC(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1)C1CC1	REAL300003400521	1	46	0.0	-79.05	362.14	8.02	-71.03
CC(C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1)[NH+]1CCCCCC1	REAL300003400542	0	52	0.0	-76.89	386.58	8.73	-68.16
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003400545	0	43	0.0	-77.89	343.52	7.13	-70.76
C[N@H+]1CCC[C@H]1C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003400545	1	43	0.0	-80.42	337.52	6.81	-73.61
CC(C)(C)[NH2+]CC(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003400608	0	45	0.0	-80.84	357.81	6.01	-74.83
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)O1	REAL300003400609	0	52	0.0	-82.07	414.95	9.41	-72.66
O=C([O-])C1=CSC(C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)=N1	REAL300003400610	0	52	0.0	-82.00	409.45	9.59	-72.41
C[N@H+](CC(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1)CC1=CC=CC=C1	REAL300003400612	1	49	0.0	-86.23	395.52	9.87	-76.36
C[N@@H+](CC(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1)CC1=CC=CC=C1	REAL300003400612	1	49	0.0	-86.21	395.56	9.88	-76.33
CC(C)[C@@H](C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1)[NH+](C)C	REAL300003400620	0	48	0.0	-79.14	358.81	7.90	-71.24
O=C([O-])C1=CSC(C2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC2)=N1	REAL300003400638	1	44	0.0	-86.28	375.23	7.40	-78.88
C[NH+](C)CC1=CC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)=NO1	REAL300003400656	1	45	0.0	-87.62	374.81	7.60	-80.02
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003400669	0	49	0.0	-77.90	365.66	8.47	-69.43
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003400669	1	49	0.0	-76.22	374.24	8.19	-68.03
C[NH+]1CCC(OCC(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300003400688	0	50	0.0	-86.30	398.76	8.46	-77.84
CCC[N@@H+]1CCCC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003400832	0	52	0.0	-81.28	402.06	9.21	-72.07
CCC[N@H+]1CCCC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003400832	1	52	0.0	-78.05	394.17	9.37	-68.68
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003400855	0	52	0.0	-77.36	399.94	9.29	-68.07
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C2=NC(C(=O)[O-])=CS2)CC1	REAL300003400855	1	52	0.0	-77.73	399.90	9.28	-68.45
O=C([O-])C1=CSC(C2CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)=N1	REAL300003400856	0	50	0.0	-83.30	392.25	5.46	-77.84
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003401040	0	52	0.0	-73.98	387.96	9.09	-64.89
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003401040	1	52	0.0	-79.49	386.43	8.83	-70.66
C[N@@H+]1CC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C(C(F)(F)F)C1	REAL300003401041	0	46	0.0	-91.11	366.06	8.16	-82.95
C[N@H+]1CC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C(C(F)(F)F)C1	REAL300003401041	1	46	0.0	-86.81	367.42	7.51	-79.30
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)N1	REAL300003401064	1	47	0.0	-76.53	390.04	7.65	-68.88
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)=C1	REAL300003401453	0	52	0.0	-84.32	419.94	10.31	-74.01
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003401576	0	46	0.0	-81.82	367.97	8.03	-73.79
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300003401580	0	52	0.0	-76.71	387.64	8.73	-67.98
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C4=NC(C(=O)[O-])=CS4)CC3)=CN21	REAL300003401583	0	44	0.0	-77.83	375.00	9.42	-68.41
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003401635	0	55	0.0	-80.41	411.11	9.93	-70.48
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003401635	1	55	0.0	-80.53	419.39	9.89	-70.64
CC[N@@H+]1CCCC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003401636	0	49	0.0	-74.73	371.54	8.55	-66.18
CC[N@H+]1CCCC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003401636	1	49	0.0	-80.70	380.44	8.48	-72.22
C[N@@H+]1CCCC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003401641	0	46	0.0	-82.61	361.95	7.76	-74.85
C[N@H+]1CCCC(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003401641	1	46	0.0	-82.57	361.91	7.75	-74.82
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)O1	REAL300003401643	1	46	0.0	-85.55	380.33	8.04	-77.51
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003401649	0	55	0.0	-87.92	401.87	8.76	-79.16
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003401649	1	55	0.0	-82.68	399.22	8.86	-73.82
O=C([O-])C1=CSC(C2CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC2)=N1	REAL300003401652	1	48	0.0	-77.49	369.56	9.06	-68.43
CCCC1(C(=O)[O-])CCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003402742	0	56	0.0	-80.54	404.84	12.61	-67.93
CCCC1(C(=O)[O-])CCCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300003404077	0	50	0.0	-77.00	353.23	10.24	-66.76
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC2=C[NH+]=C(C)N2C1	REAL300003404100	1	48	0.0	-69.16	357.50	10.36	-58.80
CCCC1(C(=O)[O-])CCCN1C(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1	REAL300003404161	1	55	0.0	-80.12	412.26	10.37	-69.75
CCCC1(C(=O)[O-])CCCN1C(=O)C(C)N1CC[NH+](C)CC1	REAL300003404162	1	51	0.0	-71.70	363.07	7.53	-64.17
CCCC1(C(=O)[O-])CCCN1C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003404233	0	59	0.0	-83.57	440.94	12.29	-71.28
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300003404238	0	59	0.0	-84.84	438.06	14.95	-69.89
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300003404238	1	59	0.0	-86.90	438.02	14.95	-71.95
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300003404290	0	41	0.0	-78.28	313.08	11.39	-66.89
CCCC1(C(=O)[O-])CCCN1C(=O)C1(C[NH+](C)C)CCCCC1	REAL300003404315	0	55	0.0	-58.05	351.68	10.36	-47.69
CCCC1(C(=O)[O-])CCCN1C(=O)CC[N@H+](C)C1CCCCC1	REAL300003404318	0	55	0.0	-70.13	385.25	11.16	-58.97
CCCC1(C(=O)[O-])CCCN1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300003404318	1	55	0.0	-69.22	385.25	11.16	-58.06
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003404379	0	49	0.0	-90.01	366.75	9.65	-80.36
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003404395	0	57	0.0	-73.13	389.02	9.41	-63.72
CCCC1(C(=O)[O-])CCCN1C(=O)CCCN1C=C[NH+]=C1C	REAL300003404423	1	47	0.0	-69.63	357.84	10.45	-59.18
CCCC1(C(=O)[O-])CCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300003404424	1	53	0.0	-78.03	385.15	9.15	-68.88
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1	REAL300003404425	0	58	0.0	-50.87	394.74	11.36	-39.51
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1	REAL300003404425	1	58	0.0	-53.64	394.54	11.30	-42.34
CCCC1(C(=O)[O-])CCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003404443	0	53	0.0	-69.93	388.01	11.86	-58.07
CCCC1(C(=O)[O-])CCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003404443	1	53	0.0	-69.00	388.31	11.94	-57.06
CCCC1(C(=O)[O-])CCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003404444	0	54	0.0	-83.37	387.56	11.28	-72.09
CCCC1(C(=O)[O-])CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003404472	0	57	0.0	-69.94	384.88	9.36	-60.58
CCCC1(C(=O)[O-])CCCN1C(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300003404477	0	52	0.0	-60.67	381.69	11.59	-49.08
CCCC1(C(=O)[O-])CCCN1C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300003404477	1	52	0.0	-66.34	381.20	11.60	-54.74
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003404485	0	59	0.0	-77.26	421.75	13.46	-63.80
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003404485	1	59	0.0	-59.44	422.18	13.77	-45.67
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300003404501	0	48	0.0	-61.12	350.33	8.14	-52.98
CCC[NH+](CCC)CCCC(=O)N1CCCC1(CCC)C(=O)[O-]	REAL300003404508	0	57	0.0	-71.97	409.43	11.76	-60.21
CCCC1(C(=O)[O-])CCCN1C(=O)CN1C=C[NH+]=C1C(C)C	REAL300003404515	1	47	0.0	-60.21	353.81	10.36	-49.85
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003404528	0	53	0.0	-89.41	382.25	11.70	-77.71
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003404533	0	56	0.0	-83.11	402.92	13.21	-69.90
CCCC1(C(=O)[O-])CCCN1C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1	REAL300003404539	0	64	0.0	-77.96	434.64	10.10	-67.86
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300003404546	1	60	0.0	-91.96	432.32	11.43	-80.53
CCCC1(C(=O)[O-])CCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003404557	1	57	0.0	-83.61	414.43	11.87	-71.74
CCCC1(C(=O)[O-])CCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003404557	1	57	0.0	-82.50	422.50	12.02	-70.48
CCCC1(C(=O)[O-])CCCN1C(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1	REAL300003404573	1	47	0.0	-84.41	354.79	8.98	-75.43
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003404576	0	56	0.0	-56.64	396.31	11.80	-44.84
CCCC1(C(=O)[O-])CCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003404587	1	49	0.0	-83.91	371.29	10.69	-73.22
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300003404588	0	52	0.0	-93.05	379.93	11.39	-81.66
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C)[NH+]=C1NC	REAL300003404593	1	45	0.0	-60.88	336.68	8.08	-52.80
CCCC1(C(=O)[O-])CCCN1C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003404604	0	62	0.0	-62.80	443.65	13.95	-48.85
CCCC1(C(=O)[O-])CCCN1C(=O)C(C)[NH+]1CCSCC1	REAL300003404633	1	47	0.0	-60.75	343.25	9.52	-51.23
CCCC1(C(=O)[O-])CCCN1C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300003404640	0	52	0.0	-63.70	387.28	12.02	-51.68
CCCC1(C(=O)[O-])CCCN1C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300003404640	1	52	0.0	-63.84	387.29	12.01	-51.83
CCCC1(C(=O)[O-])CCCN1C(=O)CC[N@H+](C)CCOCCOC	REAL300003404641	0	56	0.0	-72.08	415.02	8.19	-63.89
CCCC1(C(=O)[O-])CCCN1C(=O)CC[N@@H+](C)CCOCCOC	REAL300003404641	1	56	0.0	-68.51	415.04	8.16	-60.35
CCCC1(C(=O)[O-])CCCN1C(=O)CC1(O)CCC[N@H+](C)C1	REAL300003404644	0	50	0.0	-70.87	344.62	7.51	-63.36
CCCC1(C(=O)[O-])CCCN1C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300003404644	1	50	0.0	-59.44	348.51	7.44	-52.00
CCCC1(C(=O)[O-])CCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003404651	0	61	0.0	-76.31	441.19	11.69	-64.62
CCCCCC[N@H+](C)CC(=O)N1CCCC1(CCC)C(=O)[O-]	REAL300003404653	0	54	0.0	-62.58	391.88	11.33	-51.25
CCCCCC[N@@H+](C)CC(=O)N1CCCC1(CCC)C(=O)[O-]	REAL300003404653	1	54	0.0	-62.43	391.88	11.33	-51.10
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300003404663	1	41	0.0	-86.28	313.33	11.40	-74.88
CCCC1(C(=O)[O-])CCCN1C(=O)C[N@H+](C)C1CCSC1	REAL300003404679	0	47	0.0	-64.99	347.43	9.82	-55.17
CCCC1(C(=O)[O-])CCCN1C(=O)C[N@@H+](C)C1CCSC1	REAL300003404679	1	47	0.0	-67.36	346.39	9.69	-57.67
CCCC1(C(=O)[O-])CCCN1C(=O)CCN1CC[NH+](C(C)C)CC1	REAL300003404692	0	57	0.0	-77.63	398.40	8.47	-69.16
CCCC1(C(=O)[O-])CCCN1C(=O)CC[NH+]1CCN(C(C)C)CC1	REAL300003404692	1	57	0.0	-68.07	398.55	8.52	-59.55
CCCC1(C(=O)[O-])CCCN1C(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300003404693	0	60	0.0	-73.60	423.69	9.54	-64.06
CCCC1(C(=O)[O-])CCCN1C(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300003404693	1	60	0.0	-72.72	420.06	9.32	-63.40
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300003404694	0	50	0.0	-62.29	338.07	9.50	-52.79
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300003404694	1	50	0.0	-65.73	344.30	9.77	-55.96
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300003404696	0	49	0.0	-86.18	366.86	9.38	-76.80
CCCC1(C(=O)[O-])CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1	REAL300003404699	0	61	0.0	-72.43	441.09	11.55	-60.88
CCCC1(C(=O)[O-])CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003404701	0	58	0.0	-72.04	419.67	10.90	-61.14
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003404703	0	55	0.0	-66.09	392.37	10.86	-55.23
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003404703	1	55	0.0	-64.61	393.60	10.80	-53.81
CCCC1(C(=O)[O-])CCCN1C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003404708	1	53	0.0	-61.07	378.03	11.67	-49.40
CCCC1(C(=O)[O-])CCCN1C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300003404708	1	53	0.0	-60.33	377.89	11.54	-48.79
CCCC1(C(=O)[O-])CCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003404731	0	56	0.0	-77.23	413.31	12.87	-64.36
CCCC1(C(=O)[O-])CCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003404731	1	56	0.0	-77.69	413.74	12.87	-64.82
CCCC1(C(=O)[O-])CCCN1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300003404744	0	49	0.0	-99.05	372.52	10.12	-88.93
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300003404745	0	49	0.0	-57.31	362.44	8.74	-48.57
CCCC1(C(=O)[O-])CCCN1C(=O)CC(C)N1C=C[NH+]=C1CC	REAL300003404746	1	50	0.0	-65.26	372.82	10.69	-54.57
CCCC1(C(=O)[O-])CCCN1C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300003404750	1	50	0.0	-82.08	368.80	9.26	-72.82
CCCC1(C(=O)[O-])CCCN1C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300003404750	1	50	0.0	-86.99	370.34	9.64	-77.35
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003404759	0	56	0.0	-65.79	403.86	12.68	-53.11
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003404759	1	56	0.0	-63.46	405.12	12.72	-50.74
CCCC1(C(=O)[O-])CCCN1C(=O)C(C)C[NH+]1CCOCC1	REAL300003404763	1	50	0.0	-70.41	353.83	7.97	-62.44
CCCC1(C(=O)[O-])CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003404764	0	57	0.0	-71.74	417.44	10.30	-61.44
CCCC1(C(=O)[O-])CCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003404808	0	56	0.0	-70.17	387.02	11.24	-58.93
CCCC1(C(=O)[O-])CCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003404808	1	56	0.0	-70.45	389.56	11.32	-59.13
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300003404824	0	50	0.0	-58.83	353.54	10.45	-48.38
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300003404824	1	50	0.0	-58.69	354.15	10.47	-48.22
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300003404838	0	58	0.0	-84.73	420.02	10.78	-73.95
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300003404839	0	58	0.0	-87.73	416.05	9.99	-77.74
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300003404839	1	58	0.0	-90.46	415.53	9.85	-80.61
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1	REAL300003404840	0	59	0.0	-88.65	418.57	11.41	-77.24
CCCC1(C(=O)[O-])CCCN1C(=O)C1CC[NH+](C(C)C)CC1	REAL300003404847	0	52	0.0	-76.82	362.65	10.23	-66.59
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003404936	0	60	0.0	-91.98	430.68	9.72	-82.26
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300003404940	0	49	0.0	-81.91	361.35	11.36	-70.55
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003404941	0	56	0.0	-72.52	409.43	12.81	-59.71
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003404941	1	56	0.0	-67.12	404.89	12.56	-54.56
C#CC[NH+]1CCC(C(=O)N2CCCC2(CCC)C(=O)[O-])CC1	REAL300003404988	0	48	0.0	-78.99	353.01	10.19	-68.80
CCCC1(C(=O)[O-])CCCN1C(=O)CCN1CC[NH+](CC)CC1	REAL300003404991	0	54	0.0	-77.99	386.26	8.30	-69.69
CCCC1(C(=O)[O-])CCCN1C(=O)CC[NH+]1CCN(CC)CC1	REAL300003404991	1	54	0.0	-68.22	385.48	8.21	-60.01
CCCC1(C(=O)[O-])CCCN1C(=O)CCN1C=C[NH+]=C1C(C)C	REAL300003404998	1	50	0.0	-64.22	372.25	10.72	-53.50
CCCC1(C(=O)[O-])CCCN1C(=O)C(C)[NH+]1CCCCCC1	REAL300003405026	0	52	0.0	-58.80	351.58	10.09	-48.71
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300003405057	1	54	0.0	-68.78	390.26	10.31	-58.47
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300003405057	1	54	0.0	-85.44	392.49	10.98	-74.46
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+](CC)CC)O1	REAL300003405101	0	52	0.0	-84.71	384.63	11.56	-73.15
CCCC1(C(=O)[O-])CCCN1C(=O)CCCC[NH+]1CCCC1	REAL300003405102	0	52	0.0	-75.34	378.20	10.87	-64.47
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300003405104	1	55	0.0	-74.96	401.15	10.31	-64.65
CCCC1(C(=O)[O-])CCCN1C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300003405105	1	49	0.0	-65.14	364.83	11.15	-53.99
CCCC1(C(=O)[O-])CCCN1C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300003405105	1	49	0.0	-65.16	364.81	11.17	-53.99
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300003405109	0	61	0.0	-89.59	425.46	10.93	-78.66
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003405121	1	44	0.0	-84.87	341.84	9.33	-75.54
CCCC1(C(=O)[O-])CCCN1C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300003405143	1	45	0.0	-85.89	345.98	9.56	-76.33
CCCC1(C(=O)[O-])CCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300003405148	0	56	0.0	-71.54	409.81	12.53	-59.01
CCCC1(C(=O)[O-])CCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300003405148	1	56	0.0	-69.69	401.93	12.41	-57.28
CCCC1(C(=O)[O-])CCCN1C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003405171	0	57	0.0	-92.76	428.97	12.60	-80.16
CCCC1(C(=O)[O-])CCCN1C(=O)COC1CC[NH+](C)CC1	REAL300003405183	0	50	0.0	-86.36	367.84	10.15	-76.21
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003405189	0	53	0.0	-89.07	393.98	12.11	-76.96
CCC[N@@H+]1CCCC(C(=O)N2CCCC2(CCC)C(=O)[O-])C1	REAL300003405327	0	52	0.0	-58.08	362.21	10.72	-47.36
CCC[N@H+]1CCCC(C(=O)N2CCCC2(CCC)C(=O)[O-])C1	REAL300003405327	1	52	0.0	-60.59	361.35	10.49	-50.10
CCCC1(C(=O)[O-])CCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300003405356	0	50	0.0	-62.46	360.31	6.63	-55.83
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](C(C)C)C1	REAL300003405526	0	52	0.0	-54.70	355.28	10.21	-44.49
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](C(C)C)C1	REAL300003405526	1	52	0.0	-55.12	353.45	10.07	-45.05
CCCC1(C(=O)[O-])CCCN1C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300003405527	0	46	0.0	-79.02	329.81	8.79	-70.23
CCCC1(C(=O)[O-])CCCN1C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300003405527	1	46	0.0	-84.99	349.66	9.24	-75.75
CCCC1(C(=O)[O-])CCCN1C(=O)CCC1=[NH+]C(C)=C(C)N1	REAL300003405550	1	47	0.0	-64.45	357.12	8.83	-55.62
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300003405932	0	52	0.0	-84.83	383.84	12.18	-72.65
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300003405939	0	53	0.0	-90.71	387.21	10.35	-80.36
CCCC1(C(=O)[O-])CCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003406022	0	59	0.0	-75.16	426.63	13.43	-61.73
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300003406024	1	57	0.0	-92.48	408.70	11.53	-80.95
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300003406024	1	57	0.0	-91.80	404.66	10.75	-81.05
CCCC1(C(=O)[O-])CCCN1C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300003406050	0	52	0.0	-55.78	352.40	9.77	-46.01
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CN2C(=C[NH+]=C2C)C=C1	REAL300003406055	0	44	0.0	-74.61	334.49	11.16	-63.45
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@H+](CC(C)C)C1	REAL300003406103	0	55	0.0	-69.61	388.50	11.08	-58.53
CCCC1(C(=O)[O-])CCCN1C(=O)C1CCC[N@@H+](CC(C)C)C1	REAL300003406103	1	55	0.0	-70.51	383.88	10.96	-59.55
CCCC1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300003406109	1	46	0.0	-87.68	348.14	10.09	-77.59
CCCC1(C(=O)[O-])CCCN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003406117	0	48	0.0	-67.18	342.09	10.13	-57.05
CCCC1(C(=O)[O-])CCCN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300003406117	1	48	0.0	-66.40	348.63	10.36	-56.04
O=C([O-])CC1(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCOCC1	REAL300003407340	0	57	0.0	-71.03	411.49	9.12	-61.91
O=C([O-])CC1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CCOCC1	REAL300003408030	0	54	0.0	-57.17	393.16	8.44	-48.73
O=C([O-])CC1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CCOCC1	REAL300003408030	1	54	0.0	-54.79	394.41	8.53	-46.26
O=C([O-])CC1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCOCC1	REAL300003408952	0	51	0.0	-63.14	359.81	6.76	-56.38
O=C([O-])CC1(CNC(=O)C2CCC[N@@H+]2C2CC2)CCOCC1	REAL300003408981	0	48	0.0	-56.52	342.68	5.83	-50.69
O=C([O-])CC1(CNC(=O)C2CCC[N@H+]2C2CC2)CCOCC1	REAL300003408981	1	48	0.0	-60.61	340.63	5.72	-54.89
CC1=[NH+]C=C2CCC(C(=O)NCC3(CC(=O)[O-])CCOCC3)CN21	REAL300003408987	1	49	0.0	-58.77	358.05	6.63	-52.14
O=C([O-])CC1(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CCOCC1	REAL300003408988	0	57	0.0	-65.65	403.61	8.64	-57.01
CC1=NC(C[NH+]2CCC(C(=O)NCC3(CC(=O)[O-])CCOCC3)CC2)=CS1	REAL300003409066	1	56	0.0	-66.68	418.56	7.14	-59.54
CC(C(=O)NCC1(CC(=O)[O-])CCOCC1)N1CC[NH+](C)CC1	REAL300003409067	1	52	0.0	-66.06	361.33	3.70	-62.36
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2(CC(=O)[O-])CCOCC2)C=C1	REAL300003409153	0	60	0.0	-73.57	444.21	8.67	-64.90
CC1(C(=O)NCC2(CC(=O)[O-])CCOCC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003409165	0	60	0.0	-56.42	423.87	9.47	-46.95
O=C([O-])CC1(CNC(=O)C2=CN3C=[NH+]C=C3C=C2)CCOCC1	REAL300003409223	0	42	0.0	-67.51	320.49	7.39	-60.12
C[NH+](C)CC1(C(=O)NCC2(CC(=O)[O-])CCOCC2)CCCCC1	REAL300003409256	0	56	0.0	-65.22	359.97	8.21	-57.01
C[N@H+](CCC(=O)NCC1(CC(=O)[O-])CCOCC1)C1CCCCC1	REAL300003409261	0	56	0.0	-63.44	388.80	7.47	-55.97
C[N@@H+](CCC(=O)NCC1(CC(=O)[O-])CCOCC1)C1CCCCC1	REAL300003409261	1	56	0.0	-62.65	388.81	7.46	-55.19
O=C([O-])CC1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CCOCC1	REAL300003409280	1	57	0.0	-62.42	406.06	8.94	-53.48
O=C([O-])CC1(CNC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CCOCC1	REAL300003409280	1	57	0.0	-61.81	406.07	8.94	-52.87
O=C([O-])CC1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CCOCC1	REAL300003409281	1	54	0.0	-56.63	394.29	8.09	-48.54
O=C([O-])CC1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CCOCC1	REAL300003409281	1	54	0.0	-58.08	400.82	8.60	-49.48
O=C([O-])CC1(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCOCC1	REAL300003409336	0	50	0.0	-75.39	378.58	6.50	-68.89
O=C([O-])CC1(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)CCOCC1	REAL300003409360	0	57	0.0	-53.40	387.06	7.63	-45.77
O=C([O-])CC1(CNC(=O)C2CCCC[N@H+]2C2CCCC2)CCOCC1	REAL300003409360	1	57	0.0	-55.86	383.02	7.82	-48.04
O=C([O-])CC1(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)CCOCC1	REAL300003409361	0	58	0.0	-52.49	395.58	6.01	-46.48
CC1=[NH+]C=CN1CCCC(=O)NCC1(CC(=O)[O-])CCOCC1	REAL300003409391	1	48	0.0	-61.78	361.36	6.79	-54.99
O=C([O-])CC1(CNC(=O)CCCC[NH+]2CCOCC2)CCOCC1	REAL300003409392	1	54	0.0	-69.81	388.70	5.48	-64.33
CC[N@H+](CC1=CC=C(C(=O)NCC2(CC(=O)[O-])CCOCC2)C=C1)C(C)C	REAL300003409394	0	59	0.0	-71.36	413.68	8.85	-62.51
CC[N@@H+](CC1=CC=C(C(=O)NCC2(CC(=O)[O-])CCOCC2)C=C1)C(C)C	REAL300003409394	1	59	0.0	-73.68	407.87	8.59	-65.09
O=C([O-])CC1(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300003409429	0	54	0.0	-63.04	395.37	8.37	-54.67
O=C([O-])CC1(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300003409429	1	54	0.0	-62.10	395.43	8.40	-53.70
O=C([O-])CC1(CNC(=O)C2CC[NH+](C3CCSC3)CC2)CCOCC1	REAL300003409430	0	55	0.0	-73.88	394.21	7.78	-66.10
C[NH+]1CCN(C(C(=O)NCC2(CC(=O)[O-])CCOCC2)C2=CC=CC=C2)CC1	REAL300003409458	1	59	0.0	-60.06	426.90	7.07	-52.99
O=C([O-])CC1(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)CCOCC1	REAL300003409459	0	58	0.0	-63.58	387.17	5.74	-57.84
CCC(C(=O)NCC1(CC(=O)[O-])CCOCC1)[NH+](CC)CC	REAL300003409463	0	52	0.0	-50.73	357.24	6.18	-44.55
CC(C(=O)NCC1(CC(=O)[O-])CCOCC1)[N@H+](C)CC1=CC=CC=C1	REAL300003409465	0	53	0.0	-57.52	385.39	7.87	-49.65
CC(C(=O)NCC1(CC(=O)[O-])CCOCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300003409465	1	53	0.0	-62.26	385.06	7.90	-54.36
O=C([O-])CC1(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCOCC1	REAL300003409475	0	60	0.0	-55.41	427.82	10.14	-45.27
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CC(C)C(C(=O)NCC1(CC(=O)[O-])CCOCC1)[NH+]1CCCCC1	REAL300003410197	0	56	0.0	-55.74	382.27	7.91	-47.83
C[NH+](C)C(C(=O)NCC1(CC(=O)[O-])CCOCC1)C1=CC=CC=C1	REAL300003410198	1	50	0.0	-58.59	365.04	7.38	-51.21
O=C([O-])CC1(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300003410202	0	55	0.0	-59.93	403.49	5.30	-54.63
O=C([O-])CC1(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CCOCC1	REAL300003410202	1	55	0.0	-62.62	403.67	5.36	-57.26
CC(C)C1=[NH+]C=CN1CCC(=O)NCC1(CC(=O)[O-])CCOCC1	REAL300003410208	1	51	0.0	-57.32	375.85	7.04	-50.28
C[NH+](C)CC1=C(C(=O)NCC2(CC(=O)[O-])CCOCC2)OC2=CC=CC=C21	REAL300003410209	0	53	0.0	-59.35	389.68	7.71	-51.64
O=C([O-])CC1(CNC(=O)C2CCC[N@@H+]2C2CCCC2)CCOCC1	REAL300003410214	0	54	0.0	-54.78	364.95	7.18	-47.60
O=C([O-])CC1(CNC(=O)C2CCC[N@H+]2C2CCCC2)CCOCC1	REAL300003410214	1	54	0.0	-56.80	375.23	7.34	-49.46
CC(C)C(C(=O)NCC1(CC(=O)[O-])CCOCC1)[NH+]1CC(C)OC(C)C1	REAL300003410244	1	60	0.0	-55.56	409.23	6.96	-48.60
CC(C(=O)NCC1(CC(=O)[O-])CCOCC1)[NH+]1CCCCCC1	REAL300003410245	0	53	0.0	-55.90	359.27	6.34	-49.56
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3(CC(=O)[O-])CCOCC3)=CC=C1N2	REAL300003410283	1	55	0.0	-76.41	403.12	7.84	-68.57
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NCC3(CC(=O)[O-])CCOCC3)=CC=C1N2	REAL300003410283	1	55	0.0	-76.23	403.28	7.80	-68.43
CC[NH+](CC)CC1=CC=C(C(=O)NCC2(CC(=O)[O-])CCOCC2)O1	REAL300003410336	0	53	0.0	-70.42	386.07	6.82	-63.60
O=C([O-])CC1(CNC(=O)CCCC[NH+]2CCCC2)CCOCC1	REAL300003410337	0	53	0.0	-66.67	381.71	7.20	-59.47
CC1=CC=C(N2CCC(C(=O)NCC3(CC(=O)[O-])CCOCC3)CC2)[NH+]=C1	REAL300003410339	1	56	0.0	-65.66	404.47	6.97	-58.69
C[N@H+](CC(=O)NCC1(CC(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300003410340	1	50	0.0	-60.99	367.09	7.48	-53.51
C[N@@H+](CC(=O)NCC1(CC(=O)[O-])CCOCC1)CC1=CC=CC=C1	REAL300003410340	1	50	0.0	-61.43	367.10	7.47	-53.96
CC(C)[C@@H](C(=O)NCC1(CC(=O)[O-])CCOCC1)[NH+](C)C	REAL300003410351	0	49	0.0	-53.67	335.73	5.85	-47.82
O=C([O-])CC1(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCOCC1	REAL300003410364	1	45	0.0	-74.16	349.80	5.33	-68.83
C[NH+](C)CC1=CC(C(=O)NCC2(CC(=O)[O-])CCOCC2)=NO1	REAL300003410395	1	46	0.0	-75.42	348.49	4.86	-70.56
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1(CC(=O)[O-])CCOCC1	REAL300003410399	0	57	0.0	-66.52	411.82	8.98	-57.54
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1(CC(=O)[O-])CCOCC1	REAL300003410399	1	57	0.0	-65.81	412.22	8.93	-56.88
CC(C)[N@@H+]1CCCC1C(=O)NCC1(CC(=O)[O-])CCOCC1	REAL300003410416	0	50	0.0	-54.21	348.42	5.95	-48.26
CC(C)[N@H+]1CCCC1C(=O)NCC1(CC(=O)[O-])CCOCC1	REAL300003410416	1	50	0.0	-55.41	349.22	6.02	-49.39
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2(CC(=O)[O-])CCOCC2)C=C1	REAL300003410423	0	58	0.0	-76.93	432.64	8.40	-68.53
C[NH+]1CCC(OCC(=O)NCC2(CC(=O)[O-])CCOCC2)CC1	REAL300003410443	0	51	0.0	-71.98	370.34	5.97	-66.01
O=C([O-])CC1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCOCC1	REAL300003410448	0	54	0.0	-71.15	395.37	7.50	-63.65
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2(CC(=O)[O-])CCOCC2)[C@@H](C(F)(F)F)C1	REAL300003410493	0	56	0.0	-71.18	404.06	7.11	-64.07
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2(CC(=O)[O-])CCOCC2)[C@@H](C(F)(F)F)C1	REAL300003410493	1	56	0.0	-52.06	402.82	7.20	-44.86
CCC[N@@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCOCC2)C1	REAL300003410643	0	53	0.0	-56.21	367.91	7.12	-49.09
CCC[N@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCOCC2)C1	REAL300003410643	1	53	0.0	-60.81	374.25	6.91	-53.90
CC(C)C[N@@H+]1CCCC1C(=O)NCC1(CC(=O)[O-])CCOCC1	REAL300003410676	0	53	0.0	-61.66	364.01	7.18	-54.48
CC(C)C[N@H+]1CCCC1C(=O)NCC1(CC(=O)[O-])CCOCC1	REAL300003410676	1	53	0.0	-56.82	369.10	6.56	-50.26
O=C([O-])CC1(CNC(=O)C[NH+]2CCC(CO)CC2)CCOCC1	REAL300003410677	1	51	0.0	-60.92	363.74	3.07	-57.85
O=C([O-])CC1(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CCOCC1	REAL300003410780	0	58	0.0	-70.68	419.67	9.35	-61.33
O=C([O-])CC1(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CCOCC1	REAL300003410780	1	58	0.0	-59.22	420.63	9.35	-49.87
O=C([O-])CC1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CCOCC1	REAL300003410822	1	57	0.0	-58.07	405.93	8.96	-49.11
O=C([O-])CC1(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CCOCC1	REAL300003410822	1	57	0.0	-64.29	405.93	8.97	-55.32
CC(C)[N@@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCOCC2)C1	REAL300003410915	0	53	0.0	-56.58	362.96	6.90	-49.68
CC(C)[N@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCOCC2)C1	REAL300003410915	1	53	0.0	-52.88	363.05	6.88	-46.00
C[N@@H+]1CC(C(=O)NCC2(CC(=O)[O-])CCOCC2)C(C(F)(F)F)C1	REAL300003410916	0	47	0.0	-62.76	354.23	5.64	-57.12
C[N@H+]1CC(C(=O)NCC2(CC(=O)[O-])CCOCC2)C(C(F)(F)F)C1	REAL300003410916	1	47	0.0	-57.80	347.42	5.46	-52.34
CC1=C(C)[NH+]=C(CCC(=O)NCC2(CC(=O)[O-])CCOCC2)N1	REAL300003410940	1	48	0.0	-57.75	360.63	5.17	-52.58
C[NH+](C)CCC1=CC=CC(C(=O)NCC2(CC(=O)[O-])CCOCC2)=C1	REAL300003411438	0	53	0.0	-73.04	390.96	8.22	-64.82
C[NH+](C)CCOC1=CC=C(C(=O)NCC2(CC(=O)[O-])CCOCC2)C=C1	REAL300003411446	0	54	0.0	-77.27	398.26	7.17	-70.10
O=C([O-])CC1(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CCOCC1	REAL300003411546	0	60	0.0	-63.05	430.20	9.82	-53.23
CC1CN(CC2=CC=C(C(=O)NCC3(CC(=O)[O-])CCOCC3)C=C2)CCO1	REAL300003411548	0	58	0.0	-76.86	415.83	7.56	-69.30
CC1C[N@H+](CC2=CC=C(C(=O)NCC3(CC(=O)[O-])CCOCC3)C=C2)CCO1	REAL300003411548	1	58	0.0	-76.92	415.89	7.56	-69.36
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3(CC(=O)[O-])CCOCC3)C=C2)CCO1	REAL300003411548	1	58	0.0	-76.92	415.89	7.56	-69.36
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2(CC(=O)[O-])CCOCC2)CC1	REAL300003411594	0	53	0.0	-52.45	362.67	6.60	-45.85
CC1=[NH+]C=C2C=CC(C(=O)NCC3(CC(=O)[O-])CCOCC3)=CN21	REAL300003411598	0	45	0.0	-61.19	341.92	7.17	-54.02
CC(C)C[N@@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCOCC2)C1	REAL300003411662	0	56	0.0	-56.64	385.36	7.81	-48.83
CC(C)C[N@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCOCC2)C1	REAL300003411662	1	56	0.0	-62.67	391.63	7.64	-55.03
CC[N@@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCOCC2)C1	REAL300003411663	0	50	0.0	-62.84	352.67	6.17	-56.67
CC[N@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCOCC2)C1	REAL300003411663	1	50	0.0	-56.81	346.29	6.37	-50.44
C[NH+](C)CC1=CC=C(C(=O)NCC2(CC(=O)[O-])CCOCC2)O1	REAL300003411669	1	47	0.0	-74.58	353.92	5.60	-68.98
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2(CC(=O)[O-])CCOCC2)C1	REAL300003411674	0	56	0.0	-68.71	380.49	7.01	-61.70
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2(CC(=O)[O-])CCOCC2)C1	REAL300003411674	1	56	0.0	-70.08	372.85	6.56	-63.52
O=C([O-])CC1(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)CCOCC1	REAL300003411677	1	49	0.0	-61.51	349.15	7.10	-54.41
O=C([O-])C(F)C1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300003412904	0	47	0.0	-76.00	366.75	9.98	-66.02
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300003413654	0	44	0.0	-63.35	351.00	9.63	-53.72
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300003413654	1	44	0.0	-50.65	346.96	9.07	-41.58
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300003414354	1	44	0.0	-67.39	368.66	10.10	-57.29
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300003414354	1	44	0.0	-62.95	362.69	9.63	-53.32
O=C([O-])C(F)C1CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300003414426	0	47	0.0	-63.50	359.98	9.44	-54.06
CC1=NC(C[NH+]2CCC(C(=O)N3CC(C(F)C(=O)[O-])C3)CC2)=CS1	REAL300003414486	1	46	0.0	-62.63	375.06	7.78	-54.85
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC(C(F)C(=O)[O-])C2)C=C1	REAL300003414538	0	50	0.0	-66.10	404.16	9.85	-56.25
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC(C(F)C(=O)[O-])C2)=C1	REAL300003414551	0	50	0.0	-76.08	398.71	11.56	-64.52
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC(C(F)C(=O)[O-])C2)=C1	REAL300003414551	1	50	0.0	-70.33	399.83	11.63	-58.70
CC1(C(=O)N2CC(C(F)C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003414552	0	50	0.0	-66.68	375.71	10.17	-56.51
O=C([O-])C(F)C1CN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003414590	0	47	0.0	-57.60	377.05	9.78	-47.82
O=C([O-])C(F)C1CN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003414590	1	47	0.0	-66.93	380.43	9.90	-57.03
C[N@H+](CCC(=O)N1CC(C(F)C(=O)[O-])C1)C1CCCCC1	REAL300003414622	0	46	0.0	-59.49	348.14	8.59	-50.90
C[N@@H+](CCC(=O)N1CC(C(F)C(=O)[O-])C1)C1CCCCC1	REAL300003414622	1	46	0.0	-69.62	347.33	8.58	-61.04
O=C([O-])C(F)C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300003414644	1	47	0.0	-54.05	374.73	10.19	-43.86
O=C([O-])C(F)C1CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300003414644	1	47	0.0	-56.36	361.42	9.82	-46.54
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300003414645	1	44	0.0	-68.32	358.34	9.65	-58.67
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300003414645	1	44	0.0	-63.76	352.36	9.17	-54.59
O=C([O-])C(F)C1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300003414690	0	40	0.0	-64.03	333.86	7.22	-56.81
C[NH+](C)CCN1N=CC(C(=O)N2CC(C(F)C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300003414695	0	50	0.0	-75.83	400.57	9.40	-66.43
O=C([O-])C(F)C1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300003414720	0	47	0.0	-59.99	337.39	8.60	-51.39
O=C([O-])C(F)C1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300003414720	1	47	0.0	-50.94	337.98	8.67	-42.27
O=C([O-])C(F)C1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300003414721	0	48	0.0	-58.14	352.12	6.95	-51.19
O=C([O-])C(F)C1CN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300003414746	1	44	0.0	-64.99	347.95	6.67	-58.32
CC[N@H+](CC1=CC=C(C(=O)N2CC(C(F)C(=O)[O-])C2)C=C1)C(C)C	REAL300003414747	0	49	0.0	-63.56	368.38	9.47	-54.09
CC[N@@H+](CC1=CC=C(C(=O)N2CC(C(F)C(=O)[O-])C2)C=C1)C(C)C	REAL300003414747	1	49	0.0	-65.42	363.35	9.42	-56.00
O=C([O-])C(F)C1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003414768	0	44	0.0	-70.53	352.19	9.35	-61.18
O=C([O-])C(F)C1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003414768	1	44	0.0	-69.00	352.59	9.37	-59.63
O=C([O-])C(F)C1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300003414769	0	45	0.0	-78.04	344.19	8.38	-69.66
C[NH+]1CCN(C(C(=O)N2CC(C(F)C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300003414789	1	49	0.0	-63.12	385.27	8.06	-55.06
O=C([O-])C(F)C1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300003414790	0	48	0.0	-59.89	346.46	6.85	-53.04
CC(C(=O)N1CC(C(F)C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300003414793	0	43	0.0	-65.72	343.36	9.01	-56.71
CC(C(=O)N1CC(C(F)C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003414793	1	43	0.0	-64.82	343.17	8.91	-55.91
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300003414802	0	50	0.0	-57.08	385.23	11.05	-46.03
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300003414802	1	50	0.0	-62.27	394.47	10.97	-51.30
CCC[NH+](CCC)CCCC(=O)N1CC(C(F)C(=O)[O-])C1	REAL300003414839	0	48	0.0	-60.04	372.65	9.32	-50.72
O=C([O-])C(F)C1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300003414840	1	48	0.0	-59.99	373.37	6.82	-53.17
CC[N@H+](C)C(C(=O)N1CC(C(F)C(=O)[O-])C1)C1=CC=CC=C1	REAL300003414841	0	43	0.0	-57.85	339.32	8.94	-48.91
CC[N@@H+](C)C(C(=O)N1CC(C(F)C(=O)[O-])C1)C1=CC=CC=C1	REAL300003414841	1	43	0.0	-50.83	338.28	8.98	-41.85
CC[NH+](CC)C(C(=O)N1CC(C(F)C(=O)[O-])C1)C1=CC=CC=C1	REAL300003414845	0	46	0.0	-51.22	351.20	9.24	-41.98
C[NH+](C)C(C(=O)N1CC(C(F)C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300003414848	1	40	0.0	-55.55	341.10	9.07	-46.48
O=C([O-])C(F)C1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300003414862	0	44	0.0	-66.89	348.27	9.25	-57.64
O=C([O-])C(F)C1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300003414869	0	47	0.0	-64.85	365.10	9.88	-54.97
CCN1CCC([NH+]2CCC(C(=O)N3CC(C(F)C(=O)[O-])C3)CC2)CC1	REAL300003414875	0	55	0.0	-72.80	397.36	7.54	-65.26
CC1C[NH+](CC2=CC=C(C(=O)N3CC(C(F)C(=O)[O-])C3)C=C2)CC(C)O1	REAL300003414880	1	51	0.0	-82.05	397.89	8.97	-73.08
O=C([O-])C(F)C1CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003414891	1	48	0.0	-76.38	371.75	8.97	-67.41
O=C([O-])C(F)C1CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003414891	1	48	0.0	-77.32	382.74	9.58	-67.74
O=C([O-])C(F)C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300003414904	0	47	0.0	-51.13	367.92	10.13	-41.00
O=C([O-])C(F)C1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300003414904	1	47	0.0	-51.47	355.42	9.75	-41.72
CC1=C(C(=O)N2CC(C(F)C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300003414906	1	38	0.0	-77.48	318.23	6.47	-71.01
O=C([O-])C(F)C1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300003414914	0	47	0.0	-79.31	364.11	9.86	-69.45
O=C([O-])C(F)C1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300003414925	1	40	0.0	-70.34	332.72	7.21	-63.13
C[NH+](C)CCC1=CC=C(C(=O)N2CC(C(F)C(=O)[O-])C2)C=C1	REAL300003414926	0	43	0.0	-69.44	346.02	8.88	-60.56
O=C([O-])C(F)C1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003414933	1	45	0.0	-77.11	357.54	8.82	-68.29
O=C([O-])C(F)C1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003414933	1	45	0.0	-62.85	361.68	8.94	-53.91
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CC(C(F)C(=O)[O-])C1	REAL300003414938	0	54	0.0	-61.11	412.81	11.37	-49.74
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CC(C(F)C(=O)[O-])C1	REAL300003414938	1	54	0.0	-62.57	407.87	11.36	-51.21
CC(C(=O)N1CC(C(F)C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003414946	0	53	0.0	-66.50	397.10	11.20	-55.30
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(F)C(=O)[O-])C1	REAL300003414975	0	43	0.0	-67.65	347.56	9.37	-58.28
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(C(F)C(=O)[O-])C1	REAL300003414975	1	43	0.0	-68.31	348.11	9.40	-58.91
COCCOCC[N@H+](C)CCC(=O)N1CC(C(F)C(=O)[O-])C1	REAL300003414976	0	47	0.0	-69.29	377.05	5.60	-63.69
COCCOCC[N@@H+](C)CCC(=O)N1CC(C(F)C(=O)[O-])C1	REAL300003414976	1	47	0.0	-70.20	376.03	5.56	-64.64
O=C([O-])C(F)C1CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300003414984	0	52	0.0	-74.87	402.28	9.14	-65.73
O=C([O-])C(F)C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300003414985	1	46	0.0	-65.10	362.30	8.34	-56.76
O=C([O-])C(F)C1CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300003414985	1	46	0.0	-65.19	348.92	7.96	-57.23
O=C([O-])C(F)C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300003414986	1	46	0.0	-57.41	349.67	7.85	-49.56
O=C([O-])C(F)C1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300003414986	1	46	0.0	-62.85	361.89	8.23	-54.62
CC(C)[NH+]1CCN(CCC(=O)N2CC(C(F)C(=O)[O-])C2)CC1	REAL300003415015	0	48	0.0	-59.20	365.30	6.27	-52.93
CC(C)N1CC[NH+](CCC(=O)N2CC(C(F)C(=O)[O-])C2)CC1	REAL300003415015	1	48	0.0	-58.69	361.48	5.95	-52.74
CC(C)[NH+]1CCN(CCCC(=O)N2CC(C(F)C(=O)[O-])C2)CC1	REAL300003415016	0	51	0.0	-60.77	386.99	7.00	-53.77
CC(C)N1CC[NH+](CCCC(=O)N2CC(C(F)C(=O)[O-])C2)CC1	REAL300003415016	1	51	0.0	-70.43	381.65	6.82	-63.61
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC(C(F)C(=O)[O-])C3)CC2)=C1	REAL300003415021	0	52	0.0	-63.59	403.94	9.02	-54.57
O=C([O-])C(F)C1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300003415022	0	49	0.0	-63.19	382.48	8.43	-54.76
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300003415024	0	46	0.0	-63.11	363.73	8.22	-54.89
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300003415024	1	46	0.0	-63.56	363.41	8.13	-55.43
CC(C(=O)N1CC(C(F)C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003415028	0	44	0.0	-52.05	345.87	9.40	-42.65
CC(C(=O)N1CC(C(F)C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003415028	1	44	0.0	-54.81	342.35	9.33	-45.48
CCC(CC)C(C(=O)N1CC(C(F)C(=O)[O-])C1)[NH+]1CCOCC1	REAL300003415041	1	50	0.0	-59.02	351.35	7.27	-51.75
O=C([O-])C(F)C1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003415054	0	47	0.0	-74.18	373.61	10.26	-63.92
O=C([O-])C(F)C1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003415054	1	47	0.0	-74.70	374.35	10.29	-64.41
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(C(F)C(=O)[O-])C2)=NN1	REAL300003415069	1	41	0.0	-69.02	333.83	6.08	-62.94
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(C(F)C(=O)[O-])C2)=NN1	REAL300003415069	1	41	0.0	-75.33	326.65	5.66	-69.67
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300003415078	0	47	0.0	-64.16	372.73	10.05	-54.11
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300003415078	1	47	0.0	-63.28	377.93	10.18	-53.10
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300003415079	1	43	0.0	-57.46	344.31	7.95	-49.51
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300003415079	1	43	0.0	-55.73	350.12	7.88	-47.85
O=C([O-])C(F)C1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300003415081	0	48	0.0	-73.50	379.52	7.82	-65.68
O=C([O-])C(F)C1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300003415131	0	52	0.0	-65.04	402.38	9.09	-55.95
O=C([O-])C(F)C1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300003415131	1	52	0.0	-74.06	400.84	8.92	-65.14
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(C(F)C(=O)[O-])C1	REAL300003415135	0	44	0.0	-67.45	324.77	5.72	-61.73
CC(C)[N@@H+]1CCC(C(=O)N2CC(C(F)C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003415139	0	53	0.0	-68.10	391.10	8.14	-59.96
CC(C)[N@H+]1CCC(C(=O)N2CC(C(F)C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003415139	1	53	0.0	-69.96	395.43	8.53	-61.43
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC(C(F)C(=O)[O-])C2)C=N1	REAL300003415140	0	47	0.0	-79.93	367.28	7.52	-72.41
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC(C(F)C(=O)[O-])C2)C=N1	REAL300003415140	1	47	0.0	-66.45	354.34	7.06	-59.39
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC(C(F)C(=O)[O-])C3)=C2)CC1	REAL300003415145	0	49	0.0	-74.80	380.61	7.38	-67.42
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC(C(F)C(=O)[O-])C3)C=C2)CC1	REAL300003415146	0	49	0.0	-77.05	381.16	7.43	-69.62
CN1CC[NH+](CC2=CC=C(C(=O)N3CC(C(F)C(=O)[O-])C3)C=C2)CC1	REAL300003415146	1	49	0.0	-67.40	381.62	7.34	-60.06
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003415223	0	47	0.0	-57.24	361.14	10.06	-47.18
O=C([O-])C(F)C1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003415223	1	47	0.0	-57.22	362.11	10.17	-47.05
CC(C)C(C(=O)N1CC(C(F)C(=O)[O-])C1)[NH+]1CCCCC1	REAL300003415272	0	46	0.0	-51.12	336.46	8.61	-42.51
O=C([O-])C(F)C1CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003415277	0	45	0.0	-57.02	360.06	6.50	-50.52
O=C([O-])C(F)C1CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003415277	1	45	0.0	-55.29	355.36	7.28	-48.01
C[NH+](C)CC1=C(C(=O)N2CC(C(F)C(=O)[O-])C2)OC2=CC=CC=C21	REAL300003415281	0	43	0.0	-59.41	352.25	8.75	-50.66
CC[NH+](CC)C(C(=O)N1CC(C(F)C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003415283	0	49	0.0	-54.33	386.90	10.48	-43.85
O=C([O-])C(F)C1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300003415305	1	45	0.0	-58.57	360.42	9.86	-48.71
CC(C)C(C(=O)N1CC(C(F)C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300003415306	1	50	0.0	-61.67	363.47	7.61	-54.06
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(F)C(=O)[O-])C3)=CC=C1N2	REAL300003415328	1	45	0.0	-66.47	358.44	8.47	-58.00
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(C(F)C(=O)[O-])C3)=CC=C1N2	REAL300003415328	1	45	0.0	-81.86	357.94	8.49	-73.37
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(C(F)C(=O)[O-])C2)O1	REAL300003415379	0	43	0.0	-59.56	347.98	8.14	-51.42
CC1=CC=C(N2CCC(C(=O)N3CC(C(F)C(=O)[O-])C3)CC2)[NH+]=C1	REAL300003415380	1	46	0.0	-69.12	362.72	7.99	-61.13
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(C(F)C(=O)[O-])C3)C=C2)CC1	REAL300003415383	0	52	0.0	-66.72	391.48	8.47	-58.25
O=C([O-])C(F)C1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300003415392	1	35	0.0	-70.57	304.18	6.11	-64.46
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(F)C(=O)[O-])C1	REAL300003415422	0	47	0.0	-68.75	370.08	10.03	-58.72
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(C(F)C(=O)[O-])C1	REAL300003415422	1	47	0.0	-69.41	369.77	10.07	-59.34
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(C(F)C(=O)[O-])C2)C=C1	REAL300003415438	0	48	0.0	-77.38	390.18	9.38	-68.00
O=C([O-])C(F)C1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300003415455	0	44	0.0	-75.09	351.99	8.49	-66.60
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC(C(F)C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003415481	0	46	0.0	-56.78	359.34	8.12	-48.66
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC(C(F)C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003415481	1	46	0.0	-63.42	359.09	8.13	-55.29
O=C([O-])C(F)C1CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300003415683	0	48	0.0	-56.37	375.51	10.35	-46.02
O=C([O-])C(F)C1CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300003415683	1	48	0.0	-58.60	374.71	10.34	-48.26
O=C([O-])C(F)C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300003415709	1	47	0.0	-62.05	360.33	9.73	-52.32
O=C([O-])C(F)C1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300003415709	1	47	0.0	-55.79	361.82	9.82	-45.97
C[N@@H+]1CC(C(=O)N2CC(C(F)C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003415774	0	37	0.0	-74.37	295.03	6.44	-67.93
C[N@H+]1CC(C(=O)N2CC(C(F)C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003415774	1	37	0.0	-58.84	309.81	6.65	-52.19
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(C(F)C(=O)[O-])C2)=C1	REAL300003416143	0	43	0.0	-74.44	344.48	8.80	-65.64
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(C(F)C(=O)[O-])C2)C=C1	REAL300003416147	0	44	0.0	-67.14	352.76	7.83	-59.31
O=C([O-])C(F)C1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300003416215	0	50	0.0	-72.13	388.31	10.87	-61.26
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(C(F)C(=O)[O-])C3)C=C2)CCO1	REAL300003416217	1	48	0.0	-69.12	371.48	8.23	-60.89
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(C(F)C(=O)[O-])C3)C=C2)CCO1	REAL300003416217	1	48	0.0	-69.01	370.82	8.27	-60.74
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(C(F)C(=O)[O-])C2)C1	REAL300003416282	0	46	0.0	-61.01	341.46	8.64	-52.37
CC(C)C[N@H+]1CCCC(C(=O)N2CC(C(F)C(=O)[O-])C2)C1	REAL300003416282	1	46	0.0	-61.01	341.46	8.64	-52.37
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC(C(F)C(=O)[O-])C2)C1	REAL300003416287	0	46	0.0	-63.77	329.03	7.18	-56.59
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC(C(F)C(=O)[O-])C2)C1	REAL300003416287	1	46	0.0	-63.77	329.03	7.18	-56.59
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003417349	0	53	0.0	-67.61	393.10	10.99	-56.62
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])CN21	REAL300003418637	1	45	0.0	-55.51	338.40	9.01	-46.50
CC1=NC(C[NH+]2CCC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])CC2)=CS1	REAL300003418689	1	52	0.0	-66.97	400.43	8.74	-58.23
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1	REAL300003418751	0	56	0.0	-71.62	424.84	11.01	-60.61
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=C1	REAL300003418757	0	56	0.0	-75.36	427.19	12.89	-62.47
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=C1	REAL300003418757	1	56	0.0	-74.37	427.15	12.89	-61.48
C[NH+](C)CC1(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CCCCC1	REAL300003418825	0	52	0.0	-41.10	351.65	9.25	-31.85
C[N@H+](CCC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])C1CCCCC1	REAL300003418827	0	52	0.0	-58.77	369.19	9.86	-48.91
C[N@@H+](CCC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])C1CCCCC1	REAL300003418827	1	52	0.0	-57.77	369.19	9.84	-47.93
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003418886	0	46	0.0	-70.15	360.01	8.92	-61.23
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003418905	0	54	0.0	-50.52	377.54	7.95	-42.57
O=C(CCCC[NH+]1CCOCC1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003418929	1	50	0.0	-67.29	369.05	7.85	-59.44
CC[N@H+](CC1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003418930	0	55	0.0	-72.55	391.77	10.71	-61.84
CC[N@@H+](CC1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003418930	1	55	0.0	-70.31	389.81	10.49	-59.82
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003418947	0	50	0.0	-60.17	374.28	10.65	-49.52
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003418947	1	50	0.0	-60.53	374.04	10.67	-49.86
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003418948	0	51	0.0	-63.88	370.58	9.90	-53.98
O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003418970	0	54	0.0	-60.92	369.08	7.65	-53.27
CC(C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003418973	0	49	0.0	-51.30	367.30	9.81	-41.49
CC(C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003418973	1	49	0.0	-54.78	365.52	10.26	-44.52
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003418981	0	56	0.0	-64.35	414.42	12.33	-52.02
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003418981	1	56	0.0	-62.19	414.42	12.32	-49.87
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=N1	REAL300003418998	0	45	0.0	-70.21	346.28	7.43	-62.78
CCC[NH+](CCC)CCCC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003419005	0	54	0.0	-61.33	388.85	10.18	-51.15
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003419023	0	50	0.0	-73.44	374.70	10.41	-63.03
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003419028	0	53	0.0	-69.21	390.48	11.62	-57.59
CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])CC2)CC1	REAL300003419034	0	61	0.0	-62.72	427.16	8.76	-53.96
CC1C[NH+](CC2=CC=C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300003419041	1	57	0.0	-75.68	425.76	10.26	-65.42
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003419050	1	54	0.0	-70.84	405.05	10.80	-60.04
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003419050	1	54	0.0	-70.08	394.70	10.28	-59.80
CC1=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003419064	1	44	0.0	-75.43	348.08	7.70	-67.73
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003419067	0	53	0.0	-73.74	392.01	11.17	-62.57
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003419078	1	46	0.0	-72.40	356.25	8.51	-63.89
C[NH+](C)CCC1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1	REAL300003419079	0	49	0.0	-77.33	372.96	10.16	-67.17
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003419083	1	51	0.0	-66.90	377.73	10.13	-56.77
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003419083	1	51	0.0	-68.63	384.82	10.29	-58.34
CC(C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003419092	0	59	0.0	-49.56	429.02	12.74	-36.82
CC(C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])[NH+]1CCSCC1	REAL300003419114	1	44	0.0	-53.47	326.16	8.11	-45.36
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003419121	0	49	0.0	-55.71	369.92	10.70	-45.01
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003419121	1	49	0.0	-55.44	369.90	10.71	-44.73
COCCOCC[N@H+](C)CCC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003419122	0	53	0.0	-59.81	398.91	6.87	-52.94
COCCOCC[N@@H+](C)CCC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003419122	1	53	0.0	-58.92	398.95	6.88	-52.04
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003419129	0	58	0.0	-65.98	425.08	10.40	-55.58
C[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])C1CCSC1	REAL300003419151	0	44	0.0	-54.97	331.55	8.48	-46.49
C[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])C1CCSC1	REAL300003419151	1	44	0.0	-59.39	331.67	8.03	-51.36
CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300003419161	0	54	0.0	-62.44	382.17	7.20	-55.24
CC(C)N1CC[NH+](CCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300003419161	1	54	0.0	-58.04	382.93	7.28	-50.76
CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300003419162	0	57	0.0	-65.19	407.63	8.24	-56.95
CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300003419162	1	57	0.0	-62.28	404.44	8.07	-54.21
C[NH+](C)CCN1C=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=N1	REAL300003419164	0	46	0.0	-74.52	356.64	7.30	-67.22
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])CC2)=C1	REAL300003419167	0	58	0.0	-61.99	424.97	10.26	-51.73
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003419169	0	55	0.0	-61.91	403.56	9.61	-52.30
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003419172	0	52	0.0	-58.28	380.48	9.81	-48.47
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003419172	1	52	0.0	-61.13	386.71	9.61	-51.52
CC(C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003419177	1	50	0.0	-55.41	370.68	10.17	-45.24
CC(C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003419177	1	50	0.0	-50.15	366.23	10.78	-39.37
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003419196	0	53	0.0	-65.06	396.23	11.52	-53.54
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003419196	1	53	0.0	-64.93	396.95	11.50	-53.43
C[NH+](C)CCN1C=CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=N1	REAL300003419207	0	46	0.0	-76.06	355.47	7.79	-68.27
C[NH+](C)CCN1N=CC=C1C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003419208	0	46	0.0	-56.16	352.23	7.29	-48.87
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003419209	1	47	0.0	-54.19	356.72	9.47	-44.72
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003419220	0	53	0.0	-61.77	392.02	11.73	-50.04
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003419220	1	53	0.0	-60.87	398.25	11.52	-49.35
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003419224	0	54	0.0	-60.88	401.29	9.01	-51.87
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300003419259	1	53	0.0	-69.51	394.73	9.30	-60.21
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003419260	0	53	0.0	-60.74	378.18	9.77	-50.97
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003419260	1	53	0.0	-58.97	376.31	10.22	-48.75
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=C2)CC1	REAL300003419285	0	55	0.0	-75.09	407.55	9.19	-65.90
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300003419286	0	55	0.0	-73.00	409.08	8.74	-64.26
CN1CC[NH+](CC2=CC=C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300003419286	1	55	0.0	-74.27	408.56	8.61	-65.66
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1	REAL300003419287	0	56	0.0	-72.18	411.65	10.17	-62.01
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003419364	0	57	0.0	-76.36	422.15	8.94	-67.42
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=C1	REAL300003419368	0	46	0.0	-71.16	348.92	9.76	-61.40
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003419369	0	53	0.0	-59.63	391.90	11.45	-48.18
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003419369	1	53	0.0	-57.43	387.16	11.20	-46.23
CC[NH+]1CCN(CCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300003419410	0	51	0.0	-64.02	368.87	6.88	-57.14
CCN1CC[NH+](CCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300003419410	1	51	0.0	-58.14	369.36	6.92	-51.22
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003419416	1	47	0.0	-54.42	356.22	9.42	-45.00
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=CC=C1N2	REAL300003419463	1	51	0.0	-76.75	383.91	10.19	-66.56
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=CC=C1N2	REAL300003419463	1	51	0.0	-78.18	385.51	9.72	-68.46
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])O1	REAL300003419503	0	49	0.0	-64.96	371.11	9.45	-55.51
CC1=CC=C(N2CCC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300003419504	1	52	0.0	-62.90	384.81	9.34	-53.56
C[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300003419505	1	46	0.0	-54.67	347.42	9.86	-44.81
C[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300003419505	1	46	0.0	-55.14	347.48	9.86	-45.28
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300003419508	0	58	0.0	-75.22	416.94	10.14	-65.08
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003419517	1	41	0.0	-73.86	331.63	7.25	-66.61
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003419544	0	53	0.0	-61.68	390.08	11.22	-50.46
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003419544	1	53	0.0	-55.99	396.67	11.37	-44.62
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1	REAL300003419561	0	54	0.0	-74.75	413.26	10.74	-64.01
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003419575	0	50	0.0	-66.75	375.86	9.86	-56.89
C[N@@H+]1CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300003419869	0	43	0.0	-60.76	318.84	8.26	-52.50
C[N@H+]1CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300003419869	1	43	0.0	-70.25	321.95	7.65	-62.60
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=C1	REAL300003420209	0	49	0.0	-75.28	372.98	10.15	-65.13
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1	REAL300003420214	0	50	0.0	-74.21	380.26	9.10	-65.11
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003420286	0	56	0.0	-64.83	410.54	12.21	-52.62
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])C=C2)CCO1	REAL300003420288	1	54	0.0	-74.46	396.29	9.94	-64.52
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])C=C2)CCO1	REAL300003420288	1	54	0.0	-74.69	403.06	9.98	-64.71
CC1=[NH+]C=C2C=CC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=CN21	REAL300003420312	0	41	0.0	-59.55	322.36	9.56	-49.99
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C1	REAL300003420349	0	52	0.0	-57.21	371.99	9.97	-47.24
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C1	REAL300003420349	1	52	0.0	-58.52	371.95	9.98	-48.54
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003421420	0	53	0.0	-67.61	393.10	10.99	-56.62
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])CN21	REAL300003422708	1	45	0.0	-55.51	338.40	9.01	-46.50
CC1=NC(C[NH+]2CCC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])CC2)=CS1	REAL300003422760	1	52	0.0	-66.97	400.43	8.74	-58.23
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1	REAL300003422822	0	56	0.0	-71.62	424.84	11.01	-60.61
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=C1	REAL300003422828	0	56	0.0	-75.36	427.19	12.89	-62.47
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=C1	REAL300003422828	1	56	0.0	-74.37	427.15	12.89	-61.48
C[NH+](C)CC1(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CCCCC1	REAL300003422896	0	52	0.0	-41.10	351.65	9.25	-31.85
C[N@H+](CCC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])C1CCCCC1	REAL300003422898	0	52	0.0	-58.77	369.19	9.86	-48.91
C[N@@H+](CCC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])C1CCCCC1	REAL300003422898	1	52	0.0	-57.77	369.19	9.84	-47.93
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003422957	0	46	0.0	-70.15	360.01	8.92	-61.23
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003422976	0	54	0.0	-50.52	377.54	7.95	-42.57
O=C(CCCC[NH+]1CCOCC1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003423000	1	50	0.0	-67.29	369.05	7.85	-59.44
CC[N@H+](CC1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003423001	0	55	0.0	-72.55	391.77	10.71	-61.84
CC[N@@H+](CC1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003423001	1	55	0.0	-70.31	389.81	10.49	-59.82
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003423018	0	50	0.0	-60.17	374.28	10.65	-49.52
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003423018	1	50	0.0	-60.53	374.04	10.67	-49.86
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003423019	0	51	0.0	-63.88	370.58	9.90	-53.98
O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003423041	0	54	0.0	-60.92	369.08	7.65	-53.27
CC(C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003423044	0	49	0.0	-51.30	367.30	9.81	-41.49
CC(C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003423044	1	49	0.0	-54.78	365.52	10.26	-44.52
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003423052	0	56	0.0	-64.35	414.42	12.33	-52.02
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003423052	1	56	0.0	-62.19	414.42	12.32	-49.87
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=N1	REAL300003423069	0	45	0.0	-70.21	346.28	7.43	-62.78
CCC[NH+](CCC)CCCC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003423076	0	54	0.0	-61.33	388.85	10.18	-51.15
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003423094	0	50	0.0	-73.44	374.70	10.41	-63.03
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003423099	0	53	0.0	-69.21	390.48	11.62	-57.59
CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])CC2)CC1	REAL300003423105	0	61	0.0	-62.72	427.16	8.76	-53.96
CC1C[NH+](CC2=CC=C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300003423112	1	57	0.0	-75.68	425.76	10.26	-65.42
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003423121	1	54	0.0	-70.84	405.05	10.80	-60.04
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003423121	1	54	0.0	-70.08	394.70	10.28	-59.80
CC1=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003423135	1	44	0.0	-75.43	348.08	7.70	-67.73
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003423138	0	53	0.0	-73.74	392.01	11.17	-62.57
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003423149	1	46	0.0	-72.40	356.25	8.51	-63.89
C[NH+](C)CCC1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1	REAL300003423150	0	49	0.0	-77.33	372.96	10.16	-67.17
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003423154	1	51	0.0	-66.90	377.73	10.13	-56.77
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003423154	1	51	0.0	-68.63	384.82	10.29	-58.34
CC(C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003423163	0	59	0.0	-49.56	429.02	12.74	-36.82
CC(C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])[NH+]1CCSCC1	REAL300003423185	1	44	0.0	-53.47	326.16	8.11	-45.36
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003423192	0	49	0.0	-55.71	369.92	10.70	-45.01
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003423192	1	49	0.0	-55.44	369.90	10.71	-44.73
COCCOCC[N@H+](C)CCC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003423193	0	53	0.0	-59.81	398.91	6.87	-52.94
COCCOCC[N@@H+](C)CCC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003423193	1	53	0.0	-58.92	398.95	6.88	-52.04
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003423200	0	58	0.0	-65.98	425.08	10.40	-55.58
C[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])C1CCSC1	REAL300003423222	0	44	0.0	-54.97	331.55	8.48	-46.49
C[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])C1CCSC1	REAL300003423222	1	44	0.0	-59.39	331.67	8.03	-51.36
CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300003423232	0	54	0.0	-62.44	382.17	7.20	-55.24
CC(C)N1CC[NH+](CCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300003423232	1	54	0.0	-58.04	382.93	7.28	-50.76
CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300003423233	0	57	0.0	-65.19	407.63	8.24	-56.95
CC(C)N1CC[NH+](CCCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300003423233	1	57	0.0	-62.28	404.44	8.07	-54.21
C[NH+](C)CCN1C=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=N1	REAL300003423235	0	46	0.0	-74.52	356.64	7.30	-67.22
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])CC2)=C1	REAL300003423238	0	58	0.0	-61.99	424.97	10.26	-51.73
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003423240	0	55	0.0	-61.91	403.56	9.61	-52.30
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003423243	0	52	0.0	-58.28	380.48	9.81	-48.47
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003423243	1	52	0.0	-61.13	386.71	9.61	-51.52
CC(C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003423248	1	50	0.0	-55.41	370.68	10.17	-45.24
CC(C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003423248	1	50	0.0	-50.15	366.23	10.78	-39.37
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003423267	0	53	0.0	-65.06	396.23	11.52	-53.54
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003423267	1	53	0.0	-64.93	396.95	11.50	-53.43
C[NH+](C)CCN1C=CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=N1	REAL300003423278	0	46	0.0	-76.06	355.47	7.79	-68.27
C[NH+](C)CCN1N=CC=C1C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003423279	0	46	0.0	-56.16	352.23	7.29	-48.87
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003423280	1	47	0.0	-54.19	356.72	9.47	-44.72
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003423291	0	53	0.0	-61.77	392.02	11.73	-50.04
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003423291	1	53	0.0	-60.87	398.25	11.52	-49.35
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003423295	0	54	0.0	-60.88	401.29	9.01	-51.87
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300003423330	1	53	0.0	-69.51	394.73	9.30	-60.21
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003423331	0	53	0.0	-60.74	378.18	9.77	-50.97
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003423331	1	53	0.0	-58.97	376.31	10.22	-48.75
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=C2)CC1	REAL300003423356	0	55	0.0	-75.09	407.55	9.19	-65.90
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300003423357	0	55	0.0	-73.00	409.08	8.74	-64.26
CN1CC[NH+](CC2=CC=C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300003423357	1	55	0.0	-74.27	408.56	8.61	-65.66
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1	REAL300003423358	0	56	0.0	-72.18	411.65	10.17	-62.01
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003423435	0	57	0.0	-76.36	422.15	8.94	-67.42
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=C1	REAL300003423439	0	46	0.0	-71.16	348.92	9.76	-61.40
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003423440	0	53	0.0	-59.63	391.90	11.45	-48.18
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003423440	1	53	0.0	-57.43	387.16	11.20	-46.23
CC[NH+]1CCN(CCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300003423481	0	51	0.0	-64.02	368.87	6.88	-57.14
CCN1CC[NH+](CCC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])CC1	REAL300003423481	1	51	0.0	-58.14	369.36	6.92	-51.22
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003423487	1	47	0.0	-54.42	356.22	9.42	-45.00
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=CC=C1N2	REAL300003423534	1	51	0.0	-76.75	383.91	10.19	-66.56
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=CC=C1N2	REAL300003423534	1	51	0.0	-78.18	385.51	9.72	-68.46
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])O1	REAL300003423574	0	49	0.0	-64.96	371.11	9.45	-55.51
CC1=CC=C(N2CCC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300003423575	1	52	0.0	-62.90	384.81	9.34	-53.56
C[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300003423576	1	46	0.0	-54.67	347.42	9.86	-44.81
C[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300003423576	1	46	0.0	-55.14	347.48	9.86	-45.28
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])C=C2)CC1	REAL300003423579	0	58	0.0	-75.22	416.94	10.14	-65.08
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003423588	1	41	0.0	-73.86	331.63	7.25	-66.61
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003423615	0	53	0.0	-61.68	390.08	11.22	-50.46
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003423615	1	53	0.0	-55.99	396.67	11.37	-44.62
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1	REAL300003423632	0	54	0.0	-74.75	413.26	10.74	-64.01
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003423646	0	50	0.0	-66.75	375.86	9.86	-56.89
C[N@@H+]1CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300003423940	0	43	0.0	-60.76	318.84	8.26	-52.50
C[N@H+]1CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300003423940	1	43	0.0	-70.25	321.95	7.65	-62.60
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])=C1	REAL300003424280	0	49	0.0	-75.28	372.98	10.15	-65.13
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C=C1	REAL300003424285	0	50	0.0	-74.21	380.26	9.10	-65.11
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003424357	0	56	0.0	-64.83	410.54	12.21	-52.62
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])C=C2)CCO1	REAL300003424359	1	54	0.0	-74.46	396.29	9.94	-64.52
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])C=C2)CCO1	REAL300003424359	1	54	0.0	-74.69	403.06	9.98	-64.71
CC1=[NH+]C=C2C=CC(C(=O)N[C@H]3CCCC[C@H]3C(=O)[O-])=CN21	REAL300003424383	0	41	0.0	-59.55	322.36	9.56	-49.99
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C1	REAL300003424420	0	52	0.0	-57.21	371.99	9.97	-47.24
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])C1	REAL300003424420	1	52	0.0	-58.52	371.95	9.98	-48.54
CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NC=C(C(=O)[O-])S1	REAL300003425661	0	49	0.0	-72.49	402.92	9.01	-63.48
CC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C1=NC=C(C(=O)[O-])S1	REAL300003426360	1	46	0.0	-64.77	387.12	8.51	-56.26
CC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C1=NC=C(C(=O)[O-])S1	REAL300003426360	1	46	0.0	-63.27	385.61	8.44	-54.83
CC(NC(=O)C1CC[NH+](C2CC2)CC1)C1=NC=C(C(=O)[O-])S1	REAL300003427289	0	43	0.0	-66.15	351.25	6.65	-59.50
CC(NC(=O)C1CCC[N@@H+]1C1CC1)C1=NC=C(C(=O)[O-])S1	REAL300003427319	1	40	0.0	-64.36	332.36	5.79	-58.57
CC(NC(=O)C1CCC[N@H+]1C1CC1)C1=NC=C(C(=O)[O-])S1	REAL300003427319	1	40	0.0	-60.76	339.19	6.28	-54.48
CC1=[NH+]C=C2CCC(C(=O)NC(C)C3=NC=C(C(=O)[O-])S3)CN21	REAL300003427325	1	41	0.0	-61.10	350.18	6.54	-54.56
CC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427326	0	49	0.0	-63.24	406.16	8.98	-54.26
CC1=NC(C[NH+]2CCC(C(=O)NC(C)C3=NC=C(C(=O)[O-])S3)CC2)=CS1	REAL300003427404	1	48	0.0	-70.99	409.92	6.70	-64.29
CC(NC(=O)C(C)N1CC[NH+](C)CC1)C1=NC=C(C(=O)[O-])S1	REAL300003427405	1	44	0.0	-68.04	355.11	3.63	-64.41
CC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427491	0	52	0.0	-71.00	435.90	8.54	-62.46
CC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C1=NC=C(C(=O)[O-])S1	REAL300003427504	0	52	0.0	-63.06	415.56	9.43	-53.63
CC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427562	0	34	0.0	-68.14	312.00	7.30	-60.84
CC(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=NC=C(C(=O)[O-])S1	REAL300003427595	0	48	0.0	-62.90	366.32	7.42	-55.48
CC(NC(=O)CC[N@H+](C)C1CCCCC1)C1=NC=C(C(=O)[O-])S1	REAL300003427600	0	48	0.0	-68.10	380.25	7.36	-60.74
CC(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=NC=C(C(=O)[O-])S1	REAL300003427600	1	48	0.0	-67.88	380.25	7.38	-60.50
CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427676	0	42	0.0	-70.87	371.09	6.43	-64.44
CC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)C1=NC=C(C(=O)[O-])S1	REAL300003427700	0	49	0.0	-61.42	374.47	7.72	-53.70
CC(NC(=O)C1CCCC[N@H+]1C1CCCC1)C1=NC=C(C(=O)[O-])S1	REAL300003427700	1	49	0.0	-60.87	374.51	7.71	-53.16
CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=NC=C(C(=O)[O-])S1	REAL300003427701	0	50	0.0	-71.50	393.57	6.08	-65.42
CC1=[NH+]C=CN1CCCC(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003427732	1	40	0.0	-64.36	352.81	6.69	-57.67
CC(NC(=O)CCCC[NH+]1CCOCC1)C1=NC=C(C(=O)[O-])S1	REAL300003427733	1	46	0.0	-71.19	380.11	5.37	-65.82
CC[N@H+](CC1=CC=C(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300003427735	0	51	0.0	-70.09	408.58	8.88	-61.21
CC[N@@H+](CC1=CC=C(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C=C1)C(C)C	REAL300003427735	1	51	0.0	-71.92	399.17	8.57	-63.35
CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003427769	0	46	0.0	-68.28	385.05	8.17	-60.11
CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003427769	1	46	0.0	-68.72	386.85	8.28	-60.44
CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=NC=C(C(=O)[O-])S1	REAL300003427770	0	47	0.0	-73.31	381.62	7.42	-65.89
CC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C1=NC=C(C(=O)[O-])S1	REAL300003427798	1	51	0.0	-66.41	415.26	7.08	-59.33
CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=NC=C(C(=O)[O-])S1	REAL300003427799	0	50	0.0	-68.12	374.78	5.45	-62.67
CCC(C(=O)NC(C)C1=NC=C(C(=O)[O-])S1)[NH+](CC)CC	REAL300003427803	0	44	0.0	-60.08	348.11	6.15	-53.93
CC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427805	0	45	0.0	-65.73	376.99	7.78	-57.95
CC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427805	1	45	0.0	-66.54	376.61	7.78	-58.76
CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003427815	0	52	0.0	-70.83	425.47	9.83	-61.00
CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003427815	1	52	0.0	-64.68	419.25	10.05	-54.63
CC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427840	0	41	0.0	-71.97	355.78	5.41	-66.56
CCC[NH+](CCC)CCCC(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003427849	0	50	0.0	-68.24	399.92	7.71	-60.53
CC[N@H+](C)C(C(=O)NC(C)C1=NC=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300003427851	0	45	0.0	-62.57	375.27	7.91	-54.66
CC[N@@H+](C)C(C(=O)NC(C)C1=NC=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300003427851	1	45	0.0	-60.22	375.26	7.91	-52.31
CC[NH+](CC)C(C(=O)NC(C)C1=NC=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300003427855	0	48	0.0	-63.57	375.82	7.91	-55.66
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003427863	1	40	0.0	-61.30	347.58	6.53	-54.77
CC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C1=NC=C(C(=O)[O-])S1	REAL300003427867	1	42	0.0	-68.43	373.30	7.80	-60.63
CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427880	0	46	0.0	-72.89	384.80	8.43	-64.46
CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427887	0	49	0.0	-70.39	401.56	9.13	-61.26
CCN1CCC([NH+]2CCC(C(=O)NC(C)C3=NC=C(C(=O)[O-])S3)CC2)CC1	REAL300003427893	0	57	0.0	-68.35	432.74	6.50	-61.85
CC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1=NC=C(C(=O)[O-])S1	REAL300003427913	1	50	0.0	-76.01	409.40	8.26	-67.75
CC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=NC=C(C(=O)[O-])S1	REAL300003427913	1	50	0.0	-73.95	416.19	8.31	-65.64
CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427925	1	49	0.0	-62.96	400.50	8.94	-54.02
CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427925	1	49	0.0	-63.99	391.04	8.77	-55.22
CC1=C(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C=NN1C1=CC=[NH+]C=C1	REAL300003427927	1	40	0.0	-75.84	357.61	5.68	-70.16
CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427935	0	49	0.0	-73.12	401.25	9.09	-64.03
CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427948	1	42	0.0	-74.65	365.26	5.88	-68.77
CC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300003427949	0	45	0.0	-75.39	382.48	8.13	-67.26
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003427961	1	38	0.0	-58.77	331.16	4.86	-53.91
CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1=NC=C(C(=O)[O-])S1	REAL300003428025	0	44	0.0	-65.11	351.63	6.32	-58.79
CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1=NC=C(C(=O)[O-])S1	REAL300003428025	1	44	0.0	-65.48	349.68	6.19	-59.29
CC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428027	0	45	0.0	-69.85	380.98	8.22	-61.63
CC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428027	1	45	0.0	-69.95	380.98	8.23	-61.72
COCCOCC[N@H+](C)CCC(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003428028	0	49	0.0	-68.24	409.97	4.40	-63.84
COCCOCC[N@@H+](C)CCC(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003428028	1	49	0.0	-69.58	410.02	4.40	-65.18
CC(NC(=O)CC1(O)CCC[N@H+](C)C1)C1=NC=C(C(=O)[O-])S1	REAL300003428032	0	43	0.0	-62.43	352.17	4.15	-58.28
CC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C1=NC=C(C(=O)[O-])S1	REAL300003428032	1	43	0.0	-66.50	349.29	4.22	-62.28
CCCCCC[N@H+](C)CC(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003428052	0	47	0.0	-66.97	385.57	7.55	-59.42
CCCCCC[N@@H+](C)CC(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003428052	1	47	0.0	-66.89	385.57	7.55	-59.34
CC(NC(=O)C12CCC[NH+]1CCC2)C1=NC=C(C(=O)[O-])S1	REAL300003428062	0	40	0.0	-60.91	326.48	5.77	-55.14
CC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428070	1	34	0.0	-70.92	312.29	7.31	-63.61
CC(NC(=O)C[N@H+](C)C1CCSC1)C1=NC=C(C(=O)[O-])S1	REAL300003428088	0	40	0.0	-70.57	341.18	6.01	-64.56
CC(NC(=O)C[N@@H+](C)C1CCSC1)C1=NC=C(C(=O)[O-])S1	REAL300003428088	1	40	0.0	-70.99	341.05	6.04	-64.95
CC(C)[NH+]1CCN(CCC(=O)NC(C)C2=NC=C(C(=O)[O-])S2)CC1	REAL300003428103	0	50	0.0	-66.56	397.19	4.96	-61.60
CC(C)[NH+]1CCN(CCCC(=O)NC(C)C2=NC=C(C(=O)[O-])S2)CC1	REAL300003428104	0	53	0.0	-65.63	418.69	5.76	-59.87
CC(C)N1CC[NH+](CCCC(=O)NC(C)C2=NC=C(C(=O)[O-])S2)CC1	REAL300003428104	1	53	0.0	-68.82	415.01	5.55	-63.27
CC(NC(=O)C1CCCC2CCC[N@@H+]21)C1=NC=C(C(=O)[O-])S1	REAL300003428105	0	43	0.0	-58.99	346.39	6.64	-52.35
CC(NC(=O)C1CCCC2CCC[N@H+]21)C1=NC=C(C(=O)[O-])S1	REAL300003428105	1	43	0.0	-58.66	346.22	6.64	-52.02
CC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428107	0	42	0.0	-75.37	366.17	5.29	-70.08
CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NC=C(C(=O)[O-])S1	REAL300003428116	0	51	0.0	-72.60	414.64	7.12	-65.48
CC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003428119	0	48	0.0	-70.35	391.62	7.42	-62.93
CC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003428119	1	48	0.0	-71.76	397.78	7.12	-64.64
CC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003428148	0	49	0.0	-71.07	404.74	8.95	-62.12
CC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003428148	1	49	0.0	-71.15	405.14	8.93	-62.22
CC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428163	0	42	0.0	-75.41	366.54	5.31	-70.10
CC(NC(=O)C1=CC=NN1CC[NH+](C)C)C1=NC=C(C(=O)[O-])S1	REAL300003428164	0	42	0.0	-65.37	361.55	5.26	-60.11
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003428170	1	43	0.0	-61.61	367.80	7.00	-54.61
CC[C@@H]1[C@@H](C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)CC[N@@H+]1C	REAL300003428173	0	42	0.0	-66.92	338.81	5.48	-61.44
CC[C@@H]1[C@@H](C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)CC[N@H+]1C	REAL300003428173	1	42	0.0	-66.33	343.75	5.83	-60.50
CC(NC(=O)C1C[N@H+](C)CC(C)O1)C1=NC=C(C(=O)[O-])S1	REAL300003428185	1	40	0.0	-63.46	333.28	4.82	-58.64
CC(NC(=O)C1C[N@@H+](C)CC(C)O1)C1=NC=C(C(=O)[O-])S1	REAL300003428185	1	40	0.0	-71.88	333.17	4.55	-67.33
CC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003428191	0	49	0.0	-70.38	403.11	9.25	-61.13
CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003428191	1	49	0.0	-71.86	409.35	9.04	-62.82
CC(C[NH+]1CCOCC1)C(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003428197	1	43	0.0	-68.28	353.15	4.52	-63.76
CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=NC=C(C(=O)[O-])S1	REAL300003428198	0	50	0.0	-72.38	412.40	6.54	-65.84
CC(NC(=O)C[NH+]1CCC(C)CC1)C1=NC=C(C(=O)[O-])S1	REAL300003428208	1	42	0.0	-65.80	344.80	6.29	-59.51
CC[N@@H+]1CCOC(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C1	REAL300003428223	1	40	0.0	-71.64	337.06	4.87	-66.77
CC[N@H+]1CCOC(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C1	REAL300003428223	1	40	0.0	-67.76	329.91	4.70	-63.06
CC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C1=NC=C(C(=O)[O-])S1	REAL300003428262	1	49	0.0	-74.26	403.63	7.35	-66.91
CC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003428263	0	49	0.0	-66.04	387.37	7.72	-58.32
CC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003428263	1	49	0.0	-66.87	387.18	7.66	-59.21
CC(NC(=O)CCC1CCC[N@@H+]1C)C1=NC=C(C(=O)[O-])S1	REAL300003428270	0	42	0.0	-67.05	343.81	5.81	-61.24
CC(NC(=O)CCC1CCC[N@H+]1C)C1=NC=C(C(=O)[O-])S1	REAL300003428270	1	42	0.0	-66.55	343.75	5.80	-60.75
CC(NC(=O)C12CCC[NH+](CCC1)C2)C1=NC=C(C(=O)[O-])S1	REAL300003428283	0	43	0.0	-68.48	339.25	5.99	-62.49
CC(NC(=O)C1(C)CC(O)C[N@@H+]1C)C1=NC=C(C(=O)[O-])S1	REAL300003428287	1	40	0.0	-68.03	329.39	2.15	-65.88
CC(NC(=O)C1(C)CC(O)C[N@H+]1C)C1=NC=C(C(=O)[O-])S1	REAL300003428287	1	40	0.0	-64.97	329.54	2.17	-62.80
CC(NC(=O)C1CCC2CCCC[N@@H+]21)C1=NC=C(C(=O)[O-])S1	REAL300003428288	0	43	0.0	-59.65	349.66	6.75	-52.90
CC(NC(=O)C1CCC2CCCC[N@H+]21)C1=NC=C(C(=O)[O-])S1	REAL300003428288	1	43	0.0	-60.20	349.65	6.72	-53.48
CC(NC(=O)C(C)(C)C[NH+]1CCOCC1)C1=NC=C(C(=O)[O-])S1	REAL300003428296	0	46	0.0	-64.17	362.65	4.88	-59.29
CC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428301	0	49	0.0	-75.11	387.87	5.85	-69.26
CC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428301	1	49	0.0	-75.00	398.25	6.17	-68.83
CC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428306	0	51	0.0	-72.06	418.63	6.70	-65.36
CC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428307	0	51	0.0	-71.24	417.73	6.52	-64.72
CC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428307	1	51	0.0	-73.94	418.08	6.58	-67.36
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C=C1	REAL300003428308	0	52	0.0	-71.05	424.99	8.41	-62.64
CC(C)[NH+]1CCC(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)CC1	REAL300003428316	0	45	0.0	-66.17	357.08	6.40	-59.77
CC(NC(=O)C12CC[N@H+](C1)CCC2)C1=NC=C(C(=O)[O-])S1	REAL300003428403	0	40	0.0	-68.28	323.42	5.00	-63.28
CC(NC(=O)C12CC[N@@H+](C1)CCC2)C1=NC=C(C(=O)[O-])S1	REAL300003428403	1	40	0.0	-68.50	322.70	5.12	-63.38
CC(NC(=O)C[NH+]1C(C)CCC1C)C1=NC=C(C(=O)[O-])S1	REAL300003428456	0	42	0.0	-61.94	338.98	5.79	-56.15
CC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428457	0	42	0.0	-71.79	359.99	7.28	-64.51
CC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003428458	0	49	0.0	-67.50	402.98	8.97	-58.53
CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003428458	1	49	0.0	-67.75	402.91	8.97	-58.78
C#CC[NH+]1CCC(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)CC1	REAL300003428529	0	41	0.0	-70.42	351.10	6.59	-63.83
CCC[N@@H+]1CCCCC1C(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003428531	0	45	0.0	-63.46	353.70	6.61	-56.85
CCC[N@H+]1CCCCC1C(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003428531	1	45	0.0	-62.36	353.68	6.61	-55.75
CC(NC(=O)C1=CC=CC=C1C[NH+](C)C)C1=NC=C(C(=O)[O-])S1	REAL300003428532	0	42	0.0	-61.46	352.43	7.56	-53.90
CC[NH+]1CCN(CCC(=O)NC(C)C2=NC=C(C(=O)[O-])S2)CC1	REAL300003428534	0	47	0.0	-67.58	379.29	4.29	-63.29
CCN1CC[NH+](CCC(=O)NC(C)C2=NC=C(C(=O)[O-])S2)CC1	REAL300003428534	1	47	0.0	-67.98	380.45	4.44	-63.54
CC(C)C(C(=O)NC(C)C1=NC=C(C(=O)[O-])S1)[NH+]1CCCCC1	REAL300003428536	0	48	0.0	-62.13	369.95	7.43	-54.70
CC(NC(=O)C(C1=CC=CC=C1)[NH+](C)C)C1=NC=C(C(=O)[O-])S1	REAL300003428537	1	42	0.0	-64.49	356.55	7.28	-57.21
CC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003428541	0	47	0.0	-66.76	395.67	5.25	-61.51
CC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300003428541	1	47	0.0	-66.42	395.19	5.24	-61.18
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003428547	1	43	0.0	-61.10	367.26	6.92	-54.18
CC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C1=NC=C(C(=O)[O-])S1	REAL300003428548	0	45	0.0	-66.70	387.16	7.63	-59.07
CC(NC(=O)C1CCC[N@@H+]1C1CCCC1)C1=NC=C(C(=O)[O-])S1	REAL300003428554	0	46	0.0	-61.99	364.68	7.31	-54.68
CC(NC(=O)C1CCC[N@H+]1C1CCCC1)C1=NC=C(C(=O)[O-])S1	REAL300003428554	1	46	0.0	-62.45	367.77	7.17	-55.28
CC(NC(=O)C(C)[NH+]1CCCCCC1)C1=NC=C(C(=O)[O-])S1	REAL300003428585	0	45	0.0	-61.46	352.94	6.57	-54.89
CC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428623	1	47	0.0	-75.90	394.79	7.72	-68.18
CC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428623	1	47	0.0	-75.79	395.00	7.70	-68.09
CC[NH+](CC)CC1=CC=C(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)O1	REAL300003428678	0	45	0.0	-69.02	377.68	6.69	-62.33
CC(NC(=O)CCCC[NH+]1CCCC1)C1=NC=C(C(=O)[O-])S1	REAL300003428679	0	45	0.0	-67.91	373.17	7.10	-60.81
CC1=CC=C(N2CCC(C(=O)NC(C)C3=NC=C(C(=O)[O-])S3)CC2)[NH+]=C1	REAL300003428681	1	48	0.0	-64.56	395.88	6.87	-57.69
CC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428682	1	42	0.0	-69.38	358.50	7.37	-62.01
CC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428682	1	42	0.0	-69.54	358.50	7.38	-62.16
CC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428704	1	37	0.0	-74.97	341.15	5.23	-69.74
CC(NC(=O)C1=NOC(C[NH+](C)C)=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428735	1	38	0.0	-76.12	340.96	4.82	-71.30
CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=NC=C(C(=O)[O-])S1	REAL300003428739	0	49	0.0	-69.73	403.05	8.78	-60.95
CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=NC=C(C(=O)[O-])S1	REAL300003428739	1	49	0.0	-70.83	407.36	8.97	-61.86
CC(C)[N@@H+]1CCCC1C(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003428756	0	42	0.0	-60.93	340.78	5.89	-55.04
CC(C)[N@H+]1CCCC1C(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003428756	1	42	0.0	-62.91	329.51	5.74	-57.17
CC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300003428763	0	50	0.0	-72.87	424.33	8.24	-64.63
CC(NC(=O)COC1CC[NH+](C)CC1)C1=NC=C(C(=O)[O-])S1	REAL300003428783	0	43	0.0	-72.22	361.79	5.88	-66.34
CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=NC=C(C(=O)[O-])S1	REAL300003428788	0	46	0.0	-69.85	388.00	7.47	-62.38
CC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=NC=C(C(=O)[O-])S1	REAL300003428833	0	48	0.0	-69.68	395.86	6.99	-62.69
CC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=NC=C(C(=O)[O-])S1	REAL300003428833	1	48	0.0	-67.31	394.72	7.07	-60.24
CCC[N@@H+]1CCCC(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C1	REAL300003428983	0	45	0.0	-61.52	359.33	7.01	-54.51
CCC[N@H+]1CCCC(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C1	REAL300003428983	1	45	0.0	-65.96	365.57	6.80	-59.16
CC(C)C[N@@H+]1CCCC1C(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003429016	0	45	0.0	-61.77	366.79	6.97	-54.80
CC(C)C[N@H+]1CCCC1C(=O)NC(C)C1=NC=C(C(=O)[O-])S1	REAL300003429016	1	45	0.0	-61.87	360.78	6.45	-55.42
CC(NC(=O)C[NH+]1CCC(CO)CC1)C1=NC=C(C(=O)[O-])S1	REAL300003429017	1	43	0.0	-68.27	355.63	2.97	-65.30
CC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1=NC=C(C(=O)[O-])S1	REAL300003429119	0	50	0.0	-66.06	410.73	9.26	-56.80
CC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1=NC=C(C(=O)[O-])S1	REAL300003429119	1	50	0.0	-69.64	412.81	9.23	-60.41
CC(C)[N@@H+]1CCCC(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C1	REAL300003429254	0	45	0.0	-60.30	354.49	6.78	-53.52
CC(C)[N@H+]1CCCC(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C1	REAL300003429254	1	45	0.0	-64.24	360.74	6.57	-57.67
CC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=NC=C(C(=O)[O-])S1	REAL300003429255	0	39	0.0	-75.52	346.15	5.52	-70.00
CC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=NC=C(C(=O)[O-])S1	REAL300003429255	1	39	0.0	-74.47	332.04	5.52	-68.95
CC1=C(C)[NH+]=C(CCC(=O)NC(C)C2=NC=C(C(=O)[O-])S2)N1	REAL300003429279	1	40	0.0	-61.99	352.08	5.06	-56.93
CC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=NC=C(C(=O)[O-])S1	REAL300003429779	0	45	0.0	-72.88	382.48	8.11	-64.77
CC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300003429787	0	46	0.0	-72.64	389.79	7.08	-65.56
CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=NC=C(C(=O)[O-])S1	REAL300003429888	0	52	0.0	-68.70	421.55	9.73	-58.97
CC(NC(=O)C1=CC=C(CN2CCOC(C)C2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300003429890	0	50	0.0	-74.99	407.36	7.44	-67.55
CC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300003429890	1	50	0.0	-75.14	407.35	7.45	-67.69
CC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300003429890	1	50	0.0	-75.14	407.35	7.45	-67.69
CC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=NC=C(C(=O)[O-])S1	REAL300003429936	0	45	0.0	-61.69	354.15	6.49	-55.20
CC1=[NH+]C=C2C=CC(C(=O)NC(C)C3=NC=C(C(=O)[O-])S3)=CN21	REAL300003429940	0	37	0.0	-63.86	333.42	7.07	-56.79
CC(C)C[N@@H+]1CCCC(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C1	REAL300003430004	0	48	0.0	-66.39	383.22	7.50	-58.89
CC(C)C[N@H+]1CCCC(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C1	REAL300003430004	1	48	0.0	-62.44	376.76	7.71	-54.73
CC[N@@H+]1CCCC(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C1	REAL300003430005	0	42	0.0	-65.46	344.07	6.06	-59.40
CC[N@H+]1CCCC(C(=O)NC(C)C2=NC=C(C(=O)[O-])S2)C1	REAL300003430005	1	42	0.0	-61.27	337.82	6.26	-55.01
CC(NC(=O)C1=CC=C(C[NH+](C)C)O1)C1=NC=C(C(=O)[O-])S1	REAL300003430011	1	39	0.0	-70.68	346.40	5.58	-65.10
CC(NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C1=NC=C(C(=O)[O-])S1	REAL300003430016	0	48	0.0	-70.57	364.18	6.47	-64.10
CC(NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C1=NC=C(C(=O)[O-])S1	REAL300003430016	1	48	0.0	-69.65	371.83	6.91	-62.74
CC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=NC=C(C(=O)[O-])S1	REAL300003430019	1	41	0.0	-62.18	337.94	6.47	-55.71
CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=NC=C(C(=O)[O-])S1	REAL300003430019	1	41	0.0	-61.34	339.93	7.08	-54.26
O=C([O-])[C@]12CN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)C[C@H]1CCCC2	REAL300003431291	0	57	0.0	-73.93	410.84	11.90	-62.03
O=C([O-])[C@]12CN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)C[C@H]1CCCC2	REAL300003432009	0	54	0.0	-55.40	388.24	11.21	-44.19
O=C([O-])[C@]12CN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)C[C@H]1CCCC2	REAL300003432009	1	54	0.0	-65.81	388.91	11.05	-54.76
O=C([O-])[C@]12CN(C(=O)C3CCC[N@@H+]3CC3=CC=C(Cl)C=C3)C[C@H]1CCCC2	REAL300003432871	1	54	0.0	-64.47	405.01	11.55	-52.92
O=C([O-])[C@]12CN(C(=O)C3CCC[N@H+]3CC3=CC=C(Cl)C=C3)C[C@H]1CCCC2	REAL300003432871	1	54	0.0	-63.67	410.10	12.15	-51.52
O=C([O-])[C@]12CN(C(=O)C3CC[NH+](C4CC4)CC3)C[C@H]1CCCC2	REAL300003432956	0	51	0.0	-70.36	359.49	9.59	-60.77
O=C([O-])[C@]12CN(C(=O)C3CCC[N@@H+]3C3CC3)C[C@H]1CCCC2	REAL300003432986	0	48	0.0	-56.36	338.65	8.88	-47.48
O=C([O-])[C@]12CN(C(=O)C3CCC[N@H+]3C3CC3)C[C@H]1CCCC2	REAL300003432986	1	48	0.0	-66.90	341.66	8.91	-57.99
CC1=[NH+]C=C2CCC(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)CN12	REAL300003432992	1	49	0.0	-64.16	360.46	9.57	-54.59
O=C([O-])[C@]12CN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)C[C@H]1CCCC2	REAL300003432993	0	57	0.0	-59.46	405.41	11.88	-47.58
CC1=NC(C[NH+]2CCC(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)CC2)=CS1	REAL300003433071	1	56	0.0	-78.89	416.81	9.70	-69.19
CC(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300003433072	1	52	0.0	-74.30	361.96	6.89	-67.41
C[NH+](C)CCOC1=CC=C(CCC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C=C1	REAL300003433159	0	60	0.0	-76.74	444.77	11.89	-64.85
CC1(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003433172	0	60	0.0	-65.39	415.95	12.00	-53.39
O=C([O-])[C@]12CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C[C@H]1CCCC2	REAL300003433230	0	42	0.0	-66.75	319.47	10.07	-56.68
C[NH+](C)CC1(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CCCCC1	REAL300003433263	0	56	0.0	-51.30	363.35	9.91	-41.39
C[N@H+](CCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C1CCCCC1	REAL300003433268	0	56	0.0	-73.28	391.35	10.57	-62.71
C[N@@H+](CCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C1CCCCC1	REAL300003433268	1	56	0.0	-69.49	390.93	10.83	-58.66
O=C([O-])[C@]12CN(C(=O)C3CCCC[N@@H+]3CC3=CC=C(F)C=C3)C[C@H]1CCCC2	REAL300003433289	1	57	0.0	-66.42	416.66	12.39	-54.03
O=C([O-])[C@]12CN(C(=O)C3CCCC[N@H+]3CC3=CC=C(F)C=C3)C[C@H]1CCCC2	REAL300003433289	1	57	0.0	-56.53	415.91	12.39	-44.14
O=C([O-])[C@]12CN(C(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)C[C@H]1CCCC2	REAL300003433290	1	54	0.0	-65.32	394.69	11.10	-54.22
O=C([O-])[C@]12CN(C(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)C[C@H]1CCCC2	REAL300003433290	1	54	0.0	-64.42	399.79	11.69	-52.73
O=C([O-])[C@]12CN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)C[C@H]1CCCC2	REAL300003433347	0	50	0.0	-90.10	378.85	9.32	-80.78
O=C([O-])[C@]12CN(C(=O)C3CCCC[N@@H+]3C3CCCC3)C[C@H]1CCCC2	REAL300003433372	0	57	0.0	-60.10	381.65	10.78	-49.32
O=C([O-])[C@]12CN(C(=O)C3CCCC[N@H+]3C3CCCC3)C[C@H]1CCCC2	REAL300003433372	1	57	0.0	-65.55	385.25	10.85	-54.70
O=C([O-])[C@]12CN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C[C@H]1CCCC2	REAL300003433373	0	58	0.0	-78.56	400.08	8.97	-69.59
CC1=[NH+]C=CN1CCCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433404	1	48	0.0	-70.78	363.56	10.15	-60.63
O=C([O-])[C@]12CN(C(=O)CCCC[NH+]3CCOCC3)C[C@H]1CCCC2	REAL300003433405	1	54	0.0	-72.10	389.34	8.51	-63.59
CC[N@H+](CC1=CC=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C=C1)C(C)C	REAL300003433407	0	59	0.0	-86.46	414.36	11.72	-74.74
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C=C1)C(C)C	REAL300003433407	1	59	0.0	-86.97	407.29	11.37	-75.60
O=C([O-])[C@]12CN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)C[C@H]1CCCC2	REAL300003433432	0	54	0.0	-70.87	392.56	11.39	-59.48
O=C([O-])[C@]12CN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)C[C@H]1CCCC2	REAL300003433432	1	54	0.0	-72.32	395.82	11.33	-60.99
O=C([O-])[C@]12CN(C(=O)C3CC[NH+](C4CCSC4)CC3)C[C@H]1CCCC2	REAL300003433433	0	55	0.0	-83.00	388.91	10.49	-72.51
C[NH+]1CCN(C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300003433461	1	59	0.0	-69.30	422.57	9.81	-59.49
O=C([O-])[C@]12CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C[C@H]1CCCC2	REAL300003433462	0	58	0.0	-71.38	389.50	9.01	-62.37
CCC(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)[NH+](CC)CC	REAL300003433466	0	52	0.0	-61.82	354.66	9.14	-52.68
CC(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300003433468	0	53	0.0	-61.77	384.86	11.04	-50.73
CC(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003433468	1	53	0.0	-58.88	385.95	11.10	-47.78
O=C([O-])[C@]12CN(C(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)C[C@H]1CCCC2	REAL300003433479	0	60	0.0	-77.07	426.05	13.01	-64.06
O=C([O-])[C@]12CN(C(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)C[C@H]1CCCC2	REAL300003433479	1	60	0.0	-72.93	429.99	12.88	-60.05
C[NH+](C)CC1=CC=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C=N1	REAL300003433505	0	49	0.0	-76.09	362.28	8.56	-67.53
CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433515	0	58	0.0	-71.80	415.11	11.46	-60.34
O=C([O-])[C@]12CN(C(=O)C(C3=CC=CC=C3)[NH+]3CCC(O)CC3)C[C@H]1CCCC2	REAL300003433516	1	58	0.0	-55.12	419.78	9.11	-46.01
CC[N@H+](C)C(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003433517	0	53	0.0	-60.37	377.70	11.00	-49.37
CC[N@@H+](C)C(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003433517	1	53	0.0	-52.58	380.45	11.16	-41.42
CC[NH+](CC)C(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003433522	0	56	0.0	-66.40	388.18	11.06	-55.34
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433529	1	48	0.0	-64.74	357.88	9.69	-55.05
C[NH+](C)C(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300003433533	1	50	0.0	-67.94	380.84	10.98	-56.96
O=C([O-])[C@]12CN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)C[C@H]1CCCC2	REAL300003433546	0	54	0.0	-90.18	392.07	11.33	-78.85
O=C([O-])[C@]12CN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)C[C@H]1CCCC2	REAL300003433553	0	57	0.0	-74.56	406.70	12.04	-62.52
CCN1CCC([NH+]2CCC(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)CC2)CC1	REAL300003433559	0	65	0.0	-71.80	440.95	9.44	-62.36
O=C([O-])[C@]12CN(C(=O)CC3C[N@H+](CC4=CC=CC=C4)CCO3)C[C@H]1CCCC2	REAL300003433579	1	58	0.0	-78.33	427.10	11.69	-66.64
O=C([O-])[C@]12CN(C(=O)CC3C[N@@H+](CC4=CC=CC=C4)CCO3)C[C@H]1CCCC2	REAL300003433579	1	58	0.0	-80.72	420.16	11.74	-68.98
O=C([O-])[C@]12CN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)C[C@H]1CCCC2	REAL300003433594	0	57	0.0	-56.73	398.32	11.88	-44.85
O=C([O-])[C@]12CN(C(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)C[C@H]1CCCC2	REAL300003433594	1	57	0.0	-62.12	399.91	11.67	-50.45
CC1=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300003433596	1	48	0.0	-83.57	363.88	8.61	-74.96
O=C([O-])[C@]12CN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)C[C@H]1CCCC2	REAL300003433604	0	57	0.0	-90.24	408.81	12.04	-78.20
O=C([O-])[C@]12CN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)C[C@H]1CCCC2	REAL300003433617	1	50	0.0	-77.82	371.37	9.47	-68.35
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C=C1	REAL300003433618	0	53	0.0	-93.89	389.75	11.03	-82.86
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433630	1	46	0.0	-62.09	342.48	7.79	-54.30
O=C([O-])[C@]12CN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)C[C@H]1CCCC2	REAL300003433631	1	55	0.0	-51.72	394.60	10.90	-40.82
O=C([O-])[C@]12CN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)C[C@H]1CCCC2	REAL300003433631	1	55	0.0	-65.81	400.35	10.94	-54.87
CC(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003433643	0	63	0.0	-64.80	449.41	13.63	-51.17
CC(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)[NH+]1CCSCC1	REAL300003433689	1	48	0.0	-65.23	349.88	9.13	-56.10
C[N@H+](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)CC(C)(C)C	REAL300003433695	0	52	0.0	-68.77	360.77	9.36	-59.41
C[N@@H+](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)CC(C)(C)C	REAL300003433695	1	52	0.0	-68.17	362.70	9.52	-58.65
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433697	0	53	0.0	-63.95	392.49	11.60	-52.35
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433697	1	53	0.0	-65.39	391.96	11.54	-53.85
COCCOCC[N@H+](C)CCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433698	0	57	0.0	-67.95	420.63	7.85	-60.10
COCCOCC[N@@H+](C)CCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433698	1	57	0.0	-72.01	420.68	7.87	-64.14
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1	REAL300003433702	0	51	0.0	-68.48	353.23	7.44	-61.04
C[N@H+]1CCCC(O)(CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1	REAL300003433702	1	51	0.0	-71.53	350.39	7.47	-64.06
O=C([O-])[C@]12CN(C(=O)CCC[NH+]3CCN(C4=CC=CC=C4)CC3)C[C@H]1CCCC2	REAL300003433719	0	62	0.0	-75.00	445.00	11.29	-63.71
O=C([O-])[C@]12CN(C(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)C[C@H]1CCCC2	REAL300003433720	1	56	0.0	-66.53	405.25	10.56	-55.97
O=C([O-])[C@]12CN(C(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)C[C@H]1CCCC2	REAL300003433720	1	56	0.0	-69.15	396.22	10.30	-58.85
O=C([O-])[C@]12CN(C(=O)C3CCCC[N@@H+]3CC3=CC=CN=C3)C[C@H]1CCCC2	REAL300003433721	1	56	0.0	-60.21	393.14	10.03	-50.18
O=C([O-])[C@]12CN(C(=O)C3CCCC[N@H+]3CC3=CC=CN=C3)C[C@H]1CCCC2	REAL300003433721	1	56	0.0	-67.04	396.31	10.28	-56.76
CCCCCC[N@H+](C)CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433723	0	55	0.0	-70.51	396.66	10.72	-59.79
CCCCCC[N@@H+](C)CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433723	1	55	0.0	-70.32	396.65	10.72	-59.60
O=C([O-])[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1CCCC2	REAL300003433733	0	48	0.0	-61.49	328.07	8.49	-53.00
O=C([O-])[C@]12CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C[C@H]1CCCC2	REAL300003433741	1	42	0.0	-73.47	325.65	10.29	-63.18
C[N@H+](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C1CCSC1	REAL300003433758	0	48	0.0	-72.97	352.88	9.16	-63.81
C[N@@H+](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C1CCSC1	REAL300003433758	1	48	0.0	-65.47	352.18	9.33	-56.14
CC(C)[NH+]1CCN(CCC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1	REAL300003433773	0	58	0.0	-69.80	404.97	8.29	-61.51
CC(C)N1CC[NH+](CCC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1	REAL300003433773	1	58	0.0	-67.76	404.36	8.21	-59.55
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1	REAL300003433774	0	61	0.0	-68.59	423.88	8.67	-59.92
CC(C)N1CC[NH+](CCCC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1	REAL300003433774	1	61	0.0	-70.66	424.37	8.96	-61.70
O=C([O-])[C@]12CN(C(=O)C3CCCC4CCC[N@@H+]43)C[C@H]1CCCC2	REAL300003433775	0	51	0.0	-61.93	348.14	9.30	-52.63
O=C([O-])[C@]12CN(C(=O)C3CCCC4CCC[N@H+]43)C[C@H]1CCCC2	REAL300003433775	1	51	0.0	-65.99	345.35	9.14	-56.85
C[NH+](C)CCN1C=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C=N1	REAL300003433777	0	50	0.0	-86.81	372.10	8.29	-78.52
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)CC2)=C1	REAL300003433785	0	62	0.0	-71.71	446.75	11.24	-60.47
O=C([O-])[C@]12CN(C(=O)CC[NH+]3CCN(C4=CC=CC=C4)CC3)C[C@H]1CCCC2	REAL300003433787	0	59	0.0	-72.05	423.50	10.49	-61.56
O=C([O-])[C@]12CN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)C[C@H]1CCCC2	REAL300003433790	0	56	0.0	-78.20	396.72	10.01	-68.19
O=C([O-])[C@]12CN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)C[C@H]1CCCC2	REAL300003433790	1	56	0.0	-67.38	398.37	10.33	-57.05
CC(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003433795	1	54	0.0	-48.16	389.55	11.44	-36.72
CC(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003433795	1	54	0.0	-63.79	384.19	11.34	-52.45
CCC(CC)C(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300003433812	1	60	0.0	-54.96	388.40	9.23	-45.73
O=C([O-])[C@]12CN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)C[C@H]1CCCC2	REAL300003433819	0	57	0.0	-78.67	418.15	12.24	-66.43
O=C([O-])[C@]12CN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)C[C@H]1CCCC2	REAL300003433819	1	57	0.0	-76.53	417.06	12.39	-64.14
C[NH+](C)CCN1C=CC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)=N1	REAL300003433835	0	50	0.0	-93.60	374.10	8.97	-84.63
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433836	0	50	0.0	-65.77	367.27	8.40	-57.37
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433842	1	51	0.0	-60.09	376.95	10.11	-49.98
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC[N@@H+]1C	REAL300003433845	0	50	0.0	-69.17	345.02	8.68	-60.49
CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC[N@H+]1C	REAL300003433845	1	50	0.0	-67.90	351.74	9.09	-58.81
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)=NN1	REAL300003433848	1	51	0.0	-84.64	375.17	8.46	-76.18
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)=NN1	REAL300003433848	1	51	0.0	-78.95	375.73	8.24	-70.71
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433849	0	46	0.0	-55.38	337.04	8.87	-46.51
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433849	1	46	0.0	-57.66	343.83	9.31	-48.35
CC1C[N@H+](C)CC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)O1	REAL300003433857	1	48	0.0	-82.61	337.36	7.50	-75.11
CC1C[N@@H+](C)CC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)O1	REAL300003433857	1	48	0.0	-61.32	337.64	8.12	-53.20
O=C([O-])[C@]12CN(C(=O)C3CCC[N@H+](CC4=CC=CC(F)=C4)C3)C[C@H]1CCCC2	REAL300003433863	0	57	0.0	-71.15	419.41	12.13	-59.02
O=C([O-])[C@]12CN(C(=O)C3CCC[N@@H+](CC4=CC=CC(F)=C4)C3)C[C@H]1CCCC2	REAL300003433863	1	57	0.0	-73.20	418.26	11.99	-61.21
O=C([O-])[C@]12CN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)C[C@H]1CCCC2	REAL300003433864	1	53	0.0	-55.44	387.71	9.76	-45.68
O=C([O-])[C@]12CN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)C[C@H]1CCCC2	REAL300003433864	1	53	0.0	-70.17	385.17	9.56	-60.61
CC(C[NH+]1CCOCC1)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433869	0	51	0.0	-71.76	362.84	7.54	-64.22
O=C([O-])[C@]12CN(C(=O)CC[NH+]3CCN(C4=CC=CC=N4)CC3)C[C@H]1CCCC2	REAL300003433870	0	58	0.0	-72.41	423.04	9.99	-62.42
CC1CC[NH+](CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1	REAL300003433880	0	50	0.0	-62.02	355.05	9.69	-52.33
CC[N@@H+]1CCOC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1	REAL300003433895	1	48	0.0	-63.80	336.36	7.71	-56.09
CC[N@H+]1CCOC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1	REAL300003433895	1	48	0.0	-74.73	343.38	7.91	-66.82
O=C([O-])[C@]12CN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)C[C@H]1CCCC2	REAL300003433935	0	57	0.0	-71.92	396.06	10.75	-61.17
O=C([O-])[C@]12CN(C(=O)C3CC[N@H+](C4CCCCC4)C3)C[C@H]1CCCC2	REAL300003433935	1	57	0.0	-59.80	392.73	10.65	-49.15
C[N@@H+]1CCCC1CCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433942	0	50	0.0	-72.16	354.39	9.27	-62.89
C[N@H+]1CCCC1CCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433942	1	50	0.0	-72.30	360.42	9.35	-62.95
O=C([O-])[C@]12CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]1CCCC2	REAL300003433955	0	51	0.0	-74.36	337.13	8.52	-65.84
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433959	0	48	0.0	-60.21	335.68	4.73	-55.48
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433959	1	48	0.0	-64.91	335.38	4.73	-60.18
O=C([O-])[C@]12CN(C(=O)C3CCC4CCCC[N@@H+]43)C[C@H]1CCCC2	REAL300003433960	0	51	0.0	-58.06	356.29	9.91	-48.15
O=C([O-])[C@]12CN(C(=O)C3CCC4CCCC[N@H+]43)C[C@H]1CCCC2	REAL300003433960	1	51	0.0	-59.55	350.34	9.29	-50.26
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003433968	0	54	0.0	-72.74	362.38	7.44	-65.30
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C=N1	REAL300003433973	0	57	0.0	-82.07	398.35	8.96	-73.11
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C=N1	REAL300003433973	1	57	0.0	-82.26	402.59	9.49	-72.77
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)=C2)CC1	REAL300003433978	0	59	0.0	-72.81	425.73	9.48	-63.33
C[NH+]1CCN(CC2=CC=C(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)C=C2)CC1	REAL300003433979	0	59	0.0	-71.30	423.90	9.41	-61.89
CN1CC[NH+](CC2=CC=C(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)C=C2)CC1	REAL300003433979	1	59	0.0	-91.16	425.34	9.49	-81.67
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C=C1	REAL300003433980	0	60	0.0	-89.98	432.24	11.29	-78.69
CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1	REAL300003433988	0	53	0.0	-72.88	363.55	9.32	-63.56
O=C([O-])[C@]12CN(C(=O)C34CC[N@H+](C3)CCC4)C[C@H]1CCCC2	REAL300003434075	0	48	0.0	-64.47	323.53	7.70	-56.77
O=C([O-])[C@]12CN(C(=O)C34CC[N@@H+](C3)CCC4)C[C@H]1CCCC2	REAL300003434075	1	48	0.0	-68.59	325.28	7.77	-60.82
CC1CCC(C)[NH+]1CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003434128	0	50	0.0	-56.73	338.71	8.51	-48.22
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)=C1	REAL300003434129	0	50	0.0	-79.57	367.17	10.23	-69.34
O=C([O-])[C@]12CN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)C[C@H]1CCCC2	REAL300003434130	0	57	0.0	-58.29	403.98	12.34	-45.95
O=C([O-])[C@]12CN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)C[C@H]1CCCC2	REAL300003434130	1	57	0.0	-65.24	403.55	12.31	-52.93
C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1	REAL300003434200	0	49	0.0	-77.34	357.55	9.52	-67.82
CCC[N@@H+]1CCCCC1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003434202	0	53	0.0	-65.76	364.03	9.88	-55.88
CCC[N@H+]1CCCCC1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003434202	1	53	0.0	-59.85	361.18	9.59	-50.26
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003434203	0	50	0.0	-39.06	364.58	10.34	-28.72
CC[NH+]1CCN(CCC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1	REAL300003434205	0	55	0.0	-71.44	388.22	7.77	-63.67
CCN1CC[NH+](CCC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1	REAL300003434205	1	55	0.0	-67.76	388.14	7.68	-60.08
CC(C)C(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300003434207	0	56	0.0	-61.55	376.54	10.40	-51.15
C[NH+](C)C(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003434208	1	50	0.0	-65.97	361.83	10.23	-55.74
O=C([O-])[C@]12CN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)C[C@H]1CCCC2	REAL300003434212	0	55	0.0	-68.88	402.83	8.49	-60.39
O=C([O-])[C@]12CN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)C[C@H]1CCCC2	REAL300003434212	1	55	0.0	-67.53	402.18	8.30	-59.23
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003434218	1	51	0.0	-59.03	376.52	10.07	-48.96
C[NH+](C)CC1=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300003434219	0	53	0.0	-57.74	388.62	11.09	-46.65
O=C([O-])[C@]12CN(C(=O)C3CCC[N@@H+]3C3CCCC3)C[C@H]1CCCC2	REAL300003434225	0	54	0.0	-57.89	352.40	9.93	-47.96
O=C([O-])[C@]12CN(C(=O)C3CCC[N@H+]3C3CCCC3)C[C@H]1CCCC2	REAL300003434225	1	54	0.0	-62.57	377.15	10.45	-52.12
O=C([O-])[C@]12CN(C(=O)C(C3=CC=CC=C3)[NH+]3CCSCC3)C[C@H]1CCCC2	REAL300003434254	1	55	0.0	-63.82	402.75	11.77	-52.05
CC(C)C(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300003434255	1	60	0.0	-66.44	405.17	9.66	-56.78
CC(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300003434256	0	53	0.0	-56.07	359.42	9.38	-46.69
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)=CC=C1N2	REAL300003434294	1	55	0.0	-77.54	398.53	10.52	-67.02
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)=CC=C1N2	REAL300003434294	1	55	0.0	-65.63	402.57	10.46	-55.17
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)O1	REAL300003434350	0	53	0.0	-81.94	389.26	10.46	-71.48
O=C([O-])[C@]12CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]1CCCC2	REAL300003434351	0	53	0.0	-71.24	382.03	10.46	-60.78
CC1=CC=C(N2CCC(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300003434353	1	56	0.0	-64.03	406.14	9.88	-54.15
C[N@H+](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300003434354	1	50	0.0	-73.09	368.83	10.55	-62.54
C[N@@H+](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300003434354	1	50	0.0	-72.88	369.63	10.55	-62.33
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)C=C2)CC1	REAL300003434358	0	62	0.0	-91.04	435.29	10.60	-80.44
O=C([O-])[C@]12CN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C[C@H]1CCCC2	REAL300003434377	1	45	0.0	-84.36	347.08	8.23	-76.13
C[NH+](C)CC1=CC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)=NO1	REAL300003434409	1	46	0.0	-79.65	346.00	8.32	-71.33
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003434413	0	57	0.0	-80.33	409.85	11.68	-68.65
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003434413	1	57	0.0	-80.26	411.18	11.79	-68.47
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003434432	0	50	0.0	-66.85	330.11	8.75	-58.10
CC(C)[N@H+]1CCCC1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003434432	1	50	0.0	-63.28	342.37	9.42	-53.86
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C=C1	REAL300003434439	0	58	0.0	-79.61	433.21	11.43	-68.18
C[NH+]1CCC(OCC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1	REAL300003434460	0	51	0.0	-78.67	372.88	9.13	-69.54
O=C([O-])[C@]12CN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)C[C@H]1CCCC2	REAL300003434465	0	54	0.0	-76.42	394.16	10.55	-65.87
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003434510	0	56	0.0	-57.36	399.96	9.85	-47.51
CC(C)(C)[N@H+]1C[C@H](C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003434510	1	56	0.0	-63.51	401.83	9.98	-53.53
CCC[N@@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1	REAL300003434662	0	53	0.0	-62.42	366.04	10.14	-52.28
CCC[N@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1	REAL300003434662	1	53	0.0	-74.11	366.34	9.99	-64.12
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003434695	0	53	0.0	-60.85	362.75	10.05	-50.80
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	REAL300003434695	1	53	0.0	-65.04	363.59	10.34	-54.70
O=C([O-])[C@]12CN(C(=O)C[NH+]3CCC(CO)CC3)C[C@H]1CCCC2	REAL300003434696	0	51	0.0	-62.22	365.93	6.39	-55.83
O=C([O-])[C@]12CN(C(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)C[C@H]1CCCC2	REAL300003434798	0	58	0.0	-70.83	417.22	12.25	-58.58
O=C([O-])[C@]12CN(C(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)C[C@H]1CCCC2	REAL300003434798	1	58	0.0	-70.74	419.19	12.44	-58.30
O=C([O-])[C@]12CN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC(F)=C3)C[C@H]1CCCC2	REAL300003434839	1	57	0.0	-60.42	404.70	11.95	-48.47
O=C([O-])[C@]12CN(C(=O)C3CCCC[N@H+]3CC3=CC=CC(F)=C3)C[C@H]1CCCC2	REAL300003434839	1	57	0.0	-65.84	404.00	11.61	-54.23
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1	REAL300003434936	0	53	0.0	-69.63	367.17	9.51	-60.12
CC(C)[N@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1	REAL300003434936	1	53	0.0	-62.10	369.02	9.53	-52.57
C[N@@H+]1CC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003434937	0	47	0.0	-67.86	352.50	8.74	-59.12
C[N@H+]1CC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003434937	1	47	0.0	-81.04	346.64	8.43	-72.61
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)N1	REAL300003434961	1	48	0.0	-63.93	363.65	8.57	-55.36
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)=C1	REAL300003435466	0	53	0.0	-78.64	389.83	11.16	-67.48
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C=C1	REAL300003435474	0	54	0.0	-91.42	397.07	9.97	-81.45
O=C([O-])[C@]12CN(C(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)C[C@H]1CCCC2	REAL300003435575	0	60	0.0	-74.30	432.13	13.19	-61.11
CC1CN(CC2=CC=C(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)C=C2)CCO1	REAL300003435577	0	58	0.0	-92.27	414.61	10.34	-81.93
CC1C[N@H+](CC2=CC=C(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)C=C2)CCO1	REAL300003435577	1	58	0.0	-89.80	421.49	10.53	-79.27
CC1C[N@@H+](CC2=CC=C(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)C=C2)CCO1	REAL300003435577	1	58	0.0	-89.80	421.49	10.53	-79.27
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1	REAL300003435624	0	53	0.0	-68.47	361.46	9.56	-58.91
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)=CN21	REAL300003435628	0	45	0.0	-66.02	348.54	10.13	-55.89
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1	REAL300003435692	0	56	0.0	-59.02	393.44	10.85	-48.17
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1	REAL300003435692	1	56	0.0	-66.99	389.78	10.67	-56.32
CC[N@@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1	REAL300003435693	0	50	0.0	-71.13	350.30	8.97	-62.16
CC[N@H+]1CCCC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1	REAL300003435693	1	50	0.0	-69.11	353.95	9.13	-59.98
C[NH+](C)CC1=CC=C(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)O1	REAL300003435699	1	47	0.0	-78.45	352.57	8.67	-69.78
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1	REAL300003435705	0	56	0.0	-83.75	366.77	8.94	-74.81
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1	REAL300003435705	1	56	0.0	-90.20	376.35	9.75	-80.45
O=C([O-])[C@]12CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C[C@H]1CCCC2	REAL300003435708	1	49	0.0	-67.85	337.74	9.04	-58.81
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C3CC[NH+](C4CC4)CC3)C2)S1	REAL300003436397	0	42	0.0	-75.18	352.95	9.47	-65.71
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C3CCC[N@@H+]3C3CC3)C2)S1	REAL300003436409	0	39	0.0	-71.21	337.40	8.76	-62.45
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C3CCC[N@H+]3C3CC3)C2)S1	REAL300003436409	1	39	0.0	-70.91	335.53	8.63	-62.28
C[NH+](C)CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436441	0	31	0.0	-75.45	286.21	6.85	-68.60
C[N@@H+]1CCCCC1C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436442	1	38	0.0	-69.80	327.17	8.38	-61.42
C[N@H+]1CCCCC1C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436442	1	38	0.0	-71.91	314.47	7.89	-64.02
C[N@@H+]1CCCC[C@H]1C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436459	1	38	0.0	-69.84	327.21	8.38	-61.46
C[N@H+]1CCCC[C@H]1C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436459	1	38	0.0	-72.03	314.82	7.92	-64.11
C[NH+]1CCC(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)CC1	REAL300003436476	0	38	0.0	-77.92	330.76	8.37	-69.55
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)C2)S1	REAL300003436493	0	33	0.0	-74.95	320.88	10.21	-64.74
C[N@@H+]1CCCC1C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436517	0	35	0.0	-72.33	305.00	7.32	-65.01
C[N@H+]1CCCC1C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436517	1	35	0.0	-70.70	308.01	7.66	-63.04
C[NH+]1CCC(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)CC1	REAL300003436544	0	38	0.0	-77.92	330.76	8.37	-69.55
CC1=[NH+]C=CN1CCCC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436565	1	39	0.0	-71.73	357.19	9.77	-61.96
C[C@@H](C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2)[NH+](C)C	REAL300003436569	0	34	0.0	-72.05	301.49	7.12	-64.93
C[N@@H+]1CCC[C@@H]1C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436570	0	35	0.0	-72.33	305.01	7.33	-65.00
C[N@H+]1CCC[C@@H]1C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436570	1	35	0.0	-70.69	307.88	7.66	-63.03
C[C@H](C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2)[NH+](C)C	REAL300003436574	0	34	0.0	-72.17	302.28	7.16	-65.01
C[NH+](C)C1(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)CC1	REAL300003436582	0	35	0.0	-73.74	307.33	7.53	-66.21
CCC(C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2)[NH+](CC)CC	REAL300003436629	0	43	0.0	-66.60	348.27	9.02	-57.58
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436646	1	39	0.0	-68.98	351.98	9.57	-59.41
C[NH+](C)CC1(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)CC1	REAL300003436653	0	38	0.0	-73.81	327.47	8.61	-65.20
C[NH+](C)CCCCC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436657	0	40	0.0	-76.19	351.58	9.00	-67.19
CC(C)C(C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2)[NH+](C)C	REAL300003436666	0	40	0.0	-70.62	326.45	8.21	-62.41
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436676	1	37	0.0	-66.20	335.46	7.43	-58.77
CCC[N@H+](C)CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436680	0	37	0.0	-74.86	325.45	8.26	-66.60
CCC[N@@H+](C)CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436680	1	37	0.0	-74.86	325.45	8.25	-66.61
C[N@H+](CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2)C1CCC1	REAL300003436690	0	38	0.0	-72.09	332.44	8.83	-63.26
C[N@@H+](CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2)C1CCC1	REAL300003436690	1	38	0.0	-72.45	332.34	8.81	-63.64
C[N@H+](CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2)CC(C)(C)C	REAL300003436699	0	43	0.0	-74.35	355.84	9.34	-65.01
C[N@@H+](CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2)CC(C)(C)C	REAL300003436699	1	43	0.0	-74.35	355.84	9.33	-65.02
CC[C@@H](C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2)[NH+](C)C	REAL300003436701	0	37	0.0	-72.04	314.01	7.83	-64.21
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C34CCC[NH+]3CCC4)C2)S1	REAL300003436725	0	39	0.0	-68.04	322.55	8.23	-59.81
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C3=CC4=C[NH+]=CN4C=C3)C2)S1	REAL300003436731	1	33	0.0	-76.93	320.97	10.25	-66.68
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C3CCCC4CCC[N@@H+]43)C2)S1	REAL300003436746	0	42	0.0	-69.22	337.76	8.89	-60.33
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C3CCCC4CCC[N@H+]43)C2)S1	REAL300003436746	1	42	0.0	-69.25	337.80	8.89	-60.36
CCCC(C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2)[NH+](C)C	REAL300003436758	0	40	0.0	-71.54	336.62	8.53	-63.01
C[C@@H]1[C@H](C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)CC[N@@H+]1C	REAL300003436765	0	38	0.0	-76.03	322.60	8.13	-67.90
C[C@@H]1[C@H](C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)CC[N@H+]1C	REAL300003436765	1	38	0.0	-76.86	328.32	8.06	-68.80
CC[C@@H]1[C@@H](C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)CC[N@@H+]1C	REAL300003436768	0	41	0.0	-75.71	338.09	8.32	-67.39
CC[C@@H]1[C@@H](C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)CC[N@H+]1C	REAL300003436768	1	41	0.0	-74.71	347.97	8.92	-65.79
CC1C[N@H+](C)CC(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)O1	REAL300003436773	1	39	0.0	-74.51	332.91	7.68	-66.83
CC1C[N@@H+](C)CC(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)O1	REAL300003436773	1	39	0.0	-84.36	333.14	7.46	-76.90
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C[NH+]3CCCC3)C2)S1	REAL300003436776	0	35	0.0	-73.49	310.96	7.91	-65.58
CC1=[NH+]C=CN1CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436778	1	33	0.0	-70.58	314.61	8.42	-62.16
CC1CC[NH+](CC(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)CC1	REAL300003436794	0	41	0.0	-75.05	348.80	9.33	-65.72
CC[N@@H+]1CCOC(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)C1	REAL300003436797	1	39	0.0	-67.19	329.18	7.58	-59.61
CC[N@H+]1CCOC(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)C1	REAL300003436797	1	39	0.0	-67.32	329.50	7.59	-59.73
C[N@@H+]1CCCC1CCC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436809	0	41	0.0	-77.15	350.13	9.17	-67.98
C[N@H+]1CCCC1CCC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436809	1	41	0.0	-73.63	348.14	8.89	-64.74
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)S1	REAL300003436814	0	42	0.0	-74.23	332.95	8.49	-65.74
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436815	1	39	0.0	-69.55	327.40	4.39	-65.16
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436815	1	39	0.0	-76.62	324.89	4.56	-72.06
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C3CCC4CCCC[N@@H+]43)C2)S1	REAL300003436816	0	42	0.0	-67.93	350.29	9.59	-58.34
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C3CCC4CCCC[N@H+]43)C2)S1	REAL300003436816	1	42	0.0	-68.10	350.25	9.59	-58.51
CC[NH+](CC)CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436823	0	37	0.0	-72.65	322.31	8.19	-64.46
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C34CC[NH+](CC3)C4)C2)S1	REAL300003436855	0	36	0.0	-76.55	309.76	7.02	-69.53
CCC(C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2)[NH+](C)C	REAL300003436858	0	37	0.0	-72.18	314.56	7.87	-64.31
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C34CC[N@H+](C3)CCC4)C2)S1	REAL300003436860	0	39	0.0	-79.01	318.06	7.65	-71.36
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C34CC[N@@H+](C3)CCC4)C2)S1	REAL300003436860	1	39	0.0	-69.89	318.82	7.69	-62.20
CC1CCC(C)[NH+]1CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436881	0	41	0.0	-69.97	342.95	8.72	-61.25
C[NH+](C)C1(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)CCC1	REAL300003436897	0	38	0.0	-72.64	313.40	7.79	-64.85
C#CC[NH+]1CCC(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)CC1	REAL300003436905	0	40	0.0	-72.85	355.92	9.57	-63.28
CC(C)[N@H+](C)CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436906	0	37	0.0	-71.91	320.64	8.05	-63.86
CC(C)[N@@H+](C)CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436906	1	37	0.0	-71.96	320.64	8.04	-63.92
CC[N@H+](CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2)C1CC1	REAL300003436914	0	38	0.0	-72.70	327.48	8.40	-64.30
CC[N@@H+](CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2)C1CC1	REAL300003436914	1	38	0.0	-71.46	332.27	8.86	-62.60
C[N@@H+]1CCC[C@H]1C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436922	0	35	0.0	-70.32	307.19	7.68	-62.64
C[N@H+]1CCC[C@H]1C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436922	1	35	0.0	-72.35	304.96	7.33	-65.02
CC(C)(C)[NH2+]CC(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436953	0	37	0.0	-73.36	325.17	6.54	-66.82
CC(C)[C@@H](C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2)[NH+](C)C	REAL300003436959	0	40	0.0	-72.34	330.37	8.71	-63.63
CC(C)[N@@H+]1CCCC1C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436983	0	41	0.0	-70.19	336.30	9.07	-61.12
CC(C)[N@H+]1CCCC1C(=O)N1CC2=C(C1)C(Br)=C(C(=O)[O-])S2	REAL300003436983	1	41	0.0	-70.26	336.91	9.27	-60.99
CC1=C(C)[NH+]=C(CCC(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)N1	REAL300003437147	1	39	0.0	-69.35	356.45	8.15	-61.20
C[NH+](C)[C@H]1C[C@H](C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)C1	REAL300003437369	0	38	0.0	-74.69	335.73	8.58	-66.11
CC[N@@H+]1CCCC(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)C1	REAL300003437395	0	41	0.0	-67.34	338.21	9.11	-58.23
CC[N@H+]1CCCC(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)C1	REAL300003437395	1	41	0.0	-67.34	338.21	9.11	-58.23
C[N@@H+]1CCCC(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)C1	REAL300003437399	0	38	0.0	-64.05	320.53	8.45	-55.60
C[N@H+]1CCCC(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)C1	REAL300003437399	1	38	0.0	-64.05	320.53	8.45	-55.60
CN(C)CC1=CC=C(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)O1	REAL300003437401	0	38	0.0	-78.39	348.00	8.63	-69.76
C[NH+](C)CC1=CC=C(C(=O)N2CC3=C(C2)C(Br)=C(C(=O)[O-])S3)O1	REAL300003437401	1	38	0.0	-78.39	348.00	8.63	-69.76
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C34CC(C3)CN4C3CC3)C2)S1	REAL300003437404	0	40	0.0	-69.59	337.87	10.26	-59.33
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)C2)S1	REAL300003437404	1	40	0.0	-69.88	332.42	9.90	-59.98
O=C([O-])C1=C(Br)C2=C(CN(C(=O)C34CC(C3)C[N@H+]4C3CC3)C2)S1	REAL300003437404	1	40	0.0	-69.88	332.42	9.90	-59.98
O=C([O-])C1(N2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CC2)CCOC1	REAL300003438816	0	57	0.0	-62.41	412.10	7.46	-54.95
O=C([O-])C1(N2CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CC2)CCOC1	REAL300003438816	1	57	0.0	-58.79	407.19	7.10	-51.69
O=C([O-])C1(N2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)CCOC1	REAL300003439601	0	54	0.0	-69.28	383.85	5.97	-63.31
O=C([O-])C1(N2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2)CCOC1	REAL300003439626	0	51	0.0	-67.05	362.56	4.93	-62.12
O=C([O-])C1(N2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2)CCOC1	REAL300003439626	1	51	0.0	-61.51	359.27	5.16	-56.35
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C4(C(=O)[O-])CCOC4)CC3)CN12	REAL300003439632	1	52	0.0	-60.80	377.42	5.54	-55.26
C[N@@H+]1CCCCC1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003439709	0	50	0.0	-64.66	350.30	4.53	-60.13
C[N@H+]1CCCCC1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003439709	1	50	0.0	-69.24	342.96	4.27	-64.97
CC(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)N1CC[NH+](C)CC1	REAL300003439710	1	55	0.0	-64.45	386.18	2.88	-61.57
C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003439749	0	50	0.0	-63.44	350.72	4.58	-58.86
C[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003439749	1	50	0.0	-69.62	343.16	4.24	-65.38
C[NH+]1CCC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC1	REAL300003439829	0	50	0.0	-69.91	354.35	4.57	-65.34
O=C([O-])C1(N2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)CCOC1	REAL300003439859	0	45	0.0	-76.07	345.50	6.37	-69.70
C[NH+](C)CC1(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CCCCC1	REAL300003439892	0	59	0.0	-53.67	387.05	5.76	-47.91
C[N@H+](CCC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)C1CCCCC1	REAL300003439897	0	59	0.0	-69.38	408.74	6.65	-62.73
C[N@@H+](CCC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)C1CCCCC1	REAL300003439897	1	59	0.0	-68.50	408.75	6.65	-61.85
C[N@@H+]1CCCC1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003439913	0	47	0.0	-72.70	329.05	3.54	-69.16
C[N@H+]1CCCC1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003439913	1	47	0.0	-67.57	329.23	3.55	-64.02
C[NH+]1CCC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC1	REAL300003439965	0	50	0.0	-69.91	354.35	4.57	-65.34
O=C([O-])C1(N2CCN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)CC2)CCOC1	REAL300003439969	0	53	0.0	-75.71	394.03	5.12	-70.59
O=C([O-])C1(N2CCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CC2)CCOC1	REAL300003439987	0	60	0.0	-61.65	400.40	6.49	-55.16
O=C([O-])C1(N2CCN(C(=O)C3CCCC[N@H+]3C3CCCC3)CC2)CCOC1	REAL300003439987	1	60	0.0	-61.68	399.88	6.60	-55.08
O=C([O-])C1(N2CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)CC2)CCOC1	REAL300003439988	0	61	0.0	-71.33	419.81	5.03	-66.30
CC1=[NH+]C=CN1CCCC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440023	1	51	0.0	-67.21	381.58	5.93	-61.28
O=C([O-])C1(N2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)CCOC1	REAL300003440024	1	57	0.0	-75.02	408.83	4.64	-70.38
C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440029	0	47	0.0	-72.40	328.83	3.56	-68.84
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440029	1	47	0.0	-72.26	330.52	3.79	-68.47
C[NH+](C)C1(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC1	REAL300003440038	0	47	0.0	-61.75	330.58	3.36	-58.39
O=C([O-])C1(N2CCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)CC2)CCOC1	REAL300003440081	0	57	0.0	-69.06	409.86	7.26	-61.80
O=C([O-])C1(N2CCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)CC2)CCOC1	REAL300003440081	1	57	0.0	-70.53	412.07	7.33	-63.20
O=C([O-])C1(N2CCN(C(=O)C3CC[NH+](C4CCSC4)CC3)CC2)CCOC1	REAL300003440082	0	58	0.0	-74.21	408.96	6.57	-67.64
O=C([O-])C1(N2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CC2)CCOC1	REAL300003440104	0	61	0.0	-68.09	407.11	4.89	-63.20
CCC(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[NH+](CC)CC	REAL300003440108	0	55	0.0	-58.99	371.43	5.15	-53.84
CC(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300003440110	0	56	0.0	-62.44	400.39	6.78	-55.66
CC(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300003440110	1	56	0.0	-60.14	402.37	6.90	-53.24
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C=N1	REAL300003440140	0	52	0.0	-80.26	382.28	4.28	-75.98
CCC[NH+](CCC)CCCC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440145	0	61	0.0	-70.65	433.12	7.27	-63.38
CC[N@H+](C)C(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)C1=CC=CC=C1	REAL300003440146	0	56	0.0	-50.90	396.32	6.76	-44.14
CC[N@@H+](C)C(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)C1=CC=CC=C1	REAL300003440146	1	56	0.0	-51.56	396.15	6.80	-44.76
C[N@@H+]1CCOC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003440148	1	48	0.0	-70.67	334.06	2.93	-67.74
C[N@H+]1CCOC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003440148	1	48	0.0	-75.07	336.25	3.03	-72.04
CC[NH+](CC)C(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)C1=CC=CC=C1	REAL300003440150	0	59	0.0	-65.25	406.22	7.19	-58.06
CC(C)C1=[NH+]C=CN1CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440159	1	51	0.0	-61.20	376.07	5.70	-55.50
C[NH+](C)C(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)C1=CC=C(Cl)C=C1	REAL300003440164	1	53	0.0	-59.98	395.19	6.72	-53.26
O=C([O-])C1(N2CCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)CC2)CCOC1	REAL300003440174	0	57	0.0	-75.31	409.40	7.14	-68.17
CCC(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[N@@H+]1CCOC(CC)C1	REAL300003440181	1	60	0.0	-64.49	410.37	4.85	-59.64
CCC(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[N@H+]1CCOC(CC)C1	REAL300003440181	1	60	0.0	-59.79	408.87	5.01	-54.78
C[NH+](C)CC1(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC1	REAL300003440183	0	50	0.0	-75.80	357.45	4.50	-71.30
C[NH+](C)CCCCC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440191	0	52	0.0	-73.62	375.92	5.17	-68.45
CC(C)C(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[NH+](C)C	REAL300003440199	0	52	0.0	-66.99	349.61	4.44	-62.55
CC1=C(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C=NN1C1=CC=[NH+]C=C1	REAL300003440209	1	51	0.0	-76.16	388.14	4.66	-71.50
O=C([O-])C1(N2CCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)CC2)CCOC1	REAL300003440227	1	53	0.0	-77.43	391.73	5.44	-71.99
C[NH+](C)CCC1=CC=C(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C=C1	REAL300003440228	0	56	0.0	-82.72	409.04	6.97	-75.75
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440238	1	49	0.0	-59.30	362.21	3.59	-55.71
CCC[N@H+](C)CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440248	0	49	0.0	-59.85	347.34	4.26	-55.59
CCC[N@@H+](C)CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440248	1	49	0.0	-60.08	347.34	4.27	-55.81
C[N@H+](CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)C1CCC1	REAL300003440270	0	50	0.0	-57.09	354.21	4.84	-52.25
C[N@@H+](CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)C1CCC1	REAL300003440270	1	50	0.0	-58.41	354.35	4.85	-53.56
CC(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[NH+]1CCSCC1	REAL300003440293	1	51	0.0	-62.19	367.83	4.92	-57.27
C[N@H+](CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)CC(C)(C)C	REAL300003440296	0	55	0.0	-59.49	375.92	5.25	-54.24
C[N@@H+](CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)CC(C)(C)C	REAL300003440296	1	55	0.0	-59.46	378.47	5.42	-54.04
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440298	0	56	0.0	-63.58	407.25	7.30	-56.28
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440298	1	56	0.0	-63.35	407.25	7.29	-56.06
COCCOCC[N@H+](C)CCC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440299	0	60	0.0	-70.44	438.78	3.66	-66.78
COCCOCC[N@@H+](C)CCC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440299	1	60	0.0	-69.99	438.79	3.67	-66.32
CC[C@@H](C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[NH+](C)C	REAL300003440303	0	49	0.0	-63.96	336.78	3.88	-60.08
C[N@@H+]1CCCC(O)(CC(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003440305	0	54	0.0	-75.94	377.90	3.51	-72.43
C[N@H+]1CCCC(O)(CC(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003440305	1	54	0.0	-68.27	368.43	3.29	-64.98
CCCCCC[N@H+](C)CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440327	0	58	0.0	-60.96	411.84	6.61	-54.35
CCCCCC[N@@H+](C)CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440327	1	58	0.0	-61.16	411.84	6.62	-54.54
O=C([O-])C1(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CCOC1	REAL300003440337	0	51	0.0	-67.23	340.41	4.29	-62.94
O=C([O-])C1(N2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2)CCOC1	REAL300003440345	1	45	0.0	-75.83	345.62	6.40	-69.43
C[N@H+](CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)C1CCSC1	REAL300003440357	0	51	0.0	-67.83	370.09	5.21	-62.62
C[N@@H+](CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)C1CCSC1	REAL300003440357	1	51	0.0	-69.50	369.61	5.21	-64.29
CC(C)[NH+]1CCN(CCC(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC1	REAL300003440374	0	61	0.0	-68.69	425.68	4.24	-64.45
CC(C)N1CC[NH+](CCC(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC1	REAL300003440374	1	61	0.0	-68.75	422.18	4.03	-64.72
CC(C)[NH+]1CCN(CCCC(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC1	REAL300003440375	0	64	0.0	-70.98	447.17	5.03	-65.95
CC(C)N1CC[NH+](CCCC(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC1	REAL300003440375	1	64	0.0	-71.14	446.57	5.00	-66.14
O=C([O-])C1(N2CCN(C(=O)C3CCCC4CCC[N@@H+]43)CC2)CCOC1	REAL300003440376	0	54	0.0	-65.17	366.12	5.44	-59.73
O=C([O-])C1(N2CCN(C(=O)C3CCCC4CCC[N@H+]43)CC2)CCOC1	REAL300003440376	1	54	0.0	-56.77	375.27	5.71	-51.06
C[NH+](C)CCN1C=C(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C=N1	REAL300003440378	0	53	0.0	-86.95	391.51	4.14	-82.81
CC(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003440392	0	57	0.0	-67.43	402.54	7.38	-60.05
CC(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003440392	1	57	0.0	-62.01	407.39	7.39	-54.62
CCC(CC)C(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[NH+]1CCOCC1	REAL300003440410	1	63	0.0	-62.12	398.27	3.57	-58.55
CCCC(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[NH+](C)C	REAL300003440411	0	52	0.0	-62.22	361.92	4.77	-57.45
C[NH+](C)CCN1C=CC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)=N1	REAL300003440426	0	53	0.0	-85.31	392.20	4.79	-80.52
C[NH+](C)CCN1N=CC=C1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440427	0	53	0.0	-66.02	386.73	4.18	-61.84
C[C@@H]1[C@H](C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC[N@@H+]1C	REAL300003440430	0	50	0.0	-72.21	346.71	4.26	-67.95
C[C@@H]1[C@H](C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC[N@H+]1C	REAL300003440430	1	50	0.0	-73.78	352.38	4.23	-69.55
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440432	1	54	0.0	-62.99	396.28	6.27	-56.72
CC[C@@H]1[C@@H](C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC[N@@H+]1C	REAL300003440435	0	53	0.0	-71.87	364.44	4.55	-67.32
CC[C@@H]1[C@@H](C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC[N@H+]1C	REAL300003440435	1	53	0.0	-71.44	369.50	4.82	-66.62
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)=NN1	REAL300003440437	1	54	0.0	-77.17	385.85	3.80	-73.37
C[N@H+]1CCCC1C1=CC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)=NN1	REAL300003440437	1	54	0.0	-73.66	383.88	3.71	-69.95
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440438	0	49	0.0	-60.78	355.44	4.80	-55.98
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440438	1	49	0.0	-58.81	361.97	5.14	-53.67
CC1C[N@H+](C)CC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)O1	REAL300003440444	1	51	0.0	-80.36	357.65	3.96	-76.40
CC1C[N@@H+](C)CC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)O1	REAL300003440444	1	51	0.0	-81.31	357.27	3.53	-77.78
O=C([O-])C1(N2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)CC2)CCOC1	REAL300003440450	1	56	0.0	-70.88	403.46	5.53	-65.35
O=C([O-])C1(N2CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)CC2)CCOC1	REAL300003440450	1	56	0.0	-61.04	402.82	5.27	-55.77
O=C([O-])C1(N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCOC1	REAL300003440452	0	47	0.0	-59.26	332.28	3.97	-55.29
CC1=[NH+]C=CN1CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440454	1	45	0.0	-63.39	339.71	4.58	-58.81
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440456	0	54	0.0	-67.47	381.23	3.56	-63.91
CC1CC[NH+](CC(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC1	REAL300003440475	0	53	0.0	-65.54	373.53	5.48	-60.06
CC[N@@H+]1CCOC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003440486	1	51	0.0	-76.89	361.49	3.88	-73.01
CC[N@H+]1CCOC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003440486	1	51	0.0	-72.47	354.18	3.72	-68.75
O=C([O-])C1(N2CCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)CC2)CCOC1	REAL300003440522	0	60	0.0	-69.56	413.73	6.80	-62.76
O=C([O-])C1(N2CCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)CC2)CCOC1	REAL300003440522	1	60	0.0	-72.11	410.06	6.83	-65.28
C[N@@H+]1CCCC1CCC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440528	0	53	0.0	-69.24	375.52	5.41	-63.83
C[N@H+]1CCCC1CCC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440528	1	53	0.0	-76.39	372.39	5.09	-71.30
O=C([O-])C1(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)CCOC1	REAL300003440540	0	54	0.0	-72.19	358.81	4.69	-67.50
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440542	0	51	0.0	-65.19	353.29	0.50	-64.69
C[N@H+]1CC(O)CC1(C)C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440542	1	51	0.0	-62.42	347.51	0.09	-62.33
O=C([O-])C1(N2CCN(C(=O)C3CCC4CCCC[N@@H+]43)CC2)CCOC1	REAL300003440543	0	54	0.0	-59.15	374.05	5.72	-53.43
O=C([O-])C1(N2CCN(C(=O)C3CCC4CCCC[N@H+]43)CC2)CCOC1	REAL300003440543	1	54	0.0	-58.36	375.08	5.74	-52.62
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440550	0	57	0.0	-58.11	384.81	3.58	-54.53
CC[NH+](CC)CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440565	0	49	0.0	-64.50	346.61	4.36	-60.14
CC(C)[NH+]1CCC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC1	REAL300003440567	0	56	0.0	-70.06	386.25	5.65	-64.41
O=C([O-])C1(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CCOC1	REAL300003440648	0	48	0.0	-73.33	331.91	3.12	-70.21
CCC(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[NH+](C)C	REAL300003440651	0	49	0.0	-61.08	340.63	4.02	-57.06
O=C([O-])C1(N2CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2)CCOC1	REAL300003440659	0	51	0.0	-70.45	344.15	3.86	-66.59
O=C([O-])C1(N2CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2)CCOC1	REAL300003440659	1	51	0.0	-69.03	343.24	3.87	-65.16
CC1CCC(C)[NH+]1CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440703	0	53	0.0	-62.36	358.22	4.63	-57.73
C[NH+](C)CC1=CC=CC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)=C1	REAL300003440704	0	53	0.0	-72.21	386.50	6.10	-66.11
C[NH+](C)C1(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CCC1	REAL300003440740	0	50	0.0	-56.32	335.77	3.96	-52.36
C#CC[NH+]1CCC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC1	REAL300003440767	0	52	0.0	-70.00	377.04	5.58	-64.42
CCC[N@@H+]1CCCCC1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440769	0	56	0.0	-62.19	390.46	5.99	-56.20
CCC[N@H+]1CCCCC1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440769	1	56	0.0	-68.99	389.18	5.93	-63.06
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440770	0	53	0.0	-47.38	385.94	6.19	-41.19
CC[NH+]1CCN(CCC(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC1	REAL300003440772	0	58	0.0	-71.14	409.20	3.71	-67.43
CCN1CC[NH+](CCC(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC1	REAL300003440772	1	58	0.0	-69.34	409.17	3.70	-65.64
CC(C)[N@H+](C)CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440773	0	49	0.0	-62.40	345.01	4.17	-58.23
CC(C)[N@@H+](C)CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440773	1	49	0.0	-58.09	342.53	4.06	-54.03
CC(C)C(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[NH+]1CCCCC1	REAL300003440774	0	59	0.0	-54.06	391.28	6.47	-47.59
C[NH+](C)C(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)C1=CC=CC=C1	REAL300003440775	1	53	0.0	-58.05	378.80	6.19	-51.86
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440783	1	54	0.0	-62.74	395.78	6.21	-56.53
O=C([O-])C1(N2CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC2)CCOC1	REAL300003440790	0	57	0.0	-72.36	385.45	6.43	-65.93
O=C([O-])C1(N2CCN(C(=O)C3CCC[N@H+]3C3CCCC3)CC2)CCOC1	REAL300003440790	1	57	0.0	-63.16	394.74	6.35	-56.81
CC[N@H+](CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)C1CC1	REAL300003440792	0	50	0.0	-62.50	359.71	5.04	-57.46
CC[N@@H+](CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)C1CC1	REAL300003440792	1	50	0.0	-63.41	352.21	4.60	-58.81
CC(C)C(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[NH+]1CC(C)OC(C)C1	REAL300003440817	1	63	0.0	-57.97	428.58	5.48	-52.49
CC(C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[NH+]1CCCCCC1	REAL300003440818	0	56	0.0	-57.36	374.99	5.25	-52.11
C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440821	0	47	0.0	-72.10	332.36	3.88	-68.22
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440821	1	47	0.0	-67.75	329.21	3.54	-64.21
CC(C)(C)[NH2+]CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440900	0	49	0.0	-64.09	349.51	2.71	-61.38
CC[NH+](CC)CC1=CC=C(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)O1	REAL300003440902	0	56	0.0	-75.04	406.72	6.12	-68.92
O=C([O-])C1(N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)CCOC1	REAL300003440903	0	56	0.0	-72.02	401.89	6.36	-65.66
C[N@H+](CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)CC1=CC=CC=C1	REAL300003440905	1	53	0.0	-62.98	384.77	6.45	-56.53
C[N@@H+](CC(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)CC1=CC=CC=C1	REAL300003440905	1	53	0.0	-63.45	384.83	6.45	-57.00
CC(C)[C@@H](C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1)[NH+](C)C	REAL300003440915	0	52	0.0	-67.89	350.69	4.43	-63.46
O=C([O-])C1(N2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC2)CCOC1	REAL300003440933	1	48	0.0	-85.24	366.50	4.09	-81.15
C[NH+](C)CC1=CC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)=NO1	REAL300003440957	1	49	0.0	-79.40	365.56	4.26	-75.14
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440971	0	53	0.0	-54.94	358.46	5.24	-49.70
CC(C)[N@H+]1CCCC1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003440971	1	53	0.0	-57.00	358.19	5.10	-51.90
C[NH+]1CCC(OCC(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC1	REAL300003440993	0	54	0.0	-76.23	390.25	5.17	-71.06
O=C([O-])C1(N2CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)CC2)CCOC1	REAL300003440997	0	57	0.0	-75.93	412.83	6.61	-69.32
CCC[N@@H+]1CCCC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003441169	0	56	0.0	-62.08	384.75	5.99	-56.09
CCC[N@H+]1CCCC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003441169	1	56	0.0	-62.84	384.15	5.95	-56.89
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003441197	0	56	0.0	-64.53	392.88	6.13	-58.40
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(C2(C(=O)[O-])CCOC2)CC1	REAL300003441197	1	56	0.0	-64.66	388.24	5.66	-59.00
O=C([O-])C1(N2CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)CCOC1	REAL300003441198	0	54	0.0	-66.17	384.03	2.15	-64.02
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003441406	0	56	0.0	-62.64	379.84	5.76	-56.88
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003441406	1	56	0.0	-65.17	388.69	5.68	-59.49
C[N@@H+]1CC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C(C(F)(F)F)C1	REAL300003441407	0	50	0.0	-82.03	359.05	4.50	-77.53
C[N@H+]1CC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C(C(F)(F)F)C1	REAL300003441407	1	50	0.0	-79.45	369.86	4.52	-74.93
CC1=C(C)[NH+]=C(CCC(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)N1	REAL300003441430	1	51	0.0	-62.91	380.56	4.34	-58.57
C[NH+](C)CCC1=CC=CC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)=C1	REAL300003441886	0	56	0.0	-74.31	409.04	6.95	-67.36
C[NH+](C)CCOC1=CC=C(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C=C1	REAL300003441892	0	57	0.0	-77.54	413.60	5.79	-71.75
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003442026	0	50	0.0	-68.52	357.36	4.59	-63.93
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)CC1	REAL300003442030	0	56	0.0	-69.70	379.11	5.48	-64.22
CC(C)C[N@@H+]1CCCC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003442095	0	59	0.0	-63.39	399.00	6.68	-56.71
CC(C)C[N@H+]1CCCC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003442095	1	59	0.0	-63.39	399.00	6.68	-56.71
CC[N@@H+]1CCCC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003442096	0	53	0.0	-55.51	364.32	5.32	-50.19
CC[N@H+]1CCCC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003442096	1	53	0.0	-55.51	364.32	5.32	-50.19
C[N@@H+]1CCCC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003442101	0	50	0.0	-56.21	346.30	4.67	-51.54
C[N@H+]1CCCC(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003442101	1	50	0.0	-56.21	346.30	4.67	-51.54
CN(C)CC1=CC=C(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)O1	REAL300003442103	0	50	0.0	-78.05	371.68	4.74	-73.31
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)O1	REAL300003442103	1	50	0.0	-78.05	371.68	4.74	-73.31
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003442109	0	59	0.0	-74.47	394.60	5.56	-68.91
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCN(C3(C(=O)[O-])CCOC3)CC2)C1	REAL300003442109	1	59	0.0	-74.47	394.60	5.56	-68.91
O=C([O-])C1(N2CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CC2)CCOC1	REAL300003442112	0	52	0.0	-73.01	363.63	6.10	-66.91
COCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCOCC1	REAL300003442176	0	51	0.0	-45.60	371.89	4.90	-40.70
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC=C(Cl)C=C3C2)C1	REAL300003442325	0	44	0.0	-48.78	349.91	10.15	-38.63
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=C(Cl)C=C3C2)C1	REAL300003442325	1	44	0.0	-48.78	349.91	10.15	-38.63
O=C([O-])C1CCCN(CC(=O)NC2=CC=C(OCC(F)(F)F)C(F)=C2)C1	REAL300003442449	0	44	0.0	-60.78	361.91	8.06	-52.72
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OCC(F)(F)F)C(F)=C2)C1	REAL300003442449	1	44	0.0	-56.15	367.12	8.06	-48.09
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OCC(F)(F)F)C(F)=C2)C1	REAL300003442449	1	44	0.0	-56.15	367.12	8.06	-48.09
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC(OCC3=CC=CC=C3)=C2)C1	REAL300003442593	0	54	0.0	-48.19	421.76	10.68	-37.51
COC1=CC=C(C2(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2)C=C1	REAL300003442718	0	54	0.0	-49.18	408.87	9.15	-40.03
CSC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)(C)C	REAL300003442819	0	49	0.0	-49.40	364.61	8.78	-40.62
CCOC1=CC=C(C(COC)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003442925	0	54	0.0	-48.17	410.49	7.73	-40.44
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC=C3Cl)CCCCC2)C1	REAL300003443034	0	56	0.0	-47.54	410.12	11.03	-36.51
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC=C3Cl)CCCCC2)C1	REAL300003443034	1	56	0.0	-46.04	401.25	11.77	-34.27
COCCOCCN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003443100	0	47	0.0	-48.02	361.86	6.32	-41.70
COCCOCCN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003443100	1	47	0.0	-47.54	362.95	5.83	-41.71
CC1=CC=CC(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)=C1	REAL300003443200	0	50	0.0	-45.04	371.87	10.46	-34.58
CC1=CC=CC(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)=C1	REAL300003443200	1	50	0.0	-48.35	378.81	10.88	-37.47
CCC(C1=CC=CC(OC)=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003443311	0	53	0.0	-46.41	386.43	9.60	-36.81
CCC(C1=CC=CC(OC)=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003443311	1	53	0.0	-50.39	392.68	10.04	-40.35
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC2=CC=CS2)C1	REAL300003443394	0	43	0.0	-49.11	349.93	8.06	-41.05
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC2=CC=CS2)C1	REAL300003443394	1	43	0.0	-47.92	343.72	8.04	-39.88
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(N3CCCS3(=O)=O)C2)C1	REAL300003443504	0	52	0.0	-54.80	387.09	5.10	-49.70
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(N3CCCS3(=O)=O)C2)C1	REAL300003443504	1	52	0.0	-59.45	394.94	5.60	-53.85
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(COC3=CC=CC=C3)C2)C1	REAL300003443630	0	51	0.0	-49.07	391.94	10.03	-39.04
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(COC3=CC=CC=C3)C2)C1	REAL300003443630	1	51	0.0	-48.36	391.49	10.00	-38.36
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C3=CC=CC(C(F)(F)F)=C3)C2)C1	REAL300003443746	0	53	0.0	-46.83	403.00	11.45	-35.38
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C3=CC=CC(C(F)(F)F)=C3)C2)C1	REAL300003443746	1	53	0.0	-50.42	410.02	11.93	-38.49
O=C([O-])CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300003444650	0	47	0.0	-76.80	356.56	10.65	-66.15
CC1=NC(C[NH+]2CCC(C(=O)N(CC(=O)[O-])C3CC3)CC2)=CS1	REAL300003445699	1	46	0.0	-76.37	364.31	8.47	-67.90
C[NH+](C)CCOC1=CC=C(CCC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300003445733	0	50	0.0	-78.79	389.65	10.48	-68.31
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300003445738	0	50	0.0	-74.32	387.36	12.59	-61.73
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300003445738	1	50	0.0	-74.12	387.36	12.60	-61.52
O=C([O-])CN(C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1CC1	REAL300003445822	0	40	0.0	-63.29	320.11	7.92	-55.37
O=C([O-])CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C1CC1	REAL300003445839	0	48	0.0	-78.95	342.22	7.61	-71.34
CC[N@H+](CC1=CC=C(C(=O)N(CC(=O)[O-])C2CC2)C=C1)C(C)C	REAL300003445851	0	49	0.0	-63.58	359.29	10.58	-53.00
CC[N@@H+](CC1=CC=C(C(=O)N(CC(=O)[O-])C2CC2)C=C1)C(C)C	REAL300003445851	1	49	0.0	-63.46	349.40	9.99	-53.47
O=C([O-])CN(C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300003445865	0	44	0.0	-69.37	344.65	10.18	-59.19
O=C([O-])CN(C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300003445865	1	44	0.0	-68.63	341.00	10.01	-58.62
O=C([O-])CN(C(=O)C1CC[NH+](C2CCSC2)CC1)C1CC1	REAL300003445866	0	45	0.0	-79.83	339.58	9.36	-70.47
O=C([O-])CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)C1CC1	REAL300003445884	0	48	0.0	-68.28	337.65	7.70	-60.58
O=C([O-])CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1CC1	REAL300003445891	0	50	0.0	-70.67	379.40	11.53	-59.14
O=C([O-])CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1CC1	REAL300003445891	1	50	0.0	-72.07	381.77	11.71	-60.36
O=C([O-])CN(C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1CC1	REAL300003445925	0	44	0.0	-67.02	335.51	10.16	-56.86
O=C([O-])CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1CC1	REAL300003445928	0	47	0.0	-69.21	352.29	10.86	-58.35
CCN1CCC([NH+]2CCC(C(=O)N(CC(=O)[O-])C3CC3)CC2)CC1	REAL300003445933	0	55	0.0	-73.82	385.29	8.30	-65.52
CC1C[NH+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CC3)C=C2)CC(C)O1	REAL300003445938	1	51	0.0	-69.46	384.98	9.70	-59.76
O=C([O-])CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300003445947	1	48	0.0	-78.48	364.86	9.85	-68.63
O=C([O-])CN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300003445947	1	48	0.0	-79.61	375.20	10.37	-69.24
CC1=C(C(=O)N(CC(=O)[O-])C2CC2)C=NN1C1=CC=[NH+]C=C1	REAL300003445960	1	38	0.0	-74.22	304.26	7.33	-66.89
O=C([O-])CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1CC1	REAL300003445963	0	47	0.0	-66.65	351.65	10.68	-55.97
O=C([O-])CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300003445974	1	45	0.0	-59.42	342.64	9.44	-49.98
O=C([O-])CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300003445974	1	45	0.0	-72.97	342.80	9.37	-63.60
CC(C(=O)N(CC(=O)[O-])C1CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003445982	0	53	0.0	-60.50	397.63	12.28	-48.22
COCCOCC[N@H+](C)CCC(=O)N(CC(=O)[O-])C1CC1	REAL300003445999	0	47	0.0	-69.13	363.74	6.36	-62.77
COCCOCC[N@@H+](C)CCC(=O)N(CC(=O)[O-])C1CC1	REAL300003445999	1	47	0.0	-69.53	369.08	6.46	-63.07
O=C([O-])CN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300003446005	0	52	0.0	-74.03	394.72	9.94	-64.09
CC(C)[NH+]1CCN(CCCC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300003446021	0	51	0.0	-71.29	372.66	7.45	-63.84
CC(C)N1CC[NH+](CCCC(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300003446021	1	51	0.0	-70.45	374.09	7.61	-62.84
CC1=CC=CC(N2CC[NH+](CCC(=O)N(CC(=O)[O-])C3CC3)CC2)=C1	REAL300003446025	0	52	0.0	-72.02	389.79	9.74	-62.28
O=C([O-])CN(C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300003446026	0	49	0.0	-70.60	373.73	9.19	-61.41
O=C([O-])CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1CC1	REAL300003446029	0	46	0.0	-69.53	351.86	8.90	-60.63
O=C([O-])CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1CC1	REAL300003446029	1	46	0.0	-69.81	354.05	9.08	-60.73
CC(C(=O)N(CC(=O)[O-])C1CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003446032	1	44	0.0	-62.41	335.85	10.12	-52.29
CC(C(=O)N(CC(=O)[O-])C1CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003446032	1	44	0.0	-61.74	336.68	10.08	-51.66
O=C([O-])CN(C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300003446046	0	47	0.0	-74.65	366.06	11.07	-63.58
O=C([O-])CN(C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300003446046	1	47	0.0	-74.11	365.72	11.07	-63.04
O=C([O-])CN(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1CC1	REAL300003446055	0	47	0.0	-69.70	363.35	10.73	-58.97
O=C([O-])CN(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1CC1	REAL300003446055	1	47	0.0	-70.38	365.55	10.91	-59.47
O=C([O-])CN(C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1CC1	REAL300003446057	0	48	0.0	-70.61	371.47	8.60	-62.01
C[NH+]1CCN(CC2=CC=CC(C(=O)N(CC(=O)[O-])C3CC3)=C2)CC1	REAL300003446080	0	49	0.0	-70.33	369.39	8.43	-61.90
C[NH+]1CCN(CC2=CC=C(C(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300003446081	0	49	0.0	-69.96	369.32	8.44	-61.52
CN1CC[NH+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300003446081	1	49	0.0	-67.14	368.18	8.12	-59.02
CC[NH+](CC)CCOC1=CC=C(C(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300003446082	0	50	0.0	-64.00	371.22	9.67	-54.33
O=C([O-])CN(C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1CC1	REAL300003446104	0	51	0.0	-69.00	383.34	7.98	-61.02
O=C([O-])CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300003446106	0	47	0.0	-65.39	356.91	10.66	-54.73
O=C([O-])CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300003446106	1	47	0.0	-66.39	359.20	10.84	-55.55
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N(CC(=O)[O-])C3CC3)=CC=C1N2	REAL300003446170	1	45	0.0	-77.09	345.73	9.40	-67.69
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N(CC(=O)[O-])C3CC3)=CC=C1N2	REAL300003446170	1	45	0.0	-76.14	345.41	9.20	-66.94
CC1=CC=C(N2CCC(C(=O)N(CC(=O)[O-])C3CC3)CC2)[NH+]=C1	REAL300003446200	1	46	0.0	-71.13	352.09	8.74	-62.39
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300003446203	0	52	0.0	-69.10	378.88	9.31	-59.79
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(CC(=O)[O-])C1CC1	REAL300003446224	0	47	0.0	-67.85	357.21	10.69	-57.16
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(CC(=O)[O-])C1CC1	REAL300003446224	1	47	0.0	-64.80	360.42	10.87	-53.93
C[NH+](C)CCOC1=CC=C(C=CC(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300003446237	0	48	0.0	-84.41	377.48	10.20	-74.21
O=C([O-])CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CC1	REAL300003446246	0	44	0.0	-54.99	338.89	9.60	-45.39
C[NH+](C)CCOC1=CC=C(C(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300003446623	0	44	0.0	-66.23	339.88	8.61	-57.62
O=C([O-])CN(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300003446662	0	50	0.0	-72.03	380.64	11.79	-60.24
CC1C[N@H+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CC3)C=C2)CCO1	REAL300003446664	1	48	0.0	-68.82	363.86	8.97	-59.85
CC1C[N@@H+](CC2=CC=C(C(=O)N(CC(=O)[O-])C3CC3)C=C2)CCO1	REAL300003446664	1	48	0.0	-69.90	364.92	9.14	-60.76
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300003446786	0	43	0.0	-47.11	348.56	8.45	-38.66
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300003446786	1	43	0.0	-47.99	349.42	8.91	-39.08
CC(C)(C)C1=CC=C(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCCC2)C=C1	REAL300003446898	0	62	0.0	-48.06	438.95	12.18	-35.88
CC(C)(C)C1=CC=C(C2(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCCC2)C=C1	REAL300003446898	1	62	0.0	-44.88	436.23	11.77	-33.11
CC1=CC=C(C2CC(C)N(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300003447011	0	53	0.0	-45.31	388.91	11.52	-33.79
CC1=CC=C(C2CC(C)N(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300003447011	1	53	0.0	-47.24	396.73	11.62	-35.62
COCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCC(C)C1	REAL300003447123	0	53	0.0	-47.41	377.56	9.58	-37.83
COCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCC(C)C1	REAL300003447123	1	53	0.0	-47.26	385.31	8.88	-38.38
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2CCCC3=CC=C(F)C=C32)C1	REAL300003447233	0	47	0.0	-49.60	355.77	9.14	-40.46
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2CCCC3=CC=C(F)C=C32)C1	REAL300003447233	1	47	0.0	-49.97	356.47	9.16	-40.81
CC(C)C1OCCCC1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003447402	0	53	0.0	-48.59	379.77	7.28	-41.31
CC(C)C1OCCCC1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003447402	1	53	0.0	-49.19	383.91	7.44	-41.75
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2CCCCC2)C(F)(F)F)C1	REAL300003447510	1	49	0.0	-47.79	362.54	8.92	-38.87
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2CCCCC2)C(F)(F)F)C1	REAL300003447510	1	49	0.0	-50.13	368.00	8.89	-41.24
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(CC3=CC=C(F)C=C3)CC2)C1	REAL300003447760	0	50	0.0	-52.05	394.32	10.24	-41.81
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(CC3=CC=C(F)C=C3)CC2)C1	REAL300003447760	1	50	0.0	-52.11	387.80	10.22	-41.89
CC1CSCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003447840	0	44	0.0	-46.24	332.07	8.75	-37.49
CC1CSCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003447840	1	44	0.0	-46.88	331.97	8.77	-38.11
CC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCS1	REAL300003447891	0	44	0.0	-46.19	331.58	8.84	-37.35
CC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCS1	REAL300003447891	1	44	0.0	-47.63	332.81	8.89	-38.74
CC1(C)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1OCC1=CC=CC=C1	REAL300003447992	0	57	0.0	-50.04	432.80	10.23	-39.81
CC1(C)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1OCC1=CC=CC=C1	REAL300003447992	1	57	0.0	-49.31	434.87	10.20	-39.11
CC(C)OC1CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300003448108	0	53	0.0	-47.03	394.16	7.86	-39.17
CC(C)OC1CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1(C)C	REAL300003448108	1	53	0.0	-49.02	394.50	7.96	-41.06
CSC1=CC=CC(F)=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003448226	0	44	0.0	-47.13	359.44	8.32	-38.81
CSC1=CC=CC(F)=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003448226	1	44	0.0	-44.54	351.19	7.87	-36.67
COCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCO1	REAL300003448317	0	48	0.0	-48.36	364.70	4.86	-43.50
COCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCO1	REAL300003448317	1	48	0.0	-47.00	359.31	4.83	-42.17
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCOC2(CCC2)C1	REAL300003448392	0	48	0.0	-48.69	348.61	6.57	-42.12
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCOC2(CCC2)C1	REAL300003448392	1	48	0.0	-48.68	355.15	6.61	-42.07
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC2CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300003448499	0	50	0.0	-52.67	406.76	10.91	-41.76
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CC2CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300003448499	1	50	0.0	-51.99	405.62	10.88	-41.11
O=C([O-])C1CCC[N@H+](CC(=O)NCC2C3CC4=CC=CC=C4C23)C1	REAL300003448644	0	48	0.0	-49.53	371.95	10.06	-39.47
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2C3CC4=CC=CC=C4C23)C1	REAL300003448644	1	48	0.0	-50.81	361.34	9.81	-41.00
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCOC2(CCSC2)C1	REAL300003448762	0	49	0.0	-52.72	368.40	6.83	-45.89
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCOC2(CCSC2)C1	REAL300003448762	1	49	0.0	-52.08	367.13	6.81	-45.27
COCCCS(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003448880	0	55	0.0	-60.28	426.06	4.76	-55.52
COCCCS(=O)(=O)N1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003448880	1	55	0.0	-54.78	418.19	4.29	-50.49
CC1=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300003448993	0	46	0.0	-48.42	359.45	8.56	-39.86
CC1=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300003448993	1	46	0.0	-50.92	364.98	8.54	-42.38
CN(CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)S(=O)(=O)C1=CC=CS1	REAL300003449110	0	48	0.0	-55.87	404.59	4.65	-51.22
CN(CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)S(=O)(=O)C1=CC=CS1	REAL300003449110	1	48	0.0	-57.28	405.08	4.63	-52.65
O=C([O-])C1CCC[N@H+](CC(=O)NC2=C3SC=CC3=CC=C2)C1	REAL300003449255	1	40	0.0	-47.77	320.29	8.71	-39.06
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=C3SC=CC3=CC=C2)C1	REAL300003449255	1	40	0.0	-47.11	319.48	8.27	-38.84
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC2CCCC2)C2=CC=CC=C2)C1	REAL300003449366	0	56	0.0	-45.31	412.56	11.59	-33.72
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC2CCCC2)C2=CC=CC=C2)C1	REAL300003449366	1	56	0.0	-48.81	420.06	12.04	-36.77
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1C2CCOC2C12CCCC2	REAL300003449534	0	52	0.0	-52.01	373.73	8.19	-43.82
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1C2CCOC2C12CCCC2	REAL300003449534	1	52	0.0	-50.43	378.12	8.17	-42.26
CCOC1=CC=CC=C1N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003449638	0	47	0.0	-47.20	364.17	9.38	-37.82
CCOC1=CC=CC=C1N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003449638	1	47	0.0	-48.01	365.35	9.42	-38.59
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2CCCO2)C1	REAL300003449706	0	48	0.0	-49.42	347.76	7.89	-41.53
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2CCCO2)C1	REAL300003449706	1	48	0.0	-44.90	343.19	7.65	-37.25
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(C(F)(F)F)C2)C1	REAL300003449801	0	43	0.0	-46.13	324.62	7.93	-38.20
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(C(F)(F)F)C2)C1	REAL300003449801	1	43	0.0	-49.64	332.04	8.40	-41.24
COC1=CC(SC)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003449908	1	45	0.0	-47.47	351.84	7.32	-40.15
COC1=CC(SC)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003449908	1	45	0.0	-47.43	353.49	7.75	-39.68
COC1=CC=C2CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)COC2=C1	REAL300003450023	0	49	0.0	-54.80	377.00	6.68	-48.12
COC1=CC=C2CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)COC2=C1	REAL300003450023	1	49	0.0	-55.80	371.51	6.70	-49.10
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=CC(Cl)=C2)C1	REAL300003450151	0	44	0.0	-51.29	361.56	9.37	-41.92
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=CC(Cl)=C2)C1	REAL300003450151	1	44	0.0	-49.96	360.37	9.34	-40.62
CC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)OCCC2=C1C=CS2	REAL300003450276	0	48	0.0	-49.76	366.43	7.22	-42.54
CC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)OCCC2=C1C=CS2	REAL300003450276	1	48	0.0	-49.34	372.70	7.25	-42.09
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=C(Cl)C=C2)C1	REAL300003450404	0	44	0.0	-47.54	353.68	8.90	-38.64
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=C(Cl)C=C2)C1	REAL300003450404	1	44	0.0	-50.45	361.15	9.35	-41.10
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2CC2)C(F)(F)F)C1	REAL300003450495	1	40	0.0	-47.87	314.15	6.98	-40.89
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2CC2)C(F)(F)F)C1	REAL300003450495	1	40	0.0	-47.24	306.51	6.33	-40.91
O=C([O-])C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1CCOCC1	REAL300003451608	0	54	0.0	-73.43	404.68	9.14	-64.29
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1CCOCC1	REAL300003452933	0	48	0.0	-69.11	360.30	6.99	-62.12
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3CCOCC3)CN21	REAL300003452958	1	46	0.0	-61.35	352.13	6.68	-54.67
CC1=NC(C[NH+]2CCC(C(=O)NC(C(=O)[O-])C3CCOCC3)CC2)=CS1	REAL300003453019	1	53	0.0	-73.46	412.07	6.90	-66.56
CC(C(=O)NC(C(=O)[O-])C1CCOCC1)N1CC[NH+](C)CC1	REAL300003453020	1	49	0.0	-70.69	357.39	3.73	-66.96
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300003453090	0	57	0.0	-80.47	435.00	8.48	-71.99
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300003453095	0	57	0.0	-78.79	439.35	11.02	-67.77
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300003453095	1	57	0.0	-77.81	439.26	11.03	-66.78
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C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2(CC(=O)[O-])CCCCC2)C=C1	REAL300003461291	0	60	0.0	-79.18	441.34	10.72	-68.46
C[NH+]1CCC(OCC(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300003461311	0	53	0.0	-70.33	378.50	8.36	-61.97
O=C([O-])CC1(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCCCC1	REAL300003461316	0	56	0.0	-66.09	404.70	9.95	-56.14
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2(CC(=O)[O-])CCCCC2)[C@@H](C(F)(F)F)C1	REAL300003461361	0	58	0.0	-62.04	412.50	9.44	-52.60
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2(CC(=O)[O-])CCCCC2)[C@@H](C(F)(F)F)C1	REAL300003461361	1	58	0.0	-51.54	411.85	9.52	-42.02
CCC[N@@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300003461514	0	55	0.0	-62.95	382.28	9.29	-53.66
CCC[N@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300003461514	1	55	0.0	-62.72	382.42	9.29	-53.43
CC(C)C[N@@H+]1CCCC1C(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300003461547	0	55	0.0	-55.24	383.76	9.42	-45.82
CC(C)C[N@H+]1CCCC1C(=O)NCC1(CC(=O)[O-])CCCCC1	REAL300003461547	1	55	0.0	-58.53	372.66	9.52	-49.01
O=C([O-])CC1(CNC(=O)C[NH+]2CCC(CO)CC2)CCCCC1	REAL300003461548	1	53	0.0	-60.62	372.17	5.46	-55.16
O=C([O-])CC1(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CCCCC1	REAL300003461650	0	60	0.0	-63.25	427.52	11.72	-51.53
O=C([O-])CC1(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CCCCC1	REAL300003461650	1	60	0.0	-63.48	428.81	11.71	-51.77
O=C([O-])CC1(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CCCCC1	REAL300003461691	1	59	0.0	-65.13	423.61	11.45	-53.68
O=C([O-])CC1(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CCCCC1	REAL300003461691	1	59	0.0	-55.58	423.88	11.47	-44.11
CC(C)[N@@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300003461786	0	55	0.0	-61.84	377.76	9.04	-52.80
CC(C)[N@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300003461786	1	55	0.0	-68.27	377.63	9.06	-59.21
C[N@@H+]1CC(C(=O)NCC2(CC(=O)[O-])CCCCC2)C(C(F)(F)F)C1	REAL300003461787	0	49	0.0	-76.94	362.80	7.98	-68.96
C[N@H+]1CC(C(=O)NCC2(CC(=O)[O-])CCCCC2)C(C(F)(F)F)C1	REAL300003461787	1	49	0.0	-72.32	352.97	8.22	-64.10
CC1=C(C)[NH+]=C(CCC(=O)NCC2(CC(=O)[O-])CCCCC2)N1	REAL300003461811	1	50	0.0	-58.33	369.09	7.53	-50.80
C[NH+](C)CCC1=CC=CC(C(=O)NCC2(CC(=O)[O-])CCCCC2)=C1	REAL300003462311	0	55	0.0	-77.64	399.52	10.59	-67.05
C[NH+](C)CCOC1=CC=C(C(=O)NCC2(CC(=O)[O-])CCCCC2)C=C1	REAL300003462319	0	56	0.0	-83.85	406.67	9.56	-74.29
O=C([O-])CC1(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CCCCC1	REAL300003462421	0	62	0.0	-68.87	438.61	12.18	-56.69
CC1CN(CC2=CC=C(C(=O)NCC3(CC(=O)[O-])CCCCC3)C=C2)CCO1	REAL300003462423	0	60	0.0	-77.87	424.27	9.90	-67.97
CC1C[N@H+](CC2=CC=C(C(=O)NCC3(CC(=O)[O-])CCCCC3)C=C2)CCO1	REAL300003462423	1	60	0.0	-77.99	424.32	9.91	-68.08
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3(CC(=O)[O-])CCCCC3)C=C2)CCO1	REAL300003462423	1	60	0.0	-77.99	424.32	9.91	-68.08
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2(CC(=O)[O-])CCCCC2)CC1	REAL300003462470	0	55	0.0	-51.89	371.15	8.95	-42.94
CC1=[NH+]C=C2C=CC(C(=O)NCC3(CC(=O)[O-])CCCCC3)=CN21	REAL300003462474	0	47	0.0	-61.77	350.35	9.53	-52.24
CC(C)C[N@@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300003462537	0	58	0.0	-56.79	393.81	10.15	-46.64
CC(C)C[N@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300003462537	1	58	0.0	-64.54	400.12	9.98	-54.56
CC[N@@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300003462538	0	52	0.0	-62.48	360.78	8.55	-53.93
CC[N@H+]1CCCC(C(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300003462538	1	52	0.0	-69.08	360.97	8.54	-60.54
C[NH+](C)CC1=CC=C(C(=O)NCC2(CC(=O)[O-])CCCCC2)O1	REAL300003462544	1	49	0.0	-68.56	363.09	8.07	-60.49
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300003462550	0	58	0.0	-70.11	388.83	9.40	-60.71
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2(CC(=O)[O-])CCCCC2)C1	REAL300003462550	1	58	0.0	-70.22	381.23	8.91	-61.31
O=C([O-])CC1(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)CCCCC1	REAL300003462553	1	51	0.0	-62.22	355.49	9.25	-52.97
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(CC3=CC=CC=C3)CCCCC2)C1	REAL300003462636	1	59	0.0	-49.47	414.40	11.69	-37.78
CC(C)CC1OCCCC1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003462806	1	53	0.0	-44.89	381.36	8.17	-36.72
CCOC1CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1OC1=CC=CC=C1	REAL300003462916	1	55	0.0	-52.57	421.38	8.93	-43.64
CCC1(CC)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003463027	0	52	0.0	-45.72	357.86	9.36	-36.36
CCC1(CC)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003463027	1	52	0.0	-42.53	350.34	8.90	-33.63
CC(C)(CC1=CC=C(C(F)(F)F)C=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003463122	0	52	0.0	-51.20	395.72	10.10	-41.10
CC(C)(CC1=CC=C(C(F)(F)F)C=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003463122	1	52	0.0	-52.09	401.93	10.12	-41.97
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300003463231	0	54	0.0	-47.83	417.13	11.84	-35.99
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300003463231	1	54	0.0	-51.51	424.07	12.28	-39.23
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(C3CCC3)C=C2)C1	REAL300003463379	0	50	0.0	-47.63	382.46	10.01	-37.62
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(C3CCC3)C=C2)C1	REAL300003463379	1	50	0.0	-46.38	376.25	9.99	-36.39
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCCC3=CC=C(F)C=C32)C1	REAL300003463549	0	47	0.0	-50.72	356.90	9.19	-41.53
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CCCC3=CC=C(F)C=C32)C1	REAL300003463549	1	47	0.0	-47.78	349.74	9.13	-38.65
COC1=CC(OC)=CC(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003463722	0	48	0.0	-50.93	371.12	7.60	-43.33
COC1=CC(OC)=CC(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003463722	1	48	0.0	-51.58	371.77	7.62	-43.96
CC(C1CCCCC1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003463851	0	52	0.0	-45.56	369.53	10.56	-35.00
CC(C1CCCCC1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003463851	1	52	0.0	-46.42	369.57	10.61	-35.81
C=CCC1N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCC1(C)C	REAL300003463938	0	53	0.0	-45.27	352.69	10.17	-35.10
C=CCC1N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCC1(C)C	REAL300003463938	1	53	0.0	-43.14	351.11	9.74	-33.40
CC(C)(C)S(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003464044	0	57	0.0	-51.85	422.55	5.65	-46.20
CC(C)(C)S(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003464044	1	57	0.0	-55.27	430.01	5.69	-49.58
CO[C@@H]1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C[C@@H]1OC	REAL300003464112	0	45	0.0	-48.53	344.65	5.75	-42.78
CO[C@@H]1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C[C@@H]1OC	REAL300003464112	1	45	0.0	-49.83	345.59	5.86	-43.97
CCS(=O)(=O)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003464213	0	49	0.0	-54.31	392.66	5.82	-48.49
CCS(=O)(=O)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003464213	1	49	0.0	-54.42	390.75	5.38	-49.04
CC1=CC=CC(OCCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300003464338	0	53	0.0	-50.23	405.31	9.07	-41.16
CC1=CC=CC(OCCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300003464338	1	53	0.0	-50.86	405.92	9.09	-41.77
CCOC1CC2(C1)CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300003464488	0	51	0.0	-47.23	382.63	8.42	-38.81
CCOC1CC2(C1)CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300003464488	1	51	0.0	-44.18	376.45	8.03	-36.15
CC1=CC=C(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C(C)=C1	REAL300003464609	0	53	0.0	-45.28	389.14	10.99	-34.29
CC1=CC=C(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C(C)=C1	REAL300003464609	1	53	0.0	-44.81	388.69	10.96	-33.85
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=C(OC(F)F)C=C2)C1	REAL300003464739	0	48	0.0	-50.03	376.21	7.96	-42.07
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=C(OC(F)F)C=C2)C1	REAL300003464739	1	48	0.0	-53.04	383.68	8.41	-44.63
CC(C)(C)C1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003464829	0	52	0.0	-45.56	363.50	9.49	-36.07
CC(C)(C)C1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003464829	1	52	0.0	-42.52	356.00	9.03	-33.49
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2CC2)CC2CCC2)C1	REAL300003464895	0	50	0.0	-45.91	369.31	11.06	-34.85
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2CC2)CC2CCC2)C1	REAL300003464895	1	50	0.0	-41.53	365.66	10.55	-30.98
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=CC=C2Br)C1	REAL300003464998	0	44	0.0	-49.73	363.10	9.36	-40.37
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=CC=C2Br)C1	REAL300003464998	1	44	0.0	-48.58	361.93	9.33	-39.25
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=CC3=CC=CC=C32)C1	REAL300003465119	0	50	0.0	-52.18	387.41	10.97	-41.21
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=CC3=CC=CC=C32)C1	REAL300003465119	1	50	0.0	-48.71	379.94	10.52	-38.19
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2C[C@H](C3=CC=C(C(F)(F)F)C=C3)C2)C1	REAL300003465246	0	50	0.0	-51.09	393.08	10.39	-40.70
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2C[C@H](C3=CC=C(C(F)(F)F)C=C3)C2)C1	REAL300003465246	1	50	0.0	-51.13	393.11	10.39	-40.74
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2C[C@H](C3=CC=CC(C(F)(F)F)=C3)C2)C1	REAL300003465365	0	50	0.0	-48.40	392.12	9.94	-38.46
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2C[C@H](C3=CC=CC(C(F)(F)F)=C3)C2)C1	REAL300003465365	1	50	0.0	-50.81	399.27	10.35	-40.46
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2C[C@H](C3=CC=CC(F)=C3)C2)C1	REAL300003465485	0	47	0.0	-48.10	359.46	8.98	-39.12
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2C[C@H](C3=CC=CC(F)=C3)C2)C1	REAL300003465485	1	47	0.0	-48.60	359.89	9.01	-39.59
CCOC1=CC=C([C@@H]2C[C@H]2NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003465611	0	51	0.0	-50.80	395.78	9.05	-41.75
CCOC1=CC=C([C@@H]2C[C@H]2NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003465611	1	51	0.0	-48.13	388.31	8.61	-39.52
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(Cl)C(Cl)=C3)CC2)C1	REAL300003465759	0	44	0.0	-49.85	376.75	9.64	-40.21
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C(Cl)C(Cl)=C3)CC2)C1	REAL300003465759	1	44	0.0	-51.72	373.51	9.98	-41.74
O=C([O-])C1CCC[N@H+](CC(=O)N2CC[C@H](OC(F)F)C2)C1	REAL300003465834	0	41	0.0	-49.66	323.68	6.06	-43.60
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC[C@H](OC(F)F)C2)C1	REAL300003465834	1	41	0.0	-46.29	316.72	5.63	-40.66
CS(=O)(=O)C1=CC=C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300003465929	0	53	0.0	-59.09	408.50	7.79	-51.30
CS(=O)(=O)C1=CC=C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300003465929	1	53	0.0	-59.85	408.40	7.81	-52.04
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=C(Cl)C=CC=C2Cl)C2CC2)C1	REAL300003466062	0	47	0.0	-42.92	369.64	11.19	-31.73
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=C(Cl)C=CC=C2Cl)C2CC2)C1	REAL300003466062	1	47	0.0	-42.94	379.03	11.51	-31.43
CN(CC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1)S(C)(=O)=O	REAL300003466174	0	54	0.0	-55.48	406.86	5.88	-49.60
CN(CC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1)S(C)(=O)=O	REAL300003466174	1	54	0.0	-53.02	396.92	5.37	-47.65
CC(C)CC1(C)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003466319	0	55	0.0	-45.81	379.52	10.09	-35.72
CC(C)CC1(C)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003466319	1	55	0.0	-45.90	373.31	10.23	-35.67
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)[C@H]1CC[C@@H](C(F)(F)F)CC1	REAL300003466438	0	49	0.0	-47.41	357.70	9.78	-37.63
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)[C@H]1CC[C@@H](C(F)(F)F)CC1	REAL300003466438	1	49	0.0	-44.97	350.96	9.34	-35.63
O=C([O-])C1CCC[N@H+](CC(=O)NC2C3=CC=CC=C3CC23CCOCC3)C1	REAL300003466557	0	55	0.0	-50.34	404.46	9.38	-40.96
O=C([O-])C1CCC[N@@H+](CC(=O)NC2C3=CC=CC=C3CC23CCOCC3)C1	REAL300003466557	1	55	0.0	-49.40	403.72	9.39	-40.01
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCN(S(C)(=O)=O)C1	REAL300003466671	0	48	0.0	-54.96	364.38	3.92	-51.04
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCN(S(C)(=O)=O)C1	REAL300003466671	1	48	0.0	-54.42	365.99	4.34	-50.08
C[C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2O1	REAL300003466799	0	48	0.0	-47.62	355.03	7.66	-39.96
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CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300003470659	1	58	0.0	-82.13	453.98	8.03	-74.10
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1CC[NH+](C(C)C)CC1	REAL300003470668	0	52	0.0	-75.22	398.94	8.13	-67.09
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C12CC[NH+](CC1)C2	REAL300003470735	0	44	0.0	-75.23	347.93	5.74	-69.49
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C12CC[N@H+](C1)CCC2	REAL300003470744	0	47	0.0	-74.08	357.85	6.42	-67.66
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300003470744	1	47	0.0	-73.97	358.91	6.40	-67.57
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C[NH+]1C(C)CCC1C	REAL300003470783	0	49	0.0	-70.77	357.58	6.69	-64.08
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300003470784	0	49	0.0	-75.66	398.36	8.80	-66.86
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003470785	0	56	0.0	-73.45	437.91	10.38	-63.07
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003470785	1	56	0.0	-73.72	442.41	10.49	-63.23
C#CC[NH+]1CCC(C(=O)NC2=C(C)N(CCC(=O)[O-])N=C2C)CC1	REAL300003470839	0	48	0.0	-78.52	389.30	8.09	-70.43
CC[NH+]1CCN(CCC(=O)NC2=C(C)N(CCC(=O)[O-])N=C2C)CC1	REAL300003470841	0	54	0.0	-74.68	413.94	5.72	-68.96
CCN1CC[NH+](CCC(=O)NC2=C(C)N(CCC(=O)[O-])N=C2C)CC1	REAL300003470841	1	54	0.0	-75.47	415.09	5.86	-69.61
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)CCN1C=C[NH+]=C1C(C)C	REAL300003470848	1	50	0.0	-67.81	405.59	8.44	-59.37
CC[N@H+](CC(=O)NC1=C(C)N(CCC(=O)[O-])N=C1C)C1CC1	REAL300003470854	0	46	0.0	-69.61	366.34	7.27	-62.34
CC[N@@H+](CC(=O)NC1=C(C)N(CCC(=O)[O-])N=C1C)C1CC1	REAL300003470854	1	46	0.0	-68.69	356.89	7.01	-61.68
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C(C)[NH+]1CCCCCC1	REAL300003470881	0	52	0.0	-69.98	377.60	7.92	-62.06
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300003470919	1	54	0.0	-79.47	430.72	9.17	-70.30
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300003470919	1	54	0.0	-79.38	434.28	9.20	-70.18
CC[NH+](CC)CC1=CC=C(C(=O)NC2=C(C)N(CCC(=O)[O-])N=C2C)O1	REAL300003470958	0	52	0.0	-75.22	413.25	8.42	-66.80
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)CCCC[NH+]1CCCC1	REAL300003470959	0	52	0.0	-74.33	411.51	8.60	-65.73
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1	REAL300003470961	1	55	0.0	-71.79	430.32	8.27	-63.52
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300003470962	1	49	0.0	-77.93	396.81	8.91	-69.02
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300003470962	1	49	0.0	-78.33	394.31	8.83	-69.50
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300003471010	1	45	0.0	-79.94	380.18	6.35	-73.59
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300003471014	0	56	0.0	-80.57	442.24	10.23	-70.34
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300003471014	1	56	0.0	-77.03	430.57	10.14	-66.89
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1CCC[N@H+]1C(C)C	REAL300003471029	0	49	0.0	-69.33	363.37	7.37	-61.96
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1CCC[N@@H+]1C(C)C	REAL300003471029	1	49	0.0	-69.46	364.45	7.13	-62.33
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)COC1CC[NH+](C)CC1	REAL300003471049	0	50	0.0	-79.47	400.18	7.39	-72.08
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003471054	0	53	0.0	-77.87	426.14	8.91	-68.96
CCC[N@@H+]1CCCC(C(=O)NC2=C(C)N(CCC(=O)[O-])N=C2C)C1	REAL300003471204	0	52	0.0	-72.58	400.00	8.21	-64.37
CCC[N@H+]1CCCC(C(=O)NC2=C(C)N(CCC(=O)[O-])N=C2C)C1	REAL300003471204	1	52	0.0	-66.25	398.81	8.54	-57.71
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300003471413	0	52	0.0	-66.34	384.05	8.02	-58.32
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1CCC[N@H+](C(C)C)C1	REAL300003471413	1	52	0.0	-65.49	388.93	8.17	-57.32
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300003471414	0	46	0.0	-83.93	381.59	6.96	-76.97
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300003471414	1	46	0.0	-80.52	367.28	6.81	-73.71
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)CCC1=[NH+]C(C)=C(C)N1	REAL300003471438	1	47	0.0	-68.73	386.72	6.49	-62.24
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300003471830	0	52	0.0	-76.39	420.85	9.62	-66.77
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300003471837	0	53	0.0	-79.91	428.19	8.55	-71.36
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003471927	0	59	0.0	-75.64	455.96	11.10	-64.54
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300003471956	0	46	0.0	-74.29	366.18	6.93	-67.36
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300003471960	0	52	0.0	-71.08	383.66	7.72	-63.36
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CN2C(=C[NH+]=C2C)C=C1	REAL300003471964	0	44	0.0	-69.91	369.35	8.52	-61.39
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1CCC[N@@H+](CC(C)C)C1	REAL300003472017	0	55	0.0	-66.93	414.97	9.18	-57.75
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1CCC[N@H+](CC(C)C)C1	REAL300003472017	1	55	0.0	-67.11	404.65	9.15	-57.96
CC[N@@H+]1CCCC(C(=O)NC2=C(C)N(CCC(=O)[O-])N=C2C)C1	REAL300003472018	0	49	0.0	-72.05	378.55	7.47	-64.58
CC[N@H+]1CCCC(C(=O)NC2=C(C)N(CCC(=O)[O-])N=C2C)C1	REAL300003472018	1	49	0.0	-66.64	374.73	7.71	-58.93
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1CCC[N@@H+](C)C1	REAL300003472022	0	46	0.0	-73.74	360.83	6.82	-66.92
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1CCC[N@H+](C)C1	REAL300003472022	1	46	0.0	-73.72	365.42	6.92	-66.80
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300003472024	1	46	0.0	-80.21	382.33	7.04	-73.17
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300003472111	0	54	0.0	-47.81	419.85	10.24	-37.57
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300003472111	1	54	0.0	-48.88	421.76	10.69	-38.19
CC1C2CCC(CC1O)N2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003472197	0	48	0.0	-49.17	338.62	5.78	-43.39
CC1C2CCC(CC1O)N2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003472197	1	48	0.0	-47.19	337.63	7.01	-40.18
COC1=CC(Br)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003472296	1	41	0.0	-47.14	332.95	6.93	-40.21
COC1=CC(Br)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003472296	1	41	0.0	-47.43	334.60	7.36	-40.07
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC(C1CCC1)C1CCCO1	REAL300003472459	0	51	0.0	-50.57	364.85	8.20	-42.37
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC(C1CCC1)C1CCCO1	REAL300003472459	1	51	0.0	-48.70	372.29	7.71	-40.99
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300003473996	0	50	0.0	-69.40	384.14	10.68	-58.72
CC1=[NH+]C=C2CCC(C(=O)NC(C)(CC3=CC=C(Cl)C=C3)C(=O)[O-])CN12	REAL300003474019	1	48	0.0	-59.92	382.34	10.55	-49.37
CC(C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300003474073	1	51	0.0	-67.37	387.98	7.58	-59.79
C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474100	0	46	0.0	-50.15	355.89	9.35	-40.80
C[N@H+]1CCCC[C@H]1C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474100	1	46	0.0	-53.75	347.40	9.05	-44.70
C[NH+]1CCC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300003474145	0	46	0.0	-69.60	359.34	9.47	-60.13
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)[O-]	REAL300003474172	0	41	0.0	-67.89	344.88	11.33	-56.56
C[NH+](C)CC1(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CCCCC1	REAL300003474196	0	55	0.0	-72.60	391.11	11.99	-60.61
C[N@H+](CCC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1CCCCC1	REAL300003474200	0	55	0.0	-63.15	413.13	11.39	-51.76
C[N@@H+](CCC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1CCCCC1	REAL300003474200	1	55	0.0	-63.94	413.13	11.40	-52.54
C[N@@H+]1CCCC1C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474212	0	43	0.0	-55.74	340.35	8.75	-46.99
C[N@H+]1CCCC1C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474212	1	43	0.0	-56.74	341.01	8.87	-47.87
C[NH+]1CCC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300003474256	0	46	0.0	-69.60	359.34	9.47	-60.13
CC1=[NH+]C=CN1CCCC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474291	1	47	0.0	-65.15	385.69	10.72	-54.43
CC(CC1=CC=C(Cl)C=C1)(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300003474292	1	53	0.0	-72.10	412.99	9.40	-62.70
C[C@@H](C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[NH+](C)C	REAL300003474296	0	42	0.0	-53.38	332.14	8.17	-45.21
C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474297	0	43	0.0	-50.95	330.67	8.16	-42.79
C[N@H+]1CCC[C@@H]1C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474297	1	43	0.0	-54.73	341.00	8.88	-45.85
C[C@H](C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[NH+](C)C	REAL300003474300	0	42	0.0	-58.88	332.88	8.20	-50.68
CCC(C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[NH+](CC)CC	REAL300003474353	0	51	0.0	-50.42	377.31	9.77	-40.65
CC(C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003474355	0	52	0.0	-60.03	409.72	11.77	-48.26
CC(C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003474355	1	52	0.0	-54.39	408.09	11.71	-42.68
C[NH+](C)CC1=CC=C(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C=N1	REAL300003474368	0	48	0.0	-77.83	388.62	9.84	-67.99
CCC[NH+](CCC)CCCC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474371	0	57	0.0	-65.68	437.28	12.03	-53.65
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474380	1	47	0.0	-52.61	377.56	10.43	-42.18
C[NH+](C)CC1(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300003474393	0	46	0.0	-54.40	366.07	9.64	-44.76
C[NH+](C)CCCCC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474398	0	48	0.0	-71.12	380.08	9.96	-61.16
CC1=C(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003474412	1	47	0.0	-78.01	390.47	9.65	-68.36
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300003474420	1	49	0.0	-75.26	398.13	9.94	-65.32
C[NH+](C)CCC1=CC=C(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C=C1	REAL300003474421	0	52	0.0	-85.51	415.34	12.16	-73.35
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474426	1	45	0.0	-56.33	364.01	8.80	-47.53
CCC[N@H+](C)CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474430	0	45	0.0	-56.19	353.96	9.16	-47.03
CCC[N@@H+](C)CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474430	1	45	0.0	-56.38	353.96	9.15	-47.23
C[N@H+](CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1CCC1	REAL300003474443	0	46	0.0	-53.32	360.96	9.72	-43.60
C[N@@H+](CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1CCC1	REAL300003474443	1	46	0.0	-54.63	360.85	9.71	-44.92
CC(C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[NH+]1CCSCC1	REAL300003474460	1	47	0.0	-57.33	370.11	9.59	-47.74
C[N@H+](CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])CC(C)(C)C	REAL300003474462	0	51	0.0	-55.59	382.55	10.17	-45.42
C[N@@H+](CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])CC(C)(C)C	REAL300003474462	1	51	0.0	-56.25	384.51	10.28	-45.97
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474464	0	52	0.0	-58.63	413.86	12.18	-46.45
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474464	1	52	0.0	-58.35	413.86	12.18	-46.17
CC[C@@H](C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[NH+](C)C	REAL300003474466	0	45	0.0	-50.90	345.39	8.64	-42.26
C[N@@H+]1CCCC(O)(CC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300003474468	0	50	0.0	-64.25	382.17	7.81	-56.44
C[N@H+]1CCCC(O)(CC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300003474468	1	50	0.0	-64.72	372.45	7.64	-57.08
CCCCCC[N@H+](C)CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474479	0	54	0.0	-57.07	418.45	11.49	-45.58
CCCCCC[N@@H+](C)CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474479	1	54	0.0	-57.15	418.45	11.50	-45.65
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300003474494	1	41	0.0	-75.77	345.15	11.35	-64.42
C[N@H+](CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1CCSC1	REAL300003474502	0	47	0.0	-59.02	375.46	9.96	-49.06
C[N@@H+](CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1CCSC1	REAL300003474502	1	47	0.0	-61.97	374.09	9.96	-52.01
CC(C)[NH+]1CCN(CCC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300003474517	0	57	0.0	-67.87	430.08	8.99	-58.88
CC(C)N1CC[NH+](CCC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300003474517	1	57	0.0	-62.03	426.39	8.78	-53.25
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300003474518	0	50	0.0	-50.40	379.19	10.59	-39.81
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300003474518	1	50	0.0	-50.36	379.41	10.58	-39.78
C[NH+](C)CCN1C=C(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C=N1	REAL300003474519	0	49	0.0	-76.98	399.03	9.33	-67.65
C[NH+](C)CCN1C=CC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=N1	REAL300003474549	0	49	0.0	-86.63	399.40	9.37	-77.26
C[NH+](C)CCN1N=CC=C1C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474550	0	49	0.0	-51.09	394.44	9.19	-41.90
C[C@@H]1[C@H](C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300003474552	0	46	0.0	-68.46	352.27	8.98	-59.48
C[C@@H]1[C@H](C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300003474552	1	46	0.0	-62.62	352.33	8.91	-53.71
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474553	1	50	0.0	-59.02	400.67	10.95	-48.07
CC[C@@H]1[C@@H](C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300003474556	0	49	0.0	-67.76	371.98	9.45	-58.31
CC[C@@H]1[C@@H](C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300003474556	1	49	0.0	-59.10	375.32	10.05	-49.05
CC1C[N@H+](C)CC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])O1	REAL300003474563	1	47	0.0	-79.41	366.56	8.61	-70.80
CC1C[N@@H+](C)CC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])O1	REAL300003474563	1	47	0.0	-71.31	366.57	8.61	-62.70
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C[NH+]1CCCC1)C(=O)[O-]	REAL300003474568	0	43	0.0	-55.15	338.68	8.76	-46.39
CC1=[NH+]C=CN1CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474570	1	41	0.0	-54.21	344.15	9.45	-44.76
CC(C[NH+]1CCOCC1)C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474572	1	50	0.0	-63.29	386.04	8.54	-54.75
CC1CC[NH+](CC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300003474591	0	49	0.0	-56.88	377.67	10.24	-46.64
CC[N@@H+]1CCOC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300003474602	1	47	0.0	-70.01	362.81	8.33	-61.68
CC[N@H+]1CCOC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300003474602	1	47	0.0	-76.96	369.92	8.55	-68.41
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003474629	0	56	0.0	-58.72	420.20	11.70	-47.02
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003474629	1	56	0.0	-60.74	419.36	11.67	-49.07
C[N@@H+]1CCCC1CCC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474634	0	49	0.0	-69.96	382.05	10.31	-59.65
C[N@H+]1CCCC1CCC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474634	1	49	0.0	-65.83	376.68	9.83	-56.00
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300003474644	0	50	0.0	-52.70	382.55	10.78	-41.92
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300003474644	1	50	0.0	-52.70	382.51	10.75	-41.95
CC[NH+](CC)CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474663	0	45	0.0	-54.49	346.31	8.82	-45.67
CC(C)[NH+]1CCC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300003474665	0	52	0.0	-69.39	389.97	10.42	-58.97
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C12CC[NH+](CC1)C2)C(=O)[O-]	REAL300003474729	0	44	0.0	-68.01	346.35	8.35	-59.66
CCC(C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[NH+](C)C	REAL300003474732	0	45	0.0	-57.59	345.23	8.66	-48.93
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C12CC[N@H+](C1)CCC2)C(=O)[O-]	REAL300003474739	0	47	0.0	-67.88	356.31	9.03	-58.85
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C12CC[N@@H+](C1)CCC2)C(=O)[O-]	REAL300003474739	1	47	0.0	-67.94	356.85	8.97	-58.97
CC1CCC(C)[NH+]1CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474773	0	49	0.0	-51.10	367.85	9.52	-41.58
C[NH+](C)CC1=CC=CC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=C1	REAL300003474774	0	49	0.0	-74.07	392.91	11.32	-62.75
C#CC[NH+]1CCC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300003474814	0	48	0.0	-72.00	384.50	10.67	-61.33
CC[NH+]1CCN(CCC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300003474816	0	54	0.0	-72.51	412.18	8.32	-64.19
CCN1CC[NH+](CCC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300003474816	1	54	0.0	-62.82	413.34	8.47	-54.35
CC(C)[N@H+](C)CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474817	0	45	0.0	-53.45	349.15	8.93	-44.52
CC(C)[N@@H+](C)CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474817	1	45	0.0	-53.44	349.13	8.93	-44.51
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474821	1	50	0.0	-58.44	400.16	10.97	-47.47
CC[N@H+](CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1CC1	REAL300003474827	0	46	0.0	-52.56	359.97	9.54	-43.02
CC[N@@H+](CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])C1CC1	REAL300003474827	1	46	0.0	-52.74	359.61	9.51	-43.23
CC(C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300003474845	0	52	0.0	-56.63	379.22	10.33	-46.30
C[N@@H+]1CCC[C@H]1C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474848	0	43	0.0	-53.81	340.39	8.75	-45.06
C[N@H+]1CCC[C@H]1C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474848	1	43	0.0	-61.72	334.64	8.28	-53.44
CC(C)(C)[NH2+]CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474902	0	45	0.0	-54.71	353.68	7.54	-47.17
CC[NH+](CC)CC1=CC=C(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])O1	REAL300003474903	0	52	0.0	-75.54	414.56	11.04	-64.50
CC(CC1=CC=C(Cl)C=C1)(NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300003474904	0	52	0.0	-68.99	406.05	11.13	-57.86
C[N@H+](CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300003474906	1	49	0.0	-59.21	391.38	11.33	-47.88
C[N@@H+](CC(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300003474906	1	49	0.0	-59.76	391.39	11.33	-48.43
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003474928	1	44	0.0	-76.01	374.02	9.29	-66.72
C[NH+](C)CC1=CC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=NO1	REAL300003474942	1	45	0.0	-77.49	372.82	8.83	-68.66
CC(C)[N@@H+]1CCCC1C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474954	0	49	0.0	-53.45	373.05	9.81	-43.64
CC(C)[N@H+]1CCCC1C(=O)NC(C)(CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003474954	1	49	0.0	-61.17	363.44	10.13	-51.04
C[NH+]1CCC(OCC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300003474969	0	50	0.0	-77.17	394.67	9.54	-67.63
CCC[N@@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300003475083	0	52	0.0	-54.94	392.20	10.96	-43.98
CCC[N@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300003475083	1	52	0.0	-54.90	392.21	10.96	-43.94
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300003475101	1	50	0.0	-57.29	388.51	6.93	-50.36
CC(C)[N@@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300003475239	0	52	0.0	-62.20	393.60	10.61	-51.59
CC(C)[N@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300003475239	1	52	0.0	-48.65	384.54	10.64	-38.01
C[N@@H+]1CC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003475240	0	46	0.0	-66.74	360.61	9.34	-57.40
C[N@H+]1CC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003475240	1	46	0.0	-63.97	366.12	9.34	-54.63
CC1=C(C)[NH+]=C(CCC(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])N1	REAL300003475261	1	47	0.0	-58.70	384.96	9.10	-49.60
C[NH+](C)CCC1=CC=CC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])=C1	REAL300003475575	0	52	0.0	-76.77	415.35	12.16	-64.61
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300003475679	0	46	0.0	-69.74	364.46	9.54	-60.20
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])CC1	REAL300003475683	0	52	0.0	-68.02	387.01	10.41	-57.61
CC1=[NH+]C=C2C=CC(C(=O)NC(C)(CC3=CC=C(Cl)C=C3)C(=O)[O-])=CN12	REAL300003475686	0	44	0.0	-64.62	366.25	11.11	-53.51
CC(C)C[N@@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300003475727	0	55	0.0	-55.67	409.68	11.66	-44.01
CC(C)C[N@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300003475727	1	55	0.0	-49.08	404.11	11.47	-37.61
CC[N@@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300003475728	0	49	0.0	-63.23	376.95	10.09	-53.14
CC[N@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300003475728	1	49	0.0	-63.28	376.98	10.09	-53.19
C[N@@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300003475733	0	46	0.0	-55.21	353.06	9.56	-45.65
C[N@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])C1	REAL300003475733	1	46	0.0	-63.49	359.29	9.42	-54.07
C[NH+](C)CC1=CC=C(C(=O)NC(C)(CC2=CC=C(Cl)C=C2)C(=O)[O-])O1	REAL300003475735	1	46	0.0	-78.94	378.20	9.57	-69.37
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300003475743	0	48	0.0	-64.74	372.99	10.51	-54.23
CC(CC1=CC=C(Cl)C=C1)(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300003475743	1	48	0.0	-59.98	366.05	10.84	-49.14
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC3=C2CCOC3)C1	REAL300003475822	0	48	0.0	-49.29	366.50	7.32	-41.97
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=CC3=C2CCOC3)C1	REAL300003475822	1	48	0.0	-47.22	360.30	7.30	-39.92
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCC1CCCS1	REAL300003475898	0	44	0.0	-49.82	342.97	7.57	-42.25
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCC1CCCS1	REAL300003475898	1	44	0.0	-49.93	336.84	7.55	-42.38
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1(C2CCCCO2)CCC1	REAL300003475997	0	54	0.0	-45.37	383.98	7.71	-37.66
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1(C2CCCCO2)CCC1	REAL300003475997	1	54	0.0	-47.92	382.80	8.28	-39.64
O=C([O-])C1CCC[N@H+](CC(=O)NCC(=O)NC2=CC=C(F)C=C2)C1	REAL300003476121	0	44	0.0	-51.24	347.86	5.41	-45.83
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(=O)NC2=CC=C(F)C=C2)C1	REAL300003476121	1	44	0.0	-49.53	349.80	5.85	-43.68
CC1(C)C=CC2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2O1	REAL300003476236	1	49	0.0	-48.79	375.30	9.20	-39.59
CC1(C)C=CC2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2O1	REAL300003476236	1	49	0.0	-47.75	369.88	9.23	-38.52
O=C([O-])C1(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CCCOC1	REAL300003477585	0	54	0.0	-63.49	400.86	9.07	-54.42
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CCCOC1	REAL300003478330	0	51	0.0	-47.27	381.08	8.30	-38.97
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CCCOC1	REAL300003478330	1	51	0.0	-46.58	382.11	8.40	-38.18
O=C([O-])C1(CNC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CCCOC1	REAL300003479178	1	51	0.0	-44.99	392.94	8.38	-36.61
O=C([O-])C1(CNC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CCCOC1	REAL300003479178	1	51	0.0	-49.07	398.96	8.92	-40.15
O=C([O-])C1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCCOC1	REAL300003479254	0	48	0.0	-56.01	349.19	6.71	-49.30
CC1=[NH+]C=C2CCC(C(=O)NCC3(C(=O)[O-])CCCOC3)CN21	REAL300003479287	1	46	0.0	-52.13	348.14	6.61	-45.52
O=C([O-])C1(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CCCOC1	REAL300003479288	0	54	0.0	-56.12	398.04	8.81	-47.31
CC1=NC(C[NH+]2CCC(C(=O)NCC3(C(=O)[O-])CCCOC3)CC2)=CS1	REAL300003479362	1	53	0.0	-61.38	407.86	6.78	-54.60
CC(C(=O)NCC1(C(=O)[O-])CCCOC1)N1CC[NH+](C)CC1	REAL300003479363	1	49	0.0	-66.97	355.96	3.96	-63.01
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2(C(=O)[O-])CCCOC2)C=C1	REAL300003479448	0	57	0.0	-73.07	436.71	8.87	-64.20
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CC[N@@H+](CC1=CC=C(C(=O)NCC2=CC(C(=O)[O-])=CO2)C=C1)C(C)C	REAL300003485212	1	49	0.0	-72.38	375.76	8.51	-63.87
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CC(C(=O)NCC1=CC(C(=O)[O-])=CO1)[N@@H+](C)CC1=CC=CC=C1	REAL300003485262	1	43	0.0	-67.97	353.16	7.85	-60.12
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CC(C)C[N@@H+]1CCCC(C(=O)NCC2=CC(C(=O)[O-])=CO2)C1	REAL300003487003	0	46	0.0	-64.10	350.47	7.72	-56.38
CC(C)C[N@H+]1CCCC(C(=O)NCC2=CC(C(=O)[O-])=CO2)C1	REAL300003487003	1	46	0.0	-68.20	359.45	7.53	-60.67
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=CC(C(=O)[O-])=CO2)C1	REAL300003487009	0	46	0.0	-73.46	340.62	6.49	-66.97
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=CC(C(=O)[O-])=CO2)C1	REAL300003487009	1	46	0.0	-72.57	348.27	6.96	-65.61
CC1=CC=CC=C1[C@@H](C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003487048	0	46	0.0	-47.79	347.84	8.74	-39.05
CC1=CC=CC=C1[C@@H](C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003487048	1	46	0.0	-47.91	342.38	8.78	-39.13
CC1=CC=CC=C1[C@H](C)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003487149	0	49	0.0	-48.07	359.37	10.32	-37.75
CC1=CC=CC=C1[C@H](C)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003487149	1	49	0.0	-46.97	361.55	10.41	-36.56
CC1=CC=CC=C1[C@@H](C)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003487231	0	49	0.0	-47.37	362.41	10.76	-36.61
CC1=CC=CC=C1[C@@H](C)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003487231	1	49	0.0	-48.48	363.63	10.79	-37.69
CC1=CC=C(CC2(C)CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003487334	0	56	0.0	-46.87	409.73	12.15	-34.72
CC1=CC=C(CC2(C)CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003487334	1	56	0.0	-47.60	409.60	12.15	-35.45
CC1=CC=CC(CC2(C)CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003487445	0	56	0.0	-47.58	403.32	12.12	-35.46
CC1=CC=CC(CC2(C)CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003487445	1	56	0.0	-43.84	402.29	11.67	-32.17
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2C=C1	REAL300003487636	0	55	0.0	-50.46	412.28	11.49	-38.97
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2C=C1	REAL300003487636	1	55	0.0	-51.13	412.16	11.50	-39.63
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C(F)(F)F)CCCC2)C1	REAL300003487807	0	46	0.0	-47.15	352.08	8.32	-38.83
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C(F)(F)F)CCCC2)C1	REAL300003487807	1	46	0.0	-46.60	345.88	8.30	-38.30
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3=CC=C(Cl)C=C32)C1	REAL300003487931	0	44	0.0	-49.70	354.74	9.14	-40.56
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3=CC=C(Cl)C=C32)C1	REAL300003487931	1	44	0.0	-49.53	354.69	9.16	-40.37
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2C=C1	REAL300003488092	0	52	0.0	-47.97	382.72	10.96	-37.01
CC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2C=C1	REAL300003488092	1	52	0.0	-46.80	381.57	10.52	-36.28
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCCC3=CC=C(Cl)C=C32)C1	REAL300003488211	0	47	0.0	-49.88	367.23	9.64	-40.24
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CCCC3=CC=C(Cl)C=C32)C1	REAL300003488211	1	47	0.0	-46.82	360.06	9.58	-37.24
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003488287	0	46	0.0	-47.66	347.37	8.85	-38.81
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003488287	1	46	0.0	-46.36	341.96	8.90	-37.46
COC1=CC=C2C(=C1)CCCC2NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003488389	0	51	0.0	-50.52	378.71	8.38	-42.14
COC1=CC=C2C(=C1)CCCC2NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003488389	1	51	0.0	-51.21	379.64	8.41	-42.80
COCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003488508	0	44	0.0	-51.27	339.60	7.06	-44.21
COCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003488508	1	44	0.0	-51.76	345.95	7.03	-44.73
CC1=COC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C12	REAL300003488586	0	43	0.0	-50.78	333.02	7.90	-42.88
CC1=COC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C12	REAL300003488586	1	43	0.0	-52.37	333.81	8.36	-44.01
COC1=CC=C(CN2CCC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=O)C=C1	REAL300003488696	0	55	0.0	-56.00	430.46	7.82	-48.18
COC1=CC=C(CN2CCC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=O)C=C1	REAL300003488696	1	55	0.0	-55.21	431.66	7.84	-47.37
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)C1	REAL300003488815	0	48	0.0	-60.36	379.29	7.95	-52.41
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCN(C3=CC=C(F)C=C3)C2=O)C1	REAL300003488815	1	48	0.0	-59.51	377.60	7.92	-51.59
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCCC2CC2=CC=CC=C2Cl)C1	REAL300003488925	0	56	0.0	-47.60	416.10	13.00	-34.60
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCCC2CC2=CC=CC=C2Cl)C1	REAL300003488925	1	56	0.0	-50.47	403.53	12.58	-37.89
COC1=CC=CC=C1N1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1=O	REAL300003489077	0	52	0.0	-58.16	408.99	7.52	-50.64
COC1=CC=CC=C1N1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1=O	REAL300003489077	1	52	0.0	-57.48	403.51	7.55	-49.93
CC1=CC=C(CN2CCC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=O)C=C1	REAL300003489203	0	54	0.0	-56.50	422.70	9.19	-47.31
CC1=CC=C(CN2CCC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=O)C=C1	REAL300003489203	1	54	0.0	-54.09	423.54	9.22	-44.87
CCCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300003489327	0	50	0.0	-50.88	382.89	9.07	-41.81
CCCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300003489327	1	50	0.0	-51.44	377.66	9.09	-42.35
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC3=CC(F)=CC=C3C2)C1	REAL300003489451	0	45	0.0	-51.41	348.02	8.68	-42.73
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC3=CC(F)=CC=C3C2)C1	REAL300003489451	1	45	0.0	-51.14	348.17	8.68	-42.46
CC(C)(C)N1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1=O	REAL300003489701	0	50	0.0	-51.94	373.13	6.59	-45.35
CC(C)(C)N1CCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1=O	REAL300003489701	1	50	0.0	-54.73	374.65	6.61	-48.12
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCN(C2CCCCC2)C1=O	REAL300003489820	0	54	0.0	-52.06	392.67	7.97	-44.09
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCN(C2CCCCC2)C1=O	REAL300003489820	1	54	0.0	-55.91	398.48	7.93	-47.98
COCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300003489948	0	48	0.0	-52.56	371.67	6.55	-46.01
COCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300003489948	1	48	0.0	-53.25	366.45	6.55	-46.70
CCCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300003490072	1	47	0.0	-53.22	369.05	8.40	-44.82
CCCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300003490072	1	47	0.0	-57.42	363.83	8.40	-49.02
CC=CCC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003490187	0	50	0.0	-46.25	367.76	10.14	-36.11
CC=CCC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003490187	1	50	0.0	-43.06	362.36	9.74	-33.32
COC1=CC=C(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C=C1F	REAL300003490306	0	51	0.0	-51.97	393.22	9.58	-42.39
COC1=CC=C(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C=C1F	REAL300003490306	1	51	0.0	-49.18	385.79	9.14	-40.04
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CNC3=C(Cl)C=CC=C23)C1	REAL300003490436	0	47	0.0	-49.41	378.75	8.28	-41.13
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CNC3=C(Cl)C=CC=C23)C1	REAL300003490436	1	47	0.0	-52.55	380.66	8.73	-43.82
COCC1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300003490530	0	48	0.0	-49.78	355.31	6.15	-43.63
COCC1(C)CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300003490530	1	48	0.0	-50.45	354.95	5.97	-44.48
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCN(C2CCOCC2)C1=O	REAL300003490639	0	52	0.0	-55.75	390.06	5.58	-50.17
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCN(C2CCOCC2)C1=O	REAL300003490639	1	52	0.0	-56.65	388.87	5.55	-51.10
CC1=NOC(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCOCC2)=C1	REAL300003490777	0	50	0.0	-56.47	370.16	6.63	-49.84
CC1=NOC(C2(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCOCC2)=C1	REAL300003490777	1	50	0.0	-57.13	376.97	6.67	-50.46
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(CC3=CC4=CC=CC=C4N3)CC2)C1	REAL300003490893	0	56	0.0	-47.16	413.09	8.22	-38.94
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(CC3=CC4=CC=CC=C4N3)CC2)C1	REAL300003490893	1	56	0.0	-48.61	419.59	8.45	-40.16
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC3(C2)CC(F)(F)C3)C1	REAL300003490986	0	44	0.0	-51.29	345.80	7.88	-43.41
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CC3(C2)CC(F)(F)C3)C1	REAL300003490986	1	44	0.0	-51.72	339.63	7.89	-43.83
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC(F)=CC(Br)=C3C2)C1	REAL300003491086	0	44	0.0	-45.16	350.62	9.76	-35.40
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC(F)=CC(Br)=C3C2)C1	REAL300003491086	1	44	0.0	-45.29	351.78	10.19	-35.10
COCC(C)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCC2=CC=CC=C21	REAL300003491186	0	57	0.0	-44.52	418.69	10.89	-33.63
COCC(C)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCC2=CC=CC=C21	REAL300003491186	1	57	0.0	-45.26	420.36	10.93	-34.33
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(CCC1=CC=CC=C1)C(F)F	REAL300003491290	0	52	0.0	-46.61	395.67	11.68	-34.93
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(CCC1=CC=CC=C1)C(F)F	REAL300003491290	1	52	0.0	-49.61	396.32	12.11	-37.50
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCN(C2CCC2)C1=O	REAL300003491395	0	48	0.0	-55.90	356.36	6.46	-49.44
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCN(C2CCC2)C1=O	REAL300003491395	1	48	0.0	-55.73	362.05	6.61	-49.12
CCC1=CC=C(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300003491518	0	56	0.0	-47.51	414.87	12.41	-35.10
CCC1=CC=C(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300003491518	1	56	0.0	-44.63	407.38	11.95	-32.68
O=C([O-])C1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC2=CC=CC=C21	REAL300003492760	0	54	0.0	-91.16	404.73	12.60	-78.56
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC2=CC=CC=C21	REAL300003493444	0	51	0.0	-68.34	382.45	11.72	-56.62
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC2=CC=CC=C21	REAL300003493444	1	51	0.0	-73.18	386.40	12.09	-61.09
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC2=CC=CC=C21	REAL300003494282	1	51	0.0	-82.76	403.61	12.56	-70.20
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC2=CC=CC=C21	REAL300003494282	1	51	0.0	-76.21	403.26	12.62	-63.59
O=C([O-])C1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC2=CC=CC=C21	REAL300003494365	0	48	0.0	-78.43	350.52	11.05	-67.38
O=C([O-])C1CN(C(=O)C2CCC[N@@H+]2C2CC2)CC2=CC=CC=C21	REAL300003494394	0	45	0.0	-73.67	342.06	10.01	-63.66
O=C([O-])C1CN(C(=O)C2CCC[N@H+]2C2CC2)CC2=CC=CC=C21	REAL300003494394	1	45	0.0	-74.03	335.40	9.45	-64.58
CC1=[NH+]C=C2CCC(C(=O)N3CC4=CC=CC=C4C(C(=O)[O-])C3)CN12	REAL300003494400	1	46	0.0	-72.40	349.63	10.03	-62.37
O=C([O-])C1CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC2=CC=CC=C21	REAL300003494401	0	54	0.0	-62.35	395.41	12.80	-49.55
CC1=NC(C[NH+]2CCC(C(=O)N3CC4=CC=CC=C4C(C(=O)[O-])C3)CC2)=CS1	REAL300003494480	1	53	0.0	-90.56	412.09	10.36	-80.20
C[N@@H+]1CCCCC1C(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300003494481	0	44	0.0	-70.94	318.27	9.48	-61.46
C[N@H+]1CCCCC1C(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300003494481	1	44	0.0	-74.19	328.63	9.26	-64.93
CC(C(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300003494482	1	49	0.0	-80.80	358.04	7.34	-73.46
C[N@@H+]1CCCC[C@H]1C(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300003494525	0	44	0.0	-72.05	328.86	9.27	-62.78
C[N@H+]1CCCC[C@H]1C(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1	REAL300003494525	1	44	0.0	-75.60	317.32	8.77	-66.83
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C=C1	REAL300003494570	0	57	0.0	-85.04	439.67	13.24	-71.80
CC1(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003494582	0	57	0.0	-57.28	408.72	13.49	-43.79
C[NH+]1CCC(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CC1	REAL300003494616	0	44	0.0	-82.29	325.65	9.84	-72.45
O=C([O-])C1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC2=CC=CC=C21	REAL300003494641	0	39	0.0	-81.44	321.10	10.97	-70.47
C[NH+](C)CC1(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)CCCCC1	REAL300003494675	0	53	0.0	-84.82	363.66	11.03	-73.79
C[N@H+](CCC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1CCCCC1	REAL300003494680	0	53	0.0	-70.77	384.02	12.11	-58.66
C[N@@H+](CCC(=O)N1CC2=CC=CC=C2C(C(=O)[O-])C1)C1CCCCC1	REAL300003494680	1	53	0.0	-71.81	384.07	12.11	-59.70
O=C([O-])C1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC2=CC=CC=C21	REAL300003494698	1	54	0.0	-60.55	400.42	12.53	-48.02
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CC[N@H+]1CCCC(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300003497114	1	47	0.0	-77.80	338.71	9.66	-68.14
C[N@@H+]1CCCC(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300003497118	0	44	0.0	-78.21	321.05	9.01	-69.20
C[N@H+]1CCCC(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300003497118	1	44	0.0	-78.21	321.05	9.01	-69.20
CN(C)CC1=CC=C(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)O1	REAL300003497120	0	44	0.0	-91.27	348.66	9.40	-81.87
C[NH+](C)CC1=CC=C(C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)O1	REAL300003497120	1	44	0.0	-91.27	348.66	9.40	-81.87
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300003497126	0	53	0.0	-93.86	368.96	11.06	-82.80
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC3=CC=CC=C3C(C(=O)[O-])C2)C1	REAL300003497126	1	53	0.0	-93.86	368.96	11.06	-82.80
O=C([O-])C1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC2=CC=CC=C21	REAL300003497129	0	46	0.0	-75.98	339.24	10.59	-65.39
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=C(F)C=CC=C3F)CCC2)C1	REAL300003497199	0	47	0.0	-47.13	354.91	9.14	-37.99
CCCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OC	REAL300003497317	0	51	0.0	-53.14	386.86	8.23	-44.91
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CSC(C(F)(F)F)=C2)C1	REAL300003497446	0	40	0.0	-47.99	341.12	7.53	-40.46
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CNC3=CC(F)=C(Cl)C=C23)C1	REAL300003497573	0	47	0.0	-53.30	386.54	8.78	-44.52
CC1=CC=C(N(CC2CC2)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300003497683	0	50	0.0	-44.39	382.27	11.63	-32.76
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=CC=C2CC(F)(F)F)C1	REAL300003497805	0	46	0.0	-49.94	362.19	9.13	-40.81
CC1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300003497907	0	47	0.0	-41.45	344.29	9.78	-31.67
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(CCSCC3)CC2)C1	REAL300003498050	0	51	0.0	-48.12	354.48	9.77	-38.35
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(CCSCC3)CC2)C1	REAL300003498050	1	51	0.0	-48.75	360.69	9.62	-39.13
CCC(CC)(CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003499416	0	55	0.0	-65.17	404.16	10.42	-54.75
CCC(CC)(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003500193	0	52	0.0	-50.48	383.61	10.03	-40.45
CCC(CC)(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003500193	1	52	0.0	-53.14	387.44	9.82	-43.32
CCC(CC)(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003500995	1	52	0.0	-57.02	404.67	10.38	-46.64
CCC(CC)(CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300003500995	1	52	0.0	-53.27	396.63	10.03	-43.24
CCC(CC)(CNC(=O)C1CCC2=C[NH+]=C(C)N2C1)C(=O)[O-]	REAL300003501087	1	47	0.0	-53.61	349.20	8.25	-45.36
CCC(CC)(CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300003501088	0	55	0.0	-57.66	398.67	9.85	-47.81
CCC(CC)(CNC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300003501153	1	54	0.0	-61.33	406.86	8.32	-53.01
CCC(CC)(CNC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003501231	0	58	0.0	-68.06	432.93	10.22	-57.84
CCC(CC)(CNC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003501245	0	58	0.0	-74.10	437.89	12.24	-61.86
CCC(CC)(CNC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003501245	1	58	0.0	-72.95	437.90	12.25	-60.70
CCC(CC)(CNC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003501246	0	58	0.0	-48.58	414.61	11.13	-37.45
CCC(CC)(CNC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300003501329	0	54	0.0	-45.55	367.72	8.82	-36.73
CCC(CC)(CNC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300003501332	0	54	0.0	-58.14	381.45	8.77	-49.37
CCC(CC)(CNC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300003501332	1	54	0.0	-55.01	376.74	8.91	-46.10
CCC(CC)(CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003501356	1	55	0.0	-52.46	398.70	10.23	-42.23
CCC(CC)(CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003501356	1	55	0.0	-49.51	395.66	10.54	-38.97
CCC(CC)(CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003501357	1	52	0.0	-54.97	394.35	9.93	-45.04
CCC(CC)(CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003501357	1	52	0.0	-48.51	385.43	9.31	-39.20
CCC(CC)(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300003501411	0	48	0.0	-69.66	371.87	8.16	-61.50
CCC(CC)(CNC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300003501416	0	58	0.0	-71.09	431.61	10.09	-61.00
CCC(CC)(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300003501442	0	55	0.0	-47.47	378.98	9.15	-38.32
CCC(CC)(CNC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300003501442	1	55	0.0	-48.35	379.08	9.33	-39.02
CCC(CC)(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300003501443	0	56	0.0	-63.53	392.11	7.77	-55.76
CCC(CC)(CNC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300003501471	1	52	0.0	-64.46	378.64	7.09	-57.37
CC[N@H+](CC1=CC=C(C(=O)NCC(CC)(CC)C(=O)[O-])C=C1)C(C)C	REAL300003501473	0	57	0.0	-66.99	409.73	10.27	-56.72
CC[N@@H+](CC1=CC=C(C(=O)NCC(CC)(CC)C(=O)[O-])C=C1)C(C)C	REAL300003501473	1	57	0.0	-65.63	398.37	10.14	-55.49
CCC(CC)(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003501497	0	52	0.0	-58.69	386.05	9.99	-48.70
CCC(CC)(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003501497	1	52	0.0	-57.67	385.38	10.00	-47.67
CCC(CC)(CNC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300003501498	0	53	0.0	-66.22	380.19	9.13	-57.09
CCC(CC)(CNC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300003501521	1	57	0.0	-61.61	411.74	8.62	-52.99
CCC(CC)(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300003501522	0	56	0.0	-57.18	375.64	7.23	-49.95
CCC(CC)(CNC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003501525	0	51	0.0	-48.53	377.01	9.47	-39.06
CCC(CC)(CNC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003501525	1	51	0.0	-51.35	377.82	9.14	-42.21
CCC(CC)(CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003501535	0	58	0.0	-51.50	415.73	11.58	-39.92
CCC(CC)(CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003501535	1	58	0.0	-55.01	420.42	11.43	-43.58
CCC(CC)(CNC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300003501566	0	47	0.0	-67.22	354.79	7.50	-59.72
CCC[NH+](CCC)CCCC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300003501577	0	56	0.0	-61.56	405.59	9.38	-52.18
CCC(CC)(CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300003501578	1	56	0.0	-51.58	410.36	7.33	-44.25
CC[N@H+](C)C(C(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=CC=C1	REAL300003501579	0	51	0.0	-54.21	370.37	9.11	-45.10
CC[N@@H+](C)C(C(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=CC=C1	REAL300003501579	1	51	0.0	-47.27	375.55	9.31	-37.96
CC[NH+](CC)C(C(=O)NCC(CC)(CC)C(=O)[O-])C1=CC=CC=C1	REAL300003501584	0	54	0.0	-42.18	380.00	9.61	-32.57
CCC(CC)(CNC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300003501590	1	48	0.0	-50.78	374.43	9.18	-41.60
CCC(CC)(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300003501604	0	52	0.0	-70.16	385.11	9.73	-60.43
CCC(CC)(CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300003501611	0	55	0.0	-67.79	400.58	10.83	-56.96
CCN1CCC([NH+]2CCC(C(=O)NCC(CC)(CC)C(=O)[O-])CC2)CC1	REAL300003501617	0	63	0.0	-63.09	437.90	8.13	-54.96
CCC(CC)(CNC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300003501624	1	59	0.0	-73.89	436.02	9.54	-64.35
CCC(CC)(CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003501633	1	56	0.0	-65.86	405.88	9.81	-56.05
CCC(CC)(CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003501633	1	56	0.0	-68.61	410.65	9.66	-58.95
CCC(CC)(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003501647	0	55	0.0	-49.07	392.27	10.16	-38.91
CCC(CC)(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003501647	1	55	0.0	-49.13	392.22	10.16	-38.97
CCC(CC)(CNC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003501649	1	46	0.0	-71.31	352.49	7.18	-64.13
CCC(CC)(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300003501657	0	55	0.0	-69.55	397.73	10.63	-58.92
CCC(CC)(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300003501669	1	48	0.0	-71.21	361.74	7.42	-63.79
CCC(CC)(CNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003501670	0	51	0.0	-74.42	383.68	9.50	-64.92
CCC(CC)(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003501678	1	53	0.0	-44.90	385.29	9.20	-35.70
CCC(CC)(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003501678	1	53	0.0	-61.89	390.05	9.05	-52.84
CCC(CC)(CNC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300003501684	0	62	0.0	-61.08	440.03	11.72	-49.36
CCC(CC)(CNC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300003501684	1	62	0.0	-64.08	447.22	12.00	-52.08
CCC(CC)(CNC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003501692	0	61	0.0	-52.86	435.88	11.51	-41.35
CCC(CC)(CNC(=O)C(C)[NH+]1CCSCC1)C(=O)[O-]	REAL300003501724	1	46	0.0	-49.66	332.61	7.10	-42.56
CCC(CC)(CNC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003501731	0	51	0.0	-56.60	382.17	9.61	-46.99
CCC(CC)(CNC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003501731	1	51	0.0	-53.40	377.46	9.77	-43.63
CCC(CC)(CNC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300003501732	0	55	0.0	-61.19	411.21	5.80	-55.39
CCC(CC)(CNC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300003501732	1	55	0.0	-59.77	411.16	5.79	-53.98
CCC(CC)(CNC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300003501735	0	49	0.0	-59.10	353.34	5.52	-53.58
CCC(CC)(CNC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300003501735	1	49	0.0	-55.01	343.64	5.32	-49.69
CCC(CC)(CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003501743	0	60	0.0	-63.83	434.68	9.64	-54.19
CCC(CC)(CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300003501744	1	54	0.0	-49.22	382.57	8.59	-40.63
CCC(CC)(CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C(=O)[O-]	REAL300003501744	1	54	0.0	-46.75	391.96	8.73	-38.02
CCCCCC[N@H+](C)CC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300003501746	0	53	0.0	-54.30	386.76	8.92	-45.38
CCCCCC[N@@H+](C)CC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300003501746	1	53	0.0	-54.27	386.76	8.92	-45.35
CCC(CC)(CNC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300003501770	0	46	0.0	-56.08	342.37	7.39	-48.69
CCC(CC)(CNC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300003501770	1	46	0.0	-53.61	339.05	7.56	-46.05
CCC(CC)(CNC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003501781	0	56	0.0	-62.97	398.38	6.35	-56.62
CCC(CC)(CNC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003501781	1	56	0.0	-58.06	394.69	6.14	-51.92
CCC(CC)(CNC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003501782	0	59	0.0	-62.15	417.23	7.48	-54.67
CCC(CC)(CNC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003501782	1	59	0.0	-59.71	413.54	7.27	-52.44
CCC(CC)(CNC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300003501784	0	48	0.0	-74.27	367.34	6.68	-67.59
CCC(CC)(CNC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300003501789	0	60	0.0	-59.07	432.53	9.33	-49.74
CCC(CC)(CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003501791	0	57	0.0	-59.45	413.17	8.84	-50.61
CCC(CC)(CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003501795	0	54	0.0	-63.70	399.11	8.61	-55.09
CCC(CC)(CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003501795	1	54	0.0	-59.62	396.32	8.84	-50.78
CCC(CC)(CNC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003501800	1	52	0.0	-53.04	378.07	9.74	-43.30
CCC(CC)(CNC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003501800	1	52	0.0	-50.18	381.39	9.54	-40.64
CCC(CC)(CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003501828	0	55	0.0	-62.20	401.40	10.47	-51.73
CCC(CC)(CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003501828	1	55	0.0	-64.71	407.85	10.40	-54.31
CCC(CC)(CNC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003501840	0	48	0.0	-73.33	363.01	6.84	-66.49
CCC(CC)(CNC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300003501841	0	48	0.0	-60.36	362.69	6.67	-53.69
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(CC)(CC)C(=O)[O-]	REAL300003501846	1	49	0.0	-51.65	364.28	8.53	-43.12
CCC(CC)(CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003501860	0	55	0.0	-63.43	410.58	10.44	-52.99
CCC(CC)(CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003501860	1	55	0.0	-58.65	404.28	10.63	-48.02
CCC(CC)(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300003501861	1	51	0.0	-51.55	377.64	7.68	-43.87
CCC(CC)(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C(=O)[O-]	REAL300003501861	1	51	0.0	-50.11	376.59	7.47	-42.64
CCC(CC)(CNC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300003501865	0	49	0.0	-51.74	353.73	6.04	-45.70
CCC(CC)(CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300003501866	0	56	0.0	-61.44	413.56	7.92	-53.52
CCC(CC)(CNC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300003501912	1	55	0.0	-65.38	397.92	8.94	-56.44
CCC(CC)(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003501913	0	55	0.0	-56.17	387.70	9.04	-47.13
CCC(CC)(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003501913	1	55	0.0	-52.84	383.00	9.20	-43.64
CCC(CC)(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300003501933	0	60	0.0	-63.87	436.97	9.15	-54.72
CCC(CC)(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300003501933	1	60	0.0	-63.08	435.42	9.31	-53.77
CCC(CC)(CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300003501940	0	52	0.0	-53.61	363.83	6.27	-47.34
CCC(CC)(CNC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003501943	0	61	0.0	-68.87	434.11	8.67	-60.20
CCC(CC)(CNC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003501943	1	61	0.0	-51.01	421.04	8.57	-42.44
CCC(CC)(CNC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003501944	0	55	0.0	-62.50	393.77	7.64	-54.86
CCC(CC)(CNC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003501944	1	55	0.0	-56.81	388.70	7.63	-49.18
CCC(CC)(CNC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300003501950	0	57	0.0	-70.21	419.87	8.08	-62.13
CCC(CC)(CNC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300003501951	0	57	0.0	-67.60	418.93	7.90	-59.70
CCC(CC)(CNC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300003501951	1	57	0.0	-71.36	419.26	7.96	-63.40
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC(CC)(CC)C(=O)[O-])C=C1	REAL300003501952	0	58	0.0	-70.84	422.36	9.52	-61.32
CCC(CC)(CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300003502054	0	59	0.0	-74.13	434.42	7.82	-66.31
CCC(CC)(CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300003502058	0	48	0.0	-69.50	361.19	8.66	-60.84
CCC(CC)(CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003502059	0	55	0.0	-59.94	404.17	10.37	-49.57
CCC(CC)(CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003502059	1	55	0.0	-56.48	401.45	10.68	-45.80
CCC(CC)(CNC(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300003502115	0	48	0.0	-53.29	349.15	9.05	-44.24
CC[NH+]1CCN(CCC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300003502117	0	53	0.0	-62.89	377.82	6.00	-56.89
CCN1CC[NH+](CCC(=O)NCC(CC)(CC)C(=O)[O-])CC1	REAL300003502117	1	53	0.0	-55.53	378.99	6.15	-49.38
CCC(CC)(CNC(=O)C(C(C)C)[NH+]1CCCCC1)C(=O)[O-]	REAL300003502120	0	54	0.0	-44.99	364.69	9.41	-35.58
CCC(CC)(CNC(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300003502121	1	48	0.0	-45.57	353.01	8.83	-36.74
CCC(CC)(CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003502125	0	53	0.0	-56.02	396.08	6.60	-49.42
CCC(CC)(CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003502125	1	53	0.0	-54.25	393.21	6.57	-47.68
CCC(CC)(CNC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300003502130	1	49	0.0	-53.79	368.47	8.33	-45.46
CCC(CC)(CNC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300003502131	0	51	0.0	-59.77	383.65	9.17	-50.60
CCC(CC)(CNC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300003502135	0	52	0.0	-49.87	358.99	8.50	-41.37
CCC(CC)(CNC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300003502135	1	52	0.0	-50.65	352.80	8.63	-42.02
CCC(CC)(CNC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300003502159	1	58	0.0	-54.72	408.37	8.19	-46.53
CCC(CC)(CNC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003502186	1	53	0.0	-74.35	391.27	9.26	-65.09
CCC(CC)(CNC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003502186	1	53	0.0	-75.60	395.11	9.27	-66.33
CC[NH+](CC)CC1=CC=C(C(=O)NCC(CC)(CC)C(=O)[O-])O1	REAL300003502239	0	51	0.0	-64.64	383.23	8.36	-56.28
CCC(CC)(CNC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300003502240	1	54	0.0	-60.59	397.06	8.26	-52.33
CCC(CC)(CNC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003502241	1	48	0.0	-55.92	359.70	8.76	-47.16
CCC(CC)(CNC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003502241	1	48	0.0	-55.91	359.69	8.76	-47.15
CCC(CC)(CNC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300003502244	0	60	0.0	-68.94	424.49	9.18	-59.76
CCC(CC)(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003502255	1	43	0.0	-71.09	340.16	6.92	-64.17
CCC(CC)(CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003502289	0	55	0.0	-65.26	408.79	10.24	-55.02
CCC(CC)(CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003502289	1	55	0.0	-63.10	405.08	10.48	-52.62
CCC(CC)(CNC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003502307	0	56	0.0	-71.12	420.81	9.81	-61.31
CCC(CC)(CNC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300003502322	0	49	0.0	-66.53	358.28	7.42	-59.11
CCC(CC)(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300003502326	0	52	0.0	-66.49	389.18	8.86	-57.63
CCC(CC)(CNC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003502357	0	54	0.0	-60.75	397.00	8.39	-52.36
CCC(CC)(CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003502357	1	54	0.0	-58.06	394.50	8.71	-49.35
CCC(CC)(CNC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300003502517	1	49	0.0	-50.70	352.12	4.51	-46.19
CCC(CC)(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003502602	0	56	0.0	-55.69	411.80	10.63	-45.06
CCC(CC)(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003502602	1	56	0.0	-64.36	412.79	10.64	-53.72
CCC(CC)(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300003502634	1	55	0.0	-56.77	396.81	10.17	-46.60
CCC(CC)(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300003502634	1	55	0.0	-50.60	405.98	10.70	-39.90
CCC(CC)(CNC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003502717	0	45	0.0	-53.33	340.55	6.68	-46.65
CCC(CC)(CNC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003502717	1	45	0.0	-65.11	346.41	7.01	-58.10
CCC(CC)(CNC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300003503150	0	51	0.0	-72.09	383.68	9.49	-62.60
CCC(CC)(CNC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003503156	0	52	0.0	-72.04	390.98	8.45	-63.59
CCC(CC)(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003503235	0	58	0.0	-61.80	418.03	11.26	-50.54
CCC(CC)(CNC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003503237	1	56	0.0	-72.97	407.44	9.04	-63.93
CCC(CC)(CNC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003503237	1	56	0.0	-71.48	403.88	8.99	-62.49
CCC(CC)(CNC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300003503321	0	54	0.0	-53.21	377.97	9.08	-44.13
CCC(CC)(CNC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300003503321	1	54	0.0	-53.21	377.97	9.08	-44.13
CCC(CC)(CNC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300003503329	0	54	0.0	-67.53	373.01	8.29	-59.24
CCC(CC)(CNC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300003503329	1	54	0.0	-67.53	373.01	8.29	-59.24
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003504334	0	50	0.0	-65.34	376.57	10.58	-54.76
CC1=NC(C[NH+]2CCC(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])CC2)=CS1	REAL300003505564	1	49	0.0	-64.04	383.97	8.35	-55.69
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300003505609	0	53	0.0	-67.41	410.47	9.88	-57.53
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300003505614	0	53	0.0	-72.51	411.34	12.50	-60.01
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300003505614	1	53	0.0	-73.96	411.20	12.50	-61.46
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003505725	0	43	0.0	-64.32	345.23	7.74	-56.58
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003505743	0	51	0.0	-65.44	360.64	7.49	-57.95
CC[N@H+](CC1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003505761	0	52	0.0	-64.07	380.13	10.06	-54.01
CC[N@@H+](CC1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003505761	1	52	0.0	-71.31	374.12	10.11	-61.20
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003505776	0	47	0.0	-58.27	359.97	9.82	-48.45
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003505776	1	47	0.0	-55.98	361.05	9.83	-46.15
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003505777	0	48	0.0	-64.35	359.31	9.24	-55.11
O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300003505798	0	51	0.0	-54.02	353.10	6.95	-47.07
CC(C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003505801	0	46	0.0	-43.48	349.40	9.24	-34.24
CC(C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003505801	1	46	0.0	-44.00	349.49	9.05	-34.95
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003505807	0	53	0.0	-53.64	392.93	11.60	-42.04
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003505807	1	53	0.0	-47.08	389.99	11.64	-35.44
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003505842	0	47	0.0	-74.30	357.86	9.77	-64.53
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003505846	0	50	0.0	-70.02	376.16	10.75	-59.27
CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])CC2)CC1	REAL300003505852	0	58	0.0	-63.81	406.36	8.08	-55.73
CC1C[NH+](CC2=CC=C(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300003505858	1	54	0.0	-76.09	402.18	9.60	-66.49
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003505868	1	51	0.0	-65.32	390.50	9.70	-55.62
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003505868	1	51	0.0	-64.53	389.75	9.87	-54.66
CC1=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003505882	1	41	0.0	-76.16	329.50	7.21	-68.95
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003505885	0	50	0.0	-74.69	375.18	10.53	-64.16
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003505895	1	43	0.0	-72.07	339.73	7.54	-64.53
C[NH+](C)CCC1=CC=C(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300003505896	0	46	0.0	-71.91	356.86	9.48	-62.43
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003505899	1	48	0.0	-52.12	369.53	9.37	-42.75
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003505899	1	48	0.0	-40.07	363.46	8.95	-31.12
CC(C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003505907	0	56	0.0	-44.61	414.20	11.69	-32.92
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300003505933	0	46	0.0	-47.79	352.61	9.62	-38.17
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300003505933	1	46	0.0	-49.09	355.13	9.69	-39.40
COCCOCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300003505934	0	50	0.0	-57.39	384.33	6.13	-51.26
COCCOCC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300003505934	1	50	0.0	-56.43	384.60	6.02	-50.41
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003505940	0	55	0.0	-61.16	410.57	9.30	-51.86
CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300003505964	0	51	0.0	-63.29	367.77	6.35	-56.94
CC(C)N1CC[NH+](CCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300003505964	1	51	0.0	-52.76	368.12	6.13	-46.63
CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300003505965	0	54	0.0	-60.96	393.12	7.14	-53.82
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C[N@@H+]1CCCC(O)(CC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003510240	0	49	0.0	-62.74	376.06	7.62	-55.12
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C[N@@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C1CCSC1	REAL300003510274	1	46	0.0	-59.29	367.97	9.76	-49.53
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C[C@@H]1[C@H](C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC[N@H+]1C	REAL300003510329	1	45	0.0	-64.73	350.85	9.08	-55.65
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CC[C@@H]1[C@@H](C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC[N@@H+]1C	REAL300003510333	0	48	0.0	-71.79	365.54	9.25	-62.54
CC[C@@H]1[C@@H](C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC[N@H+]1C	REAL300003510333	1	48	0.0	-67.30	369.64	9.79	-57.51
CC1C[N@H+](C)CC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300003510340	1	46	0.0	-81.46	360.44	8.41	-73.05
CC1C[N@@H+](C)CC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300003510340	1	46	0.0	-75.22	359.95	8.01	-67.21
CC(NC(=O)C[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510346	0	42	0.0	-64.15	334.11	8.70	-55.45
CC1=[NH+]C=CN1CC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510348	1	40	0.0	-52.54	338.05	9.25	-43.29
CC(C[NH+]1CCOCC1)C(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510350	1	49	0.0	-61.34	379.92	8.33	-53.01
CC1CC[NH+](CC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300003510369	0	48	0.0	-54.25	371.51	10.02	-44.23
CC[N@@H+]1CCOC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003510380	1	46	0.0	-73.50	356.62	8.14	-65.36
CC[N@H+]1CCOC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003510380	1	46	0.0	-65.56	363.77	8.36	-57.20
CC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510409	0	55	0.0	-67.19	414.09	11.51	-55.68
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C[N@@H+]1CCCC1CCC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510414	0	48	0.0	-64.41	370.27	9.62	-54.79
C[N@H+]1CCCC1CCC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510414	1	48	0.0	-72.48	370.40	9.64	-62.84
CC(NC(=O)C1CCC2CCCC[N@@H+]21)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510425	0	49	0.0	-59.95	376.49	10.56	-49.39
CC(NC(=O)C1CCC2CCCC[N@H+]21)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510425	1	49	0.0	-64.25	369.31	9.95	-54.30
CC[NH+](CC)CC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510444	0	44	0.0	-53.36	340.17	8.63	-44.73
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CC(NC(=O)C12CC[NH+](CC1)C2)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510511	0	43	0.0	-75.35	340.23	8.15	-67.20
CCC(C(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)[NH+](C)C	REAL300003510514	0	44	0.0	-49.07	338.21	8.43	-40.64
CC(NC(=O)C12CC[N@H+](C1)CCC2)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510521	0	46	0.0	-67.00	349.62	8.88	-58.12
CC(NC(=O)C12CC[N@@H+](C1)CCC2)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510521	1	46	0.0	-63.78	350.21	8.84	-54.94
CC1CCC(C)[NH+]1CC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510556	0	48	0.0	-61.09	365.73	9.44	-51.65
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C#CC[NH+]1CCC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300003510599	0	47	0.0	-67.78	377.90	10.41	-57.37
CC[NH+]1CCN(CCC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300003510601	0	53	0.0	-70.38	406.06	8.12	-62.26
CCN1CC[NH+](CCC(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300003510601	1	53	0.0	-60.65	407.22	8.26	-52.39
CC(C)[N@H+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510602	0	44	0.0	-51.36	343.03	8.74	-42.62
CC(C)[N@@H+](C)CC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510602	1	44	0.0	-52.41	343.04	8.73	-43.68
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510606	1	49	0.0	-65.25	394.03	10.77	-54.48
CC[N@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300003510612	0	45	0.0	-51.28	354.12	9.36	-41.92
CC[N@@H+](CC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300003510612	1	45	0.0	-62.14	354.98	9.56	-52.58
CC(C(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1)[NH+]1CCCCCC1	REAL300003510632	0	51	0.0	-60.28	378.25	10.35	-49.93
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CC(C)(C)[NH2+]CC(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510691	0	44	0.0	-52.52	347.56	7.33	-45.19
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CC(NC(=O)CCCC[NH+]1CCCC1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510694	0	51	0.0	-75.48	399.96	10.92	-64.56
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CC(C)[N@H+]1CCCC1C(=O)NC(C)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510747	1	48	0.0	-68.84	352.69	9.94	-58.90
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CCC[N@@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003510884	0	51	0.0	-61.56	392.37	10.63	-50.93
CCC[N@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003510884	1	51	0.0	-60.87	386.10	10.76	-50.11
CC(NC(=O)C[NH+]1CCC(CO)CC1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003510905	1	49	0.0	-54.85	382.34	6.71	-48.14
CC(C)[N@@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003511050	0	51	0.0	-69.18	387.51	10.41	-58.77
CC(C)[N@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003511050	1	51	0.0	-69.09	387.53	10.40	-58.69
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CC(C)C[N@@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003511561	0	54	0.0	-62.42	400.83	11.34	-51.08
CC(C)C[N@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003511561	1	54	0.0	-49.77	400.66	11.36	-38.41
CC[N@@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003511562	0	48	0.0	-68.45	370.81	9.88	-58.57
CC[N@H+]1CCCC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003511562	1	48	0.0	-61.23	370.85	9.89	-51.34
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CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)(C(=O)[O-])C1=CC=CC([N+](=O)[O-])=C1	REAL300003511577	1	47	0.0	-59.67	363.74	10.80	-48.87
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=CC=C2OCC2=CC=CC=C2)C1	REAL300003511644	0	57	0.0	-50.16	448.28	11.53	-38.63
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=CC=C2OCC2=CC=CC=C2)C1	REAL300003511644	1	57	0.0	-49.47	442.07	11.51	-37.96
C[C@H](NC(=O)[C@H](C)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003512994	0	53	0.0	-68.81	414.01	7.45	-61.36
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003513738	1	50	0.0	-58.20	395.65	6.78	-51.42
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003513738	1	50	0.0	-60.17	395.45	6.83	-53.34
C[C@H](NC(=O)[C@H](C)NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300003514668	0	47	0.0	-63.02	362.53	5.07	-57.95
CC1=[NH+]C=C2CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CN21	REAL300003514703	1	45	0.0	-57.16	360.58	4.97	-52.19
C[C@H](NC(=O)[C@H](C)NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300003514704	0	53	0.0	-59.55	417.44	7.42	-52.13
CC1=NC(C[NH+]2CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC2)=CS1	REAL300003514778	1	52	0.0	-66.39	421.24	5.46	-60.93
CC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])N1CC[NH+](C)CC1	REAL300003514779	1	48	0.0	-64.93	366.70	2.02	-62.91
C[C@H](NC(=O)[C@H](C)NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003514865	0	56	0.0	-68.42	447.19	6.96	-61.46
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003514877	0	56	0.0	-71.68	447.99	9.30	-62.38
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003514877	1	56	0.0	-71.71	447.94	9.30	-62.41
C[C@H](NC(=O)[C@H](C)NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003514879	0	56	0.0	-60.66	426.92	7.86	-52.80
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)[O-]	REAL300003514938	0	38	0.0	-64.56	323.29	5.73	-58.83
C[C@H](NC(=O)[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300003514968	0	52	0.0	-63.73	370.18	5.61	-58.12
C[C@H](NC(=O)[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300003514972	0	52	0.0	-64.24	391.85	5.77	-58.47
C[C@H](NC(=O)[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300003514972	1	52	0.0	-63.97	391.54	5.81	-58.16
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300003515054	0	46	0.0	-67.25	382.19	4.87	-62.38
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300003515081	0	53	0.0	-54.93	389.91	6.01	-48.92
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300003515081	1	53	0.0	-55.34	390.69	6.04	-49.30
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300003515082	0	54	0.0	-59.50	398.15	4.36	-55.14
CC1=[NH+]C=CN1CCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003515114	1	44	0.0	-61.45	364.41	5.09	-56.36
C[C@H](NC(=O)[C@H](C)NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300003515115	1	50	0.0	-67.92	391.39	3.80	-64.12
CC[N@H+](CC1=CC=C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C=C1)C(C)C	REAL300003515117	0	55	0.0	-66.78	416.09	7.16	-59.62
CC[N@@H+](CC1=CC=C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C=C1)C(C)C	REAL300003515117	1	55	0.0	-67.19	410.62	6.89	-60.30
C[C@H](NC(=O)[C@H](C)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003515141	0	50	0.0	-64.26	396.28	6.59	-57.67
C[C@H](NC(=O)[C@H](C)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003515141	1	50	0.0	-64.61	398.09	6.67	-57.94
C[C@H](NC(=O)[C@H](C)NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300003515142	0	51	0.0	-69.98	392.73	5.86	-64.12
C[C@H](NC(=O)[C@H](C)NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300003515170	1	55	0.0	-65.19	429.99	5.34	-59.85
C[C@H](NC(=O)[C@H](C)NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300003515171	0	54	0.0	-63.66	389.86	4.06	-59.60
CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[NH+](CC)CC	REAL300003515175	0	48	0.0	-55.97	356.06	4.22	-51.75
CC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003515177	1	49	0.0	-59.89	388.07	6.21	-53.68
CC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003515177	1	49	0.0	-61.14	388.33	6.19	-54.95
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003515188	0	56	0.0	-60.88	430.51	8.47	-52.41
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003515188	1	56	0.0	-60.58	430.49	8.48	-52.10
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300003515216	0	45	0.0	-68.78	366.89	4.25	-64.53
CCC[NH+](CCC)CCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003515227	0	54	0.0	-64.63	416.00	6.39	-58.24
CC[N@H+](C)C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300003515229	1	49	0.0	-56.10	385.64	6.37	-49.73
CC[N@@H+](C)C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300003515229	1	49	0.0	-56.85	386.73	6.29	-50.56
CC[NH+](CC)C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1=CC=CC=C1	REAL300003515234	0	52	0.0	-57.43	393.17	6.45	-50.98
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003515241	1	44	0.0	-56.81	358.78	4.95	-51.86
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300003515258	0	50	0.0	-70.42	396.40	6.82	-63.60
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300003515265	0	53	0.0	-67.42	413.16	7.52	-59.90
CCN1CCC([NH+]2CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC2)CC1	REAL300003515271	0	61	0.0	-65.46	446.73	5.04	-60.42
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300003515279	1	57	0.0	-72.94	445.94	6.61	-66.33
C[C@H](NC(=O)[C@H](C)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003515290	1	54	0.0	-72.09	420.51	6.71	-65.38
C[C@H](NC(=O)[C@H](C)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003515290	1	54	0.0	-70.75	427.46	6.74	-64.01
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003515306	1	53	0.0	-58.98	402.37	7.20	-51.78
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003515306	1	53	0.0	-57.80	411.75	7.36	-50.44
CC1=C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003515308	1	44	0.0	-72.90	369.19	4.06	-68.84
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300003515316	0	53	0.0	-70.34	412.83	7.57	-62.77
C[C@H](NC(=O)[C@H](C)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300003515328	1	46	0.0	-71.87	376.53	4.31	-67.56
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003515329	0	49	0.0	-72.47	393.60	6.58	-65.89
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003515340	1	42	0.0	-54.74	342.42	3.29	-51.45
C[C@H](NC(=O)[C@H](C)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003515341	1	51	0.0	-65.44	400.09	6.07	-59.37
C[C@H](NC(=O)[C@H](C)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003515341	1	51	0.0	-63.01	400.19	6.08	-56.93
CC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003515355	0	59	0.0	-59.25	451.20	8.70	-50.55
C[C@H](NC(=O)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300003515403	0	48	0.0	-60.47	362.90	4.77	-55.70
C[C@H](NC(=O)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300003515403	1	48	0.0	-60.64	360.96	4.63	-56.01
C[C@H](NC(=O)[C@H](C)NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003515405	1	49	0.0	-64.75	392.09	6.67	-58.08
C[C@H](NC(=O)[C@H](C)NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003515405	1	49	0.0	-64.93	392.26	6.66	-58.27
COCCOCC[N@H+](C)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003515406	0	53	0.0	-64.45	421.29	2.83	-61.62
COCCOCC[N@@H+](C)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003515406	1	53	0.0	-65.35	421.62	2.80	-62.55
C[C@H](NC(=O)[C@H](C)NC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300003515410	0	47	0.0	-59.38	363.75	2.53	-56.85
C[C@H](NC(=O)[C@H](C)NC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300003515410	1	47	0.0	-59.40	353.58	2.38	-57.02
C[C@H](NC(=O)[C@H](C)NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003515420	0	58	0.0	-69.84	447.73	6.32	-63.52
CCCCCC[N@H+](C)CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003515424	0	51	0.0	-62.14	396.85	5.98	-56.16
CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003515424	1	51	0.0	-62.06	396.85	5.98	-56.08
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300003515437	1	38	0.0	-68.10	323.87	5.69	-62.41
C[C@H](NC(=O)[C@H](C)NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300003515455	0	44	0.0	-66.19	352.46	4.44	-61.75
C[C@H](NC(=O)[C@H](C)NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300003515455	1	44	0.0	-65.56	352.48	4.47	-61.09
CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300003515471	0	54	0.0	-63.24	408.79	3.35	-59.89
CC(C)N1CC[NH+](CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300003515471	1	54	0.0	-63.88	404.98	3.18	-60.70
CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300003515472	0	57	0.0	-62.80	429.97	4.19	-58.61
CC(C)N1CC[NH+](CCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300003515472	1	57	0.0	-64.98	426.47	3.99	-60.99
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300003515473	0	47	0.0	-54.07	357.70	5.06	-49.01
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300003515473	1	47	0.0	-54.24	357.64	5.07	-49.17
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300003515475	0	46	0.0	-72.29	377.43	3.70	-68.59
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC2)=C1	REAL300003515482	0	58	0.0	-68.73	447.65	6.18	-62.55
C[C@H](NC(=O)[C@H](C)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003515484	0	55	0.0	-68.69	426.24	5.51	-63.18
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003515487	0	52	0.0	-66.16	402.94	5.85	-60.31
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003515487	1	52	0.0	-64.00	402.68	5.76	-58.24
C[C@H](NC(=O)[C@H](C)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003515520	0	53	0.0	-68.11	418.14	7.45	-60.66
C[C@H](NC(=O)[C@H](C)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003515520	1	53	0.0	-67.87	417.52	7.42	-60.45
C[C@H](NC(=O)[C@H](C)NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003515535	0	46	0.0	-73.52	377.81	3.72	-69.80
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300003515536	0	46	0.0	-61.07	373.38	3.63	-57.44
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003515542	1	47	0.0	-57.61	378.92	5.44	-52.17
C[C@H](NC(=O)[C@H](C)NC(=O)C1C[N@H+](C)CC(C)O1)C(=O)[O-]	REAL300003515553	1	44	0.0	-70.02	344.46	2.97	-67.05
C[C@H](NC(=O)[C@H](C)NC(=O)C1C[N@@H+](C)CC(C)O1)C(=O)[O-]	REAL300003515553	1	44	0.0	-68.78	344.46	2.97	-65.81
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003515559	0	53	0.0	-66.28	414.42	7.68	-58.60
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003515559	1	53	0.0	-66.82	420.48	7.48	-59.34
CC(C[NH+]1CCOCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003515565	0	47	0.0	-64.63	364.75	2.90	-61.73
C[C@H](NC(=O)[C@H](C)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300003515566	0	54	0.0	-67.75	423.51	4.98	-62.77
CC[N@@H+]1CCOC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1	REAL300003515588	1	44	0.0	-65.96	348.30	3.31	-62.65
CC[N@H+]1CCOC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1	REAL300003515588	1	44	0.0	-67.09	348.28	3.30	-63.79
C[C@H](NC(=O)[C@H](C)NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300003515622	1	53	0.0	-71.44	414.95	5.77	-65.67
C[C@H](NC(=O)[C@H](C)NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003515623	0	53	0.0	-62.17	398.93	6.18	-55.99
C[C@H](NC(=O)[C@H](C)NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003515623	1	53	0.0	-61.44	398.55	6.15	-55.29
C[C@H](NC(=O)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2)C(=O)[O-]	REAL300003515642	0	47	0.0	-65.22	350.83	4.38	-60.84
C[C@H](NC(=O)[C@H](C)NC(=O)C1(C)CC(O)C[N@@H+]1C)C(=O)[O-]	REAL300003515646	1	44	0.0	-61.60	341.28	0.28	-61.32
C[C@H](NC(=O)[C@H](C)NC(=O)C1(C)CC(O)C[N@H+]1C)C(=O)[O-]	REAL300003515646	1	44	0.0	-63.71	337.51	0.86	-62.85
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300003515647	0	47	0.0	-55.05	360.84	5.18	-49.87
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300003515647	1	47	0.0	-56.33	353.67	4.71	-51.62
C[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300003515655	0	50	0.0	-60.95	374.25	3.26	-57.69
CC(C)[N@@H+]1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003515660	0	59	0.0	-66.57	443.02	5.95	-60.62
CC(C)[N@H+]1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003515660	1	59	0.0	-69.26	444.28	5.70	-63.56
C[C@H](NC(=O)[C@H](C)NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003515661	0	53	0.0	-70.05	398.99	4.29	-65.76
C[C@H](NC(=O)[C@H](C)NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003515661	1	53	0.0	-73.34	409.54	4.59	-68.75
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300003515666	0	55	0.0	-65.93	429.79	5.15	-60.78
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300003515667	0	55	0.0	-69.23	430.20	5.10	-64.13
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300003515667	1	55	0.0	-71.10	429.37	5.01	-66.09
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300003515668	0	56	0.0	-68.36	436.28	6.84	-61.52
CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300003515675	0	49	0.0	-62.98	368.34	4.82	-58.16
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300003515799	0	57	0.0	-72.70	444.34	4.89	-67.81
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300003515803	0	46	0.0	-68.15	371.11	5.73	-62.42
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003515804	0	53	0.0	-61.04	408.00	7.61	-53.43
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003515804	1	53	0.0	-61.09	407.80	7.63	-53.46
C#CC[NH+]1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300003515871	0	45	0.0	-67.00	362.36	5.02	-61.98
CCC[N@@H+]1CCCCC1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003515873	0	49	0.0	-56.89	374.24	5.22	-51.67
CCC[N@H+]1CCCCC1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003515873	1	49	0.0	-58.59	364.80	5.05	-53.54
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300003515875	0	46	0.0	-55.68	363.89	5.93	-49.75
CC[NH+]1CCN(CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300003515877	0	51	0.0	-64.95	390.41	2.73	-62.22
CCN1CC[NH+](CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1	REAL300003515877	1	51	0.0	-63.98	391.73	2.87	-61.11
CC(C)C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[NH+]1CCCCC1	REAL300003515879	0	52	0.0	-56.37	384.40	6.16	-50.21
C[C@H](NC(=O)[C@H](C)NC(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300003515880	1	46	0.0	-57.91	367.84	5.71	-52.20
C[C@H](NC(=O)[C@H](C)NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003515884	0	51	0.0	-61.92	406.95	3.69	-58.23
C[C@H](NC(=O)[C@H](C)NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003515884	1	51	0.0	-61.96	406.16	3.64	-58.32
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003515890	1	47	0.0	-57.41	378.53	5.36	-52.05
C[C@H](NC(=O)[C@H](C)NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300003515891	0	49	0.0	-61.93	398.44	6.05	-55.88
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300003515897	0	50	0.0	-57.42	376.09	5.76	-51.66
C[C@H](NC(=O)[C@H](C)NC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300003515897	1	50	0.0	-58.58	371.28	5.60	-52.98
CC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[NH+]1CCCCCC1	REAL300003515926	0	49	0.0	-57.54	362.46	4.63	-52.91
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003515961	1	51	0.0	-72.71	406.29	6.11	-66.60
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003515961	1	51	0.0	-72.78	406.27	6.12	-66.66
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])O1	REAL300003516019	0	49	0.0	-66.64	388.95	5.11	-61.53
C[C@H](NC(=O)[C@H](C)NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300003516020	0	49	0.0	-64.55	384.28	5.55	-59.00
CC1=CC=C(N2CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC2)[NH+]=C1	REAL300003516022	1	52	0.0	-61.26	406.99	5.30	-55.96
C[C@H](NC(=O)[C@H](C)NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003516023	1	46	0.0	-65.06	370.15	5.78	-59.28
C[C@H](NC(=O)[C@H](C)NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003516023	1	46	0.0	-64.63	369.78	5.81	-58.82
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C=C2)CC1	REAL300003516027	0	58	0.0	-69.78	439.29	6.08	-63.70
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003516042	1	41	0.0	-71.54	352.42	3.65	-67.89
C[C@H](NC(=O)[C@H](C)NC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300003516072	1	42	0.0	-73.33	351.21	3.19	-70.14
C[C@H](NC(=O)[C@H](C)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003516077	0	53	0.0	-65.86	414.25	7.21	-58.65
C[C@H](NC(=O)[C@H](C)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003516077	1	53	0.0	-66.03	415.17	7.30	-58.73
C[C@H](NC(=O)[C@H](C)NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003516101	0	54	0.0	-70.40	435.45	6.69	-63.71
C[C@H](NC(=O)[C@H](C)NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300003516118	0	47	0.0	-69.08	372.91	4.32	-64.76
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300003516124	0	50	0.0	-67.30	399.27	5.90	-61.40
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003516166	0	52	0.0	-64.38	406.94	5.45	-58.93
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003516166	1	52	0.0	-61.23	405.92	5.49	-55.74
CCC[N@@H+]1CCCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1	REAL300003516312	0	49	0.0	-62.05	376.86	5.23	-56.82
CCC[N@H+]1CCCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1	REAL300003516312	1	49	0.0	-62.31	376.68	5.25	-57.06
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003516346	0	49	0.0	-57.62	372.06	4.86	-52.76
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	REAL300003516346	1	49	0.0	-58.93	366.19	4.54	-54.39
C[C@H](NC(=O)[C@H](C)NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300003516347	1	47	0.0	-63.41	366.36	1.41	-62.00
C[C@H](NC(=O)[C@H](C)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003516445	0	54	0.0	-65.57	422.03	7.71	-57.86
C[C@H](NC(=O)[C@H](C)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003516445	1	54	0.0	-66.45	423.27	7.66	-58.79
CC(C)[N@@H+]1CCCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1	REAL300003516570	0	49	0.0	-60.21	371.83	5.02	-55.19
CC(C)[N@H+]1CCCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1	REAL300003516570	1	49	0.0	-60.49	371.85	5.01	-55.48
C[C@H](NC(=O)[C@H](C)NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003516571	0	43	0.0	-70.83	349.79	3.93	-66.90
C[C@H](NC(=O)[C@H](C)NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003516571	1	43	0.0	-67.80	356.90	3.98	-63.82
CC1=C(C)[NH+]=C(CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])N1	REAL300003516597	1	44	0.0	-58.56	363.67	3.46	-55.10
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300003517080	0	49	0.0	-69.57	393.61	6.55	-63.02
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003517087	0	50	0.0	-69.86	401.07	5.50	-64.36
C[C@H](NC(=O)[C@H](C)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003517179	0	56	0.0	-66.82	433.13	8.12	-58.70
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003517181	1	54	0.0	-72.55	418.62	5.88	-66.67
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003517181	1	54	0.0	-72.60	418.42	5.89	-66.71
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)[O-]	REAL300003517226	0	49	0.0	-60.95	365.25	4.92	-56.03
CC(C)C[N@@H+]1CCCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1	REAL300003517294	0	52	0.0	-57.81	388.03	6.12	-51.69
CC(C)C[N@H+]1CCCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C1	REAL300003517294	1	52	0.0	-57.81	388.03	6.12	-51.69
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(CN(C)C)O1)C(=O)[O-]	REAL300003517300	0	43	0.0	-68.81	357.97	3.99	-64.82
C[C@H](NC(=O)[C@H](C)NC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)[O-]	REAL300003517300	1	43	0.0	-68.81	357.97	3.99	-64.82
C[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300003517306	0	52	0.0	-66.61	382.97	5.36	-61.25
C[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300003517306	1	52	0.0	-66.61	382.97	5.36	-61.25
C[C@H](NC(=O)[C@H](C)NC(=O)C12CC(C1)CN2C1CC1)C(=O)[O-]	REAL300003517309	0	45	0.0	-56.63	347.17	4.77	-51.86
C[C@H](NC(=O)[C@H](C)NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300003517309	1	45	0.0	-57.41	351.12	5.51	-51.90
C[C@H](NC(=O)[C@H](C)NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300003517309	1	45	0.0	-57.41	351.12	5.51	-51.90
CC(C)(C)OC1CCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003517390	0	56	0.0	-49.73	404.51	8.13	-41.60
CC1CC(CC(F)(F)F)C(C)N1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003517504	0	49	0.0	-47.64	367.74	9.58	-38.06
CC1CC(CC(F)(F)F)C(C)N1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003517504	1	49	0.0	-47.64	367.74	9.58	-38.06
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300003518734	0	54	0.0	-85.15	420.65	12.88	-72.27
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=C1	REAL300003519418	0	51	0.0	-74.55	397.41	11.79	-62.76
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=C1	REAL300003519418	1	51	0.0	-75.60	403.41	12.32	-63.28
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C=C1	REAL300003520339	0	48	0.0	-80.11	373.68	10.73	-69.38
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CC2)C=C1	REAL300003520368	0	45	0.0	-71.83	357.02	10.19	-61.64
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@H+]2C2CC2)C=C1	REAL300003520368	1	45	0.0	-70.99	355.17	10.11	-60.88
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)CN21	REAL300003520374	1	46	0.0	-71.95	367.64	10.39	-61.56
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=C1	REAL300003520375	0	54	0.0	-74.43	424.06	12.86	-61.57
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)CC2)=CS1	REAL300003520454	1	53	0.0	-84.09	427.65	10.58	-73.51
C[N@@H+]1CCCCC1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003520455	1	44	0.0	-73.22	341.41	9.27	-63.95
C[N@H+]1CCCCC1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003520455	1	44	0.0	-74.61	341.67	9.26	-65.35
CC(C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)N1CC[NH+](C)CC1	REAL300003520456	1	49	0.0	-75.55	370.69	7.48	-68.07
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003520499	1	44	0.0	-73.76	342.25	9.29	-64.47
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003520499	1	44	0.0	-75.35	332.22	9.07	-66.28
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300003520544	0	57	0.0	-79.80	453.80	12.41	-67.39
CC1(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003520556	0	57	0.0	-76.01	433.01	13.24	-62.77
C[NH+]1CCC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003520590	0	44	0.0	-82.71	344.14	9.31	-73.40
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C=C1	REAL300003520615	0	39	0.0	-78.54	329.67	11.17	-67.37
C[NH+](C)CC1(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CCCCC1	REAL300003520649	0	53	0.0	-78.51	386.83	10.86	-67.65
C[N@H+](CCC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)C1CCCCC1	REAL300003520654	0	53	0.0	-80.60	397.92	11.27	-69.33
C[N@@H+](CCC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)C1CCCCC1	REAL300003520654	1	53	0.0	-80.75	397.92	11.27	-69.48
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C=C1	REAL300003520672	1	54	0.0	-80.10	415.24	12.70	-67.40
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C=C1	REAL300003520672	1	54	0.0	-80.15	415.39	12.71	-67.44
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C=C1	REAL300003520673	1	51	0.0	-78.93	403.70	11.85	-67.08
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C=C1	REAL300003520673	1	51	0.0	-80.93	409.96	12.38	-68.55
C[NH+]1CCC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003520724	0	44	0.0	-82.71	344.14	9.31	-73.40
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=C1	REAL300003520729	0	47	0.0	-80.85	388.98	10.30	-70.55
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=C1	REAL300003520753	0	54	0.0	-73.56	393.96	11.56	-62.00
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=C1	REAL300003520753	1	54	0.0	-71.24	396.72	11.44	-59.80
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C=C1	REAL300003520754	0	55	0.0	-83.90	411.30	9.93	-73.97
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003520787	1	45	0.0	-74.10	370.77	10.57	-63.53
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C=C1	REAL300003520788	1	51	0.0	-81.77	398.05	9.25	-72.52
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1)C(C)C	REAL300003520791	0	56	0.0	-83.88	420.64	12.57	-71.31
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1)C(C)C	REAL300003520791	1	56	0.0	-81.49	417.63	12.34	-69.15
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300003520833	0	51	0.0	-79.68	403.67	12.05	-67.63
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300003520833	1	51	0.0	-79.71	404.58	12.17	-67.54
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C=C1	REAL300003520834	0	52	0.0	-88.04	403.34	11.54	-76.50
C[NH+]1CCN(C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C2=CC=CC=C2)CC1	REAL300003520861	1	56	0.0	-75.70	432.61	10.97	-64.73
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C=C1	REAL300003520862	0	55	0.0	-79.38	396.56	9.59	-69.79
CCC(C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)[NH+](CC)CC	REAL300003520866	0	49	0.0	-71.10	363.82	10.04	-61.06
CC(C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300003520868	0	50	0.0	-78.23	394.29	11.66	-66.57
CC(C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003520868	1	50	0.0	-77.50	394.19	11.66	-65.84
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C=C1	REAL300003520880	0	57	0.0	-74.39	437.11	13.94	-60.45
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C=C1	REAL300003520880	1	57	0.0	-82.76	442.94	13.71	-69.05
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300003520903	0	46	0.0	-83.09	373.74	9.28	-73.81
CCC[NH+](CCC)CCCC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003520912	0	55	0.0	-79.07	417.71	11.60	-67.47
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C=C1	REAL300003520913	1	55	0.0	-76.57	428.22	9.60	-66.97
CC[N@H+](C)C(C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300003520914	1	50	0.0	-75.00	386.77	11.60	-63.40
CC[N@@H+](C)C(C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300003520914	1	50	0.0	-76.90	387.89	11.59	-65.31
C[N@@H+]1CCOC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003520916	1	42	0.0	-79.96	329.77	7.86	-72.10
C[N@H+]1CCOC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003520916	1	42	0.0	-87.42	336.81	8.04	-79.38
CC[NH+](CC)C(C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300003520919	0	53	0.0	-77.15	397.93	11.86	-65.29
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003520927	1	45	0.0	-73.14	365.32	10.41	-62.73
C[NH+](C)C(C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)C1=CC=C(Cl)C=C1	REAL300003520932	1	47	0.0	-78.62	390.90	11.68	-66.94
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=C1	REAL300003520945	0	51	0.0	-84.40	402.75	12.29	-72.11
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=C1	REAL300003520953	0	54	0.0	-78.57	419.51	12.99	-65.58
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)CC2)CC1	REAL300003520959	0	62	0.0	-83.01	454.41	10.60	-72.41
C[NH+](C)CC1(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003520961	0	44	0.0	-73.63	351.15	9.53	-64.10
C[NH+](C)CCCCC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003520971	0	46	0.0	-80.13	364.88	9.80	-70.33
CC(C)C(C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)[NH+](C)C	REAL300003520979	0	46	0.0	-76.74	349.46	9.77	-66.97
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300003520981	1	55	0.0	-86.33	433.79	12.13	-74.20
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300003520981	1	55	0.0	-89.40	427.08	12.08	-77.32
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C=C1	REAL300003520993	0	54	0.0	-75.56	408.82	12.63	-62.93
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C=C1	REAL300003520993	1	54	0.0	-74.56	418.23	12.81	-61.75
CC1=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=NN1C1=CC=[NH+]C=C1	REAL300003520995	1	45	0.0	-83.35	373.71	9.54	-73.81
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1	REAL300003521003	0	54	0.0	-84.68	419.50	13.00	-71.68
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C=C1	REAL300003521017	1	47	0.0	-81.76	384.37	9.83	-71.93
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300003521018	0	50	0.0	-86.18	400.43	11.99	-74.19
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300003521031	1	52	0.0	-86.38	407.59	11.44	-74.94
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C=C1	REAL300003521031	1	52	0.0	-88.74	413.38	11.61	-77.13
C[N@H+](CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)C1CCC1	REAL300003521061	0	44	0.0	-76.01	346.01	9.64	-66.37
C[N@@H+](CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)C1CCC1	REAL300003521061	1	44	0.0	-75.63	345.64	9.65	-65.98
C[N@H+](CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)CC(C)(C)C	REAL300003521093	0	49	0.0	-78.39	367.09	10.07	-68.32
C[N@@H+](CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)CC(C)(C)C	REAL300003521093	1	49	0.0	-77.28	369.52	10.23	-67.05
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521095	0	50	0.0	-81.61	398.65	12.11	-69.50
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521095	1	50	0.0	-82.11	398.92	12.09	-70.02
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521096	0	54	0.0	-80.04	427.58	8.30	-71.74
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521096	1	54	0.0	-81.43	427.70	8.29	-73.14
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003521100	0	48	0.0	-73.39	360.28	7.70	-65.69
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003521100	1	48	0.0	-73.29	370.09	7.93	-65.36
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C=C1	REAL300003521118	1	53	0.0	-80.35	403.84	10.89	-69.46
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C=C1	REAL300003521118	1	53	0.0	-79.39	413.23	11.08	-68.31
CCCCCC[N@H+](C)CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521121	0	52	0.0	-79.58	403.51	11.41	-68.17
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521121	1	52	0.0	-78.92	403.24	11.43	-67.49
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C23CCC[NH+]2CCC3)C=C1	REAL300003521131	0	45	0.0	-75.95	344.56	9.64	-66.31
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C=C1	REAL300003521139	1	39	0.0	-83.26	330.23	11.18	-72.08
C[N@H+](CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)C1CCSC1	REAL300003521155	1	45	0.0	-83.95	359.28	9.89	-74.06
C[N@@H+](CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)C1CCSC1	REAL300003521155	1	45	0.0	-82.41	358.80	9.92	-72.49
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003521171	0	55	0.0	-77.41	415.14	8.84	-68.57
CC(C)N1CC[NH+](CCC(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003521171	1	55	0.0	-80.51	411.36	8.64	-71.87
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003521172	0	58	0.0	-75.33	436.36	9.65	-65.68
CC(C)N1CC[NH+](CCCC(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003521172	1	58	0.0	-79.97	436.18	9.69	-70.28
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C=C1	REAL300003521173	0	48	0.0	-70.77	364.57	10.47	-60.30
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C=C1	REAL300003521173	1	48	0.0	-72.79	356.42	10.21	-62.58
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300003521175	0	47	0.0	-83.93	384.11	9.16	-74.77
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C=C1	REAL300003521184	0	56	0.0	-85.00	432.31	11.01	-73.99
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C=C1	REAL300003521187	0	53	0.0	-77.86	409.34	11.18	-66.68
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C=C1	REAL300003521187	1	53	0.0	-82.04	415.27	10.99	-71.05
CC(C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003521192	1	51	0.0	-77.53	398.06	12.03	-65.50
CC(C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003521192	1	51	0.0	-77.83	394.55	12.20	-65.63
CCCC(C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)[NH+](C)C	REAL300003521214	0	46	0.0	-77.41	354.36	9.62	-67.79
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300003521216	0	54	0.0	-83.05	422.91	12.84	-70.21
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300003521216	1	54	0.0	-83.61	425.93	12.87	-70.74
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=N1	REAL300003521231	0	47	0.0	-89.83	384.19	9.20	-80.63
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521232	0	47	0.0	-71.44	379.71	9.14	-62.30
C[C@@H]1[C@H](C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC[N@@H+]1C	REAL300003521238	0	44	0.0	-79.97	337.78	8.83	-71.14
C[C@@H]1[C@H](C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC[N@H+]1C	REAL300003521238	1	44	0.0	-80.38	342.39	8.97	-71.41
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521240	1	48	0.0	-72.69	385.47	10.89	-61.80
CC[C@@H]1[C@@H](C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC[N@@H+]1C	REAL300003521243	0	47	0.0	-78.61	357.55	9.35	-69.26
CC[C@@H]1[C@@H](C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC[N@H+]1C	REAL300003521243	1	47	0.0	-76.61	360.76	9.87	-66.74
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=NN1	REAL300003521246	1	48	0.0	-80.47	379.06	8.20	-72.27
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=NN1	REAL300003521246	1	48	0.0	-81.42	378.18	8.19	-73.23
CC1C[N@H+](C)CC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)O1	REAL300003521255	1	45	0.0	-91.05	350.77	8.34	-82.71
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)O1	REAL300003521255	1	45	0.0	-89.12	351.32	8.75	-80.37
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C=C1	REAL300003521261	0	54	0.0	-80.88	420.78	13.09	-67.79
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C=C1	REAL300003521261	1	54	0.0	-82.21	426.81	12.92	-69.29
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C=C1	REAL300003521262	1	50	0.0	-72.19	400.57	10.73	-61.46
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C=C1	REAL300003521262	1	50	0.0	-78.43	398.03	10.44	-67.99
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521267	0	48	0.0	-79.93	371.36	8.38	-71.55
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C=C1	REAL300003521268	0	55	0.0	-85.01	430.04	10.42	-74.59
CC1CC[NH+](CC(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003521280	0	47	0.0	-78.16	362.11	10.16	-68.00
CC[N@@H+]1CCOC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003521295	1	45	0.0	-80.22	348.67	8.52	-71.70
CC[N@H+]1CCOC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003521295	1	45	0.0	-81.38	348.30	8.50	-72.88
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003521334	1	54	0.0	-85.73	421.82	11.33	-74.40
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C=C1	REAL300003521335	0	54	0.0	-77.58	405.29	11.59	-65.99
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C=C1	REAL300003521335	1	54	0.0	-77.31	404.36	11.53	-65.78
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521342	0	47	0.0	-77.17	361.34	9.66	-67.51
C[N@H+]1CCCC1CCC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521342	1	47	0.0	-81.58	363.37	10.02	-71.56
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C23CCC[NH+](CCC2)C3)C=C1	REAL300003521354	0	48	0.0	-78.02	357.01	9.86	-68.16
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521358	1	45	0.0	-79.93	346.57	5.81	-74.12
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521358	1	45	0.0	-80.12	347.67	5.72	-74.40
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C=C1	REAL300003521359	0	48	0.0	-72.47	366.68	10.57	-61.90
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C=C1	REAL300003521359	1	48	0.0	-74.68	360.53	10.14	-64.54
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521367	0	51	0.0	-75.00	379.61	8.69	-66.31
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300003521372	0	54	0.0	-89.60	423.33	10.49	-79.11
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=N1	REAL300003521372	1	54	0.0	-87.69	414.23	10.23	-77.46
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=C2)CC1	REAL300003521376	0	56	0.0	-77.43	436.57	10.56	-66.87
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=C2)CC1	REAL300003521377	0	56	0.0	-82.26	436.55	10.57	-71.69
CN1CC[NH+](CC2=CC=C(C(=O)NC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=C2)CC1	REAL300003521377	1	56	0.0	-86.75	435.74	10.46	-76.29
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300003521379	0	57	0.0	-83.05	442.94	12.29	-70.76
CC(C)[NH+]1CCC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003521387	0	50	0.0	-79.82	374.79	10.27	-69.55
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C23CC[NH+](CC2)C3)C=C1	REAL300003521467	0	42	0.0	-80.41	330.88	8.17	-72.24
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C23CC[N@H+](C2)CCC3)C=C1	REAL300003521476	0	45	0.0	-79.13	342.46	8.88	-70.25
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C23CC[N@@H+](C2)CCC3)C=C1	REAL300003521476	1	45	0.0	-77.87	341.89	8.89	-68.98
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521528	0	47	0.0	-76.85	347.19	9.27	-67.58
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300003521529	0	47	0.0	-79.54	377.90	11.13	-68.41
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300003521530	0	54	0.0	-75.20	414.42	13.02	-62.18
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300003521530	1	54	0.0	-78.23	420.39	12.85	-65.38
C[NH+](C)C1(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CCC1	REAL300003521568	0	44	0.0	-80.44	335.82	8.99	-71.45
C#CC[NH+]1CCC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003521602	0	46	0.0	-83.26	369.32	10.52	-72.74
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521604	0	50	0.0	-74.33	371.60	10.48	-63.85
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521604	1	50	0.0	-74.04	380.86	10.65	-63.39
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521605	0	47	0.0	-66.30	370.59	11.44	-54.86
CC[NH+]1CCN(CCC(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003521607	0	52	0.0	-78.93	397.89	8.28	-70.65
CCN1CC[NH+](CCC(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003521607	1	52	0.0	-80.44	398.12	8.32	-72.12
CC(C)C(C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)[NH+]1CCCCC1	REAL300003521609	0	53	0.0	-73.49	391.49	11.44	-62.05
C[NH+](C)C(C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)C1=CC=CC=C1	REAL300003521610	1	47	0.0	-75.76	374.51	11.15	-64.61
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C=C1	REAL300003521614	0	52	0.0	-76.51	413.67	9.10	-67.41
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C=C1	REAL300003521614	1	52	0.0	-77.19	412.64	9.10	-68.09
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521620	1	48	0.0	-72.49	384.96	10.83	-61.66
C[NH+](C)CC1=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)OC2=CC=CC=C21	REAL300003521621	0	50	0.0	-70.52	405.12	11.51	-59.01
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1	REAL300003521626	0	51	0.0	-74.57	382.26	11.18	-63.39
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1	REAL300003521626	1	51	0.0	-77.89	378.62	10.99	-66.90
CC[N@H+](CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)C1CC1	REAL300003521628	0	44	0.0	-74.84	348.70	9.71	-65.13
CC[N@@H+](CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)C1CC1	REAL300003521628	1	44	0.0	-74.72	345.63	9.70	-65.02
CC(C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)[NH+]1CCCCCC1	REAL300003521658	0	50	0.0	-72.87	368.58	10.13	-62.74
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=CC=C1N2	REAL300003521696	1	52	0.0	-83.39	413.74	11.57	-71.82
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)=CC=C1N2	REAL300003521696	1	52	0.0	-83.25	413.72	11.56	-71.69
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)O1	REAL300003521749	0	50	0.0	-79.53	398.82	10.85	-68.68
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C=C1	REAL300003521750	0	50	0.0	-79.12	389.25	10.88	-68.24
CC1=CC=C(N2CCC(C(=O)NC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)CC2)[NH+]=C1	REAL300003521752	1	53	0.0	-76.98	413.80	10.76	-66.22
C[N@H+](CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300003521753	1	47	0.0	-83.12	376.44	11.25	-71.87
C[N@@H+](CC(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300003521753	1	47	0.0	-82.30	376.23	11.27	-71.03
CC(C)[C@@H](C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)[NH+](C)C	REAL300003521764	0	46	0.0	-75.45	347.11	9.88	-65.57
C[NH+](C)CC1=CC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=NO1	REAL300003521808	1	43	0.0	-83.19	358.91	8.70	-74.49
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521812	0	54	0.0	-81.48	421.83	12.70	-68.78
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521812	1	54	0.0	-83.82	425.60	12.76	-71.06
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521828	0	47	0.0	-72.30	358.67	9.77	-62.53
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003521828	1	47	0.0	-75.97	351.77	9.66	-66.31
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300003521836	0	55	0.0	-84.54	442.26	12.12	-72.42
C[NH+]1CCC(OCC(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003521855	0	48	0.0	-83.92	379.45	9.68	-74.24
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1	REAL300003521860	0	51	0.0	-81.38	404.60	11.26	-70.12
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)[C@@H](C(F)(F)F)C1	REAL300003521907	0	53	0.0	-80.89	414.60	10.86	-70.03
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)[C@@H](C(F)(F)F)C1	REAL300003521907	1	53	0.0	-76.11	413.46	10.91	-65.20
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003522061	0	50	0.0	-77.37	383.05	10.68	-66.69
CCC[N@H+]1CCCC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003522061	1	50	0.0	-71.07	377.06	10.86	-60.21
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003522093	0	50	0.0	-73.42	384.41	10.85	-62.57
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003522093	1	50	0.0	-75.51	373.91	10.75	-64.76
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1	REAL300003522094	1	48	0.0	-80.97	372.93	6.85	-74.12
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C1	REAL300003522198	0	55	0.0	-81.78	428.76	13.13	-68.65
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C1	REAL300003522198	1	55	0.0	-83.90	430.01	13.13	-70.77
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C=C1	REAL300003522241	1	54	0.0	-80.94	415.25	12.70	-68.24
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C=C1	REAL300003522241	1	54	0.0	-78.31	415.36	12.71	-65.60
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003522333	0	50	0.0	-70.42	372.98	10.64	-59.78
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003522333	1	50	0.0	-70.06	372.35	10.68	-59.38
C[N@@H+]1CC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300003522334	0	44	0.0	-88.54	363.35	9.43	-79.11
C[N@H+]1CC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300003522334	1	44	0.0	-86.41	356.70	9.14	-77.27
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)N1	REAL300003522359	1	45	0.0	-73.14	370.02	8.95	-64.19
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)=C1	REAL300003522865	0	50	0.0	-80.36	400.44	11.97	-68.39
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300003522873	0	51	0.0	-84.28	407.74	10.92	-73.36
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300003522970	0	57	0.0	-79.28	438.91	13.56	-65.72
CC1CN(CC2=CC=C(C(=O)NC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=C2)CCO1	REAL300003522972	0	55	0.0	-88.68	431.74	11.36	-77.32
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=C2)CCO1	REAL300003522972	1	55	0.0	-88.34	425.03	11.33	-77.01
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=C2)CCO1	REAL300003522972	1	55	0.0	-88.34	425.03	11.33	-77.01
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003523015	0	44	0.0	-78.99	349.03	9.41	-69.58
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003523019	0	50	0.0	-74.53	371.88	10.34	-64.19
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003523087	0	53	0.0	-71.49	394.50	11.54	-59.95
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003523087	1	53	0.0	-71.49	394.50	11.54	-59.95
CC[N@@H+]1CCCC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003523088	0	47	0.0	-70.75	355.77	10.15	-60.60
CC[N@H+]1CCCC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003523088	1	47	0.0	-70.75	355.77	10.15	-60.60
C[N@@H+]1CCCC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003523092	0	44	0.0	-70.97	338.08	9.50	-61.47
C[N@H+]1CCCC(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003523092	1	44	0.0	-70.97	338.08	9.50	-61.47
CN(C)CC1=CC=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)O1	REAL300003523094	0	44	0.0	-84.90	362.96	9.38	-75.52
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)O1	REAL300003523094	1	44	0.0	-84.90	362.96	9.38	-75.52
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003523100	0	53	0.0	-78.64	389.86	10.78	-67.86
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300003523100	1	53	0.0	-78.64	389.86	10.78	-67.86
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C23CC(C2)CN3C2CC2)C=C1	REAL300003523103	0	46	0.0	-76.57	357.10	10.26	-66.31
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300003523103	1	46	0.0	-75.82	357.86	10.73	-65.09
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300003523103	1	46	0.0	-75.82	357.86	10.73	-65.09
O=C([O-])COCCNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003524260	0	47	0.0	-69.37	371.26	7.89	-61.48
O=C([O-])COCCNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300003524981	0	44	0.0	-57.60	355.72	7.43	-50.17
O=C([O-])COCCNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300003524981	1	44	0.0	-54.34	348.34	6.84	-47.50
O=C([O-])COCCNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300003525655	0	47	0.0	-56.70	364.84	7.56	-49.14
CC1=NC(C[NH+]2CCC(C(=O)NCCOCC(=O)[O-])CC2)=CS1	REAL300003525701	1	46	0.0	-67.40	378.98	5.70	-61.70
C[NH+](C)CCOC1=CC=C(CCC(=O)NCCOCC(=O)[O-])C=C1	REAL300003525745	0	50	0.0	-72.21	404.51	7.47	-64.74
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCOCC(=O)[O-])=C1	REAL300003525753	0	50	0.0	-75.03	405.30	9.79	-65.24
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCCOCC(=O)[O-])=C1	REAL300003525753	1	50	0.0	-74.60	405.31	9.80	-64.80
CC1(C(=O)NCCOCC(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300003525754	0	50	0.0	-54.96	384.19	8.36	-46.60
O=C([O-])COCCNC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003525790	0	47	0.0	-68.60	386.52	8.25	-60.35
O=C([O-])COCCNC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003525790	1	47	0.0	-61.05	386.90	8.25	-52.80
O=C([O-])COCCNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300003525826	1	47	0.0	-63.08	366.11	7.78	-55.30
O=C([O-])COCCNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300003525826	1	47	0.0	-59.03	366.05	7.77	-51.26
O=C([O-])COCCNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300003525827	1	44	0.0	-61.38	361.76	7.47	-53.91
O=C([O-])COCCNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300003525827	1	44	0.0	-62.89	360.31	7.42	-55.47
O=C([O-])COCCNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003525867	0	40	0.0	-72.30	339.60	5.34	-66.96
C[NH+](C)CCN1N=CC(C(=O)NCCOCC(=O)[O-])=C1C1=CC=CC=C1	REAL300003525872	0	50	0.0	-75.43	403.74	7.46	-67.97
O=C([O-])COCCNC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003525895	0	48	0.0	-68.29	362.16	4.98	-63.31
CC[N@H+](CC1=CC=C(C(=O)NCCOCC(=O)[O-])C=C1)C(C)C	REAL300003525910	0	49	0.0	-68.41	377.14	7.81	-60.60
CC[N@@H+](CC1=CC=C(C(=O)NCCOCC(=O)[O-])C=C1)C(C)C	REAL300003525910	1	49	0.0	-68.59	367.94	7.39	-61.20
O=C([O-])COCCNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003525930	0	44	0.0	-64.70	355.02	7.21	-57.49
O=C([O-])COCCNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003525930	1	44	0.0	-64.54	355.45	7.22	-57.32
O=C([O-])COCCNC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003525931	0	45	0.0	-72.49	350.27	6.35	-66.14
C[NH+]1CCN(C(C(=O)NCCOCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300003525949	1	49	0.0	-63.92	383.86	6.01	-57.91
O=C([O-])COCCNC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003525950	0	48	0.0	-62.26	347.76	4.61	-57.65
O=C([O-])COCCNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003525959	0	50	0.0	-61.57	387.85	8.97	-52.60
O=C([O-])COCCNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003525959	1	50	0.0	-66.38	394.11	8.77	-57.61
O=C([O-])COCCNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300003525996	1	48	0.0	-60.10	378.35	4.65	-55.45
CC[NH+](CC)C(C(=O)NCCOCC(=O)[O-])C1=CC=CC=C1	REAL300003526001	0	46	0.0	-58.94	352.12	6.99	-51.95
C[NH+](C)C(C(=O)NCCOCC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300003526002	1	40	0.0	-58.05	341.84	6.72	-51.33
O=C([O-])COCCNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003526015	0	44	0.0	-71.40	352.53	7.28	-64.12
O=C([O-])COCCNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003526020	0	47	0.0	-70.15	370.16	8.05	-62.10
CCN1CCC([NH+]2CCC(C(=O)NCCOCC(=O)[O-])CC2)CC1	REAL300003526026	0	55	0.0	-67.00	405.31	5.65	-61.35
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCCOCC(=O)[O-])=C1	REAL300003526028	0	57	0.0	-67.98	454.39	11.41	-56.57
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCCOCC(=O)[O-])=C1	REAL300003526028	1	57	0.0	-64.05	450.74	11.43	-52.62
CC1C[NH+](CC2=CC=C(C(=O)NCCOCC(=O)[O-])C=C2)CC(C)O1	REAL300003526032	1	51	0.0	-75.34	403.44	7.09	-68.25
O=C([O-])COCCNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003526043	1	48	0.0	-71.96	377.99	7.20	-64.76
O=C([O-])COCCNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003526043	1	48	0.0	-70.81	384.78	7.24	-63.57
O=C([O-])COCCNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300003526058	0	47	0.0	-53.70	369.14	7.85	-45.85
O=C([O-])COCCNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300003526058	1	47	0.0	-58.11	369.07	7.86	-50.25
CC1=C(C(=O)NCCOCC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003526059	1	38	0.0	-76.32	324.62	4.56	-71.76
O=C([O-])COCCNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003526066	0	47	0.0	-72.01	369.85	8.01	-64.00
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCCOCC(=O)[O-]	REAL300003526076	0	57	0.0	-74.92	445.89	10.80	-64.12
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCCOCC(=O)[O-]	REAL300003526076	1	57	0.0	-71.34	444.78	10.93	-60.41
O=C([O-])COCCNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003526082	1	45	0.0	-62.27	364.56	6.74	-55.53
O=C([O-])COCCNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003526082	1	45	0.0	-70.67	364.58	6.74	-63.93
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NCCOCC(=O)[O-]	REAL300003526086	0	54	0.0	-64.53	414.64	9.55	-54.98
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NCCOCC(=O)[O-]	REAL300003526086	1	54	0.0	-63.18	407.45	9.27	-53.91
CC(C(=O)NCCOCC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003526094	0	53	0.0	-59.15	403.29	9.05	-50.10
COCCOCC[N@H+](C)CCC(=O)NCCOCC(=O)[O-]	REAL300003526118	0	47	0.0	-64.38	378.58	3.32	-61.06
COCCOCC[N@@H+](C)CCC(=O)NCCOCC(=O)[O-]	REAL300003526118	1	47	0.0	-64.16	378.62	3.34	-60.82
O=C([O-])COCCNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003526127	0	52	0.0	-69.77	404.75	6.85	-62.92
O=C([O-])COCCNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300003526128	1	46	0.0	-57.28	364.14	6.11	-51.17
O=C([O-])COCCNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300003526128	1	46	0.0	-59.38	354.66	5.97	-53.41
CC(C)[NH+]1CCN(CCC(=O)NCCOCC(=O)[O-])CC1	REAL300003526147	0	48	0.0	-64.18	365.80	3.88	-60.30
CC(C)N1CC[NH+](CCC(=O)NCCOCC(=O)[O-])CC1	REAL300003526147	1	48	0.0	-63.48	362.11	3.68	-59.80
CC(C)[NH+]1CCN(CCCC(=O)NCCOCC(=O)[O-])CC1	REAL300003526148	0	51	0.0	-66.46	387.30	4.69	-61.77
CC(C)N1CC[NH+](CCCC(=O)NCCOCC(=O)[O-])CC1	REAL300003526148	1	51	0.0	-65.57	383.61	4.48	-61.09
CC1=CC=CC(N2CC[NH+](CCC(=O)NCCOCC(=O)[O-])CC2)=C1	REAL300003526152	0	52	0.0	-67.45	404.65	6.71	-60.74
O=C([O-])COCCNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003526153	0	49	0.0	-67.24	383.25	6.05	-61.19
O=C([O-])COCCNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003526156	0	46	0.0	-67.75	366.52	6.14	-61.61
O=C([O-])COCCNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003526156	1	46	0.0	-63.80	360.14	6.25	-57.55
CC(C(=O)NCCOCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003526159	1	44	0.0	-59.22	345.48	7.28	-51.94
CC(C(=O)NCCOCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003526159	1	44	0.0	-57.32	348.90	7.06	-50.26
O=C([O-])COCCNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003526182	0	47	0.0	-67.85	373.52	7.85	-60.00
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CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC(C(=O)[O-])C2CCCCC2)[C@@H](C(F)(F)F)C1	REAL300003531551	0	58	0.0	-54.37	428.80	9.74	-44.63
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC(C(=O)[O-])C2CCCCC2)[C@@H](C(F)(F)F)C1	REAL300003531551	1	58	0.0	-55.48	421.71	9.86	-45.62
CCC[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCCCC2)C1	REAL300003531704	0	55	0.0	-59.68	398.56	9.55	-50.13
CCC[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCCCC2)C1	REAL300003531704	1	55	0.0	-56.39	393.35	9.64	-46.75
CC(C)C[N@@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1CCCCC1	REAL300003531737	0	55	0.0	-48.57	393.63	9.76	-38.81
CC(C)C[N@H+]1CCCC1C(=O)NCC(C(=O)[O-])C1CCCCC1	REAL300003531737	1	55	0.0	-47.60	388.58	9.27	-38.33
O=C([O-])C(CNC(=O)C[NH+]1CCC(CO)CC1)C1CCCCC1	REAL300003531738	0	53	0.0	-52.50	382.15	5.82	-46.68
O=C([O-])C(CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1CCCCC1	REAL300003531840	0	60	0.0	-54.44	443.75	12.01	-42.43
O=C([O-])C(CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1CCCCC1	REAL300003531840	1	60	0.0	-52.32	439.19	12.14	-40.18
O=C([O-])C(CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C1CCCCC1	REAL300003531881	1	59	0.0	-59.37	430.52	11.58	-47.79
O=C([O-])C(CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C1CCCCC1	REAL300003531881	1	59	0.0	-54.63	430.48	11.58	-43.05
CC(C)[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCCCC2)C1	REAL300003531976	0	55	0.0	-58.16	393.73	9.32	-48.84
CC(C)[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCCCC2)C1	REAL300003531976	1	55	0.0	-55.01	388.53	9.41	-45.60
C[N@@H+]1CC(C(=O)NCC(C(=O)[O-])C2CCCCC2)C(C(F)(F)F)C1	REAL300003531977	0	49	0.0	-58.77	378.81	8.27	-50.50
C[N@H+]1CC(C(=O)NCC(C(=O)[O-])C2CCCCC2)C(C(F)(F)F)C1	REAL300003531977	1	49	0.0	-72.22	371.62	8.26	-63.96
CC1=C(C)[NH+]=C(CCC(=O)NCC(C(=O)[O-])C2CCCCC2)N1	REAL300003532001	1	50	0.0	-52.77	379.86	7.90	-44.87
C[NH+](C)CCC1=CC=CC(C(=O)NCC(C(=O)[O-])C2CCCCC2)=C1	REAL300003532501	0	55	0.0	-71.29	408.95	10.95	-60.34
C[NH+](C)CCOC1=CC=C(C(=O)NCC(C(=O)[O-])C2CCCCC2)C=C1	REAL300003532509	0	56	0.0	-69.72	414.93	9.93	-59.79
O=C([O-])C(CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCCCC1	REAL300003532611	0	62	0.0	-61.58	448.01	12.57	-49.01
CC1CN(CC2=CC=C(C(=O)NCC(C(=O)[O-])C3CCCCC3)C=C2)CCO1	REAL300003532613	0	60	0.0	-74.14	440.36	10.18	-63.96
CC1C[N@H+](CC2=CC=C(C(=O)NCC(C(=O)[O-])C3CCCCC3)C=C2)CCO1	REAL300003532613	1	60	0.0	-72.11	433.87	10.30	-61.81
CC1C[N@@H+](CC2=CC=C(C(=O)NCC(C(=O)[O-])C3CCCCC3)C=C2)CCO1	REAL300003532613	1	60	0.0	-72.11	433.87	10.30	-61.81
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(C(=O)[O-])C2CCCCC2)CC1	REAL300003532660	0	55	0.0	-64.79	387.14	9.20	-55.59
CC1=[NH+]C=C2C=CC(C(=O)NCC(C(=O)[O-])C3CCCCC3)=CN21	REAL300003532664	0	47	0.0	-58.17	359.89	9.92	-48.25
CC(C)C[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCCCC2)C1	REAL300003532727	0	58	0.0	-51.87	403.23	10.57	-41.30
CC(C)C[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCCCC2)C1	REAL300003532727	1	58	0.0	-55.71	410.77	10.32	-45.39
CC[N@@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCCCC2)C1	REAL300003532728	0	52	0.0	-55.73	370.83	9.00	-46.73
CC[N@H+]1CCCC(C(=O)NCC(C(=O)[O-])C2CCCCC2)C1	REAL300003532728	1	52	0.0	-50.69	365.59	9.08	-41.61
C[NH+](C)CC1=CC=C(C(=O)NCC(C(=O)[O-])C2CCCCC2)O1	REAL300003532734	1	49	0.0	-65.27	372.89	8.44	-56.83
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(C(=O)[O-])C2CCCCC2)C1	REAL300003532740	0	58	0.0	-66.89	390.66	9.33	-57.56
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(C(=O)[O-])C2CCCCC2)C1	REAL300003532740	1	58	0.0	-69.09	404.85	9.64	-59.45
O=C([O-])C(CNC(=O)C12CC(C1)C[N@H+]2C1CC1)C1CCCCC1	REAL300003532743	1	51	0.0	-50.57	373.75	9.86	-40.71
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC3=CC=CC(Br)=C32)C1	REAL300003532807	1	43	0.0	-44.55	344.16	10.50	-34.05
O=C([O-])C1CCC[N@@H+](CC(=O)NC2C3CC4=C(Br)C=CC=C4C32)C1	REAL300003532989	1	45	0.0	-48.50	364.38	9.53	-38.97
CCC(CC1=CN(C)C2=CC=CC=C12)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003533102	0	56	0.0	-47.02	421.18	11.60	-35.42
CCC(CC1=CN(C)C2=CC=CC=C12)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003533102	1	56	0.0	-52.03	420.55	11.49	-40.54
CC1=C(C(=O)[O-])OC(CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300003534472	0	50	0.0	-75.17	397.07	9.92	-65.25
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300003535242	0	47	0.0	-64.55	373.82	8.81	-55.74
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300003535242	1	47	0.0	-66.59	379.59	9.33	-57.26
CC1=C(C(=O)[O-])OC(CNC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300003536166	0	44	0.0	-71.78	345.42	7.55	-64.23
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC3=C[NH+]=C(C)N3C2)=C1	REAL300003536194	1	42	0.0	-65.03	343.59	7.44	-57.59
CC1=C(C(=O)[O-])OC(CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=C1	REAL300003536195	0	50	0.0	-69.75	400.30	9.89	-59.86
CC1=NC(C[NH+]2CCC(C(=O)NCC3=CC(C)=C(C(=O)[O-])O3)CC2)=CS1	REAL300003536271	1	49	0.0	-75.07	404.06	7.61	-67.46
CC1=C(C(=O)[O-])OC(CNC(=O)C(C)N2CC[NH+](C)CC2)=C1	REAL300003536272	1	45	0.0	-72.49	349.24	4.53	-67.96
CC1=C(C(=O)[O-])OC(CNC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)=C1	REAL300003536356	0	53	0.0	-76.20	430.04	9.45	-66.75
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)=C1	REAL300003536368	0	53	0.0	-79.32	430.84	11.77	-67.55
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)=C1	REAL300003536368	1	53	0.0	-78.90	430.84	11.78	-67.12
CC1=C(C(=O)[O-])OC(CNC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300003536370	0	53	0.0	-73.22	409.70	10.34	-62.88
CC1=C(C(=O)[O-])OC(CNC(=O)C2(C[NH+](C)C)CCCCC2)=C1	REAL300003536455	0	49	0.0	-64.35	360.36	8.35	-56.00
CC1=C(C(=O)[O-])OC(CNC(=O)CC[N@@H+](C)C2CCCCC2)=C1	REAL300003536459	0	49	0.0	-71.70	374.40	8.30	-63.40
CC1=C(C(=O)[O-])OC(CNC(=O)CC[N@H+](C)C2CCCCC2)=C1	REAL300003536459	1	49	0.0	-72.01	374.39	8.29	-63.72
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C1	REAL300003536540	0	43	0.0	-75.27	365.23	7.32	-67.95
CC1=C(C(=O)[O-])OC(CNC(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)=C1	REAL300003536545	0	53	0.0	-79.28	429.26	9.44	-69.84
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCCC[N@@H+]2C2CCCC2)=C1	REAL300003536570	0	50	0.0	-64.50	373.93	8.50	-56.00
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCCC[N@H+]2C2CCCC2)=C1	REAL300003536570	1	50	0.0	-65.09	368.63	8.63	-56.46
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)=C1	REAL300003536571	0	51	0.0	-72.09	381.18	6.83	-65.26
CC1=C(C(=O)[O-])OC(CNC(=O)CCCN2C=C[NH+]=C2C)=C1	REAL300003536602	1	41	0.0	-69.35	346.94	7.60	-61.75
CC1=C(C(=O)[O-])OC(CNC(=O)CCCC[NH+]2CCOCC2)=C1	REAL300003536603	1	47	0.0	-75.47	374.25	6.28	-69.19
CC[N@H+](CC1=CC=C(C(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1)C(C)C	REAL300003536605	0	52	0.0	-74.52	402.67	9.79	-64.73
CC[N@@H+](CC1=CC=C(C(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1)C(C)C	REAL300003536605	1	52	0.0	-74.55	393.48	9.36	-65.19
CC1=C(C(=O)[O-])OC(CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300003536630	0	47	0.0	-72.91	380.99	9.14	-63.77
CC1=C(C(=O)[O-])OC(CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300003536630	1	47	0.0	-71.64	380.98	9.19	-62.45
CC1=C(C(=O)[O-])OC(CNC(=O)C2CC[NH+](C3CCSC3)CC2)=C1	REAL300003536631	0	48	0.0	-77.20	379.80	8.58	-68.62
CC1=C(C(=O)[O-])OC(CNC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)=C1	REAL300003536660	1	52	0.0	-73.14	409.36	7.98	-65.16
CC1=C(C(=O)[O-])OC(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)=C1	REAL300003536661	0	51	0.0	-72.18	368.90	6.36	-65.82
CC1=C(C(=O)[O-])OC(CNC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=C1	REAL300003536664	0	46	0.0	-69.76	371.12	8.68	-61.08
CC1=C(C(=O)[O-])OC(CNC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300003536664	1	46	0.0	-67.46	370.86	8.70	-58.76
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=C1	REAL300003536675	0	53	0.0	-67.79	413.38	10.95	-56.84
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=C1	REAL300003536675	1	53	0.0	-75.27	419.63	10.74	-64.53
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(C[NH+](C)C)N=C2)=C1	REAL300003536704	0	42	0.0	-76.86	349.93	6.70	-70.16
CCC[NH+](CCC)CCCC(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300003536715	0	51	0.0	-72.17	394.06	8.62	-63.55
CC1=C(C(=O)[O-])OC(CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)=C1	REAL300003536716	1	51	0.0	-69.12	404.07	6.64	-62.48
CC[N@H+](C)C(C(=O)NCC1=CC(C)=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300003536717	0	46	0.0	-67.00	368.50	8.86	-58.14
CC[N@@H+](C)C(C(=O)NCC1=CC(C)=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300003536717	1	46	0.0	-62.98	369.38	8.81	-54.17
CC[NH+](CC)C(C(=O)NCC1=CC(C)=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300003536722	0	49	0.0	-63.28	376.18	8.87	-54.41
CC1=C(C(=O)[O-])OC(CNC(=O)CN2C=C[NH+]=C2C(C)C)=C1	REAL300003536728	1	41	0.0	-65.47	341.71	7.42	-58.05
CC1=C(C(=O)[O-])OC(CNC(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)=C1	REAL300003536730	1	43	0.0	-68.35	367.37	8.70	-59.65
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=C1	REAL300003536744	0	47	0.0	-77.35	378.94	9.33	-68.02
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=C1	REAL300003536751	0	50	0.0	-74.07	395.70	10.03	-64.04
CCN1CCC([NH+]2CCC(C(=O)NCC3=CC(C)=C(C(=O)[O-])O3)CC2)CC1	REAL300003536758	0	58	0.0	-71.66	426.87	7.41	-64.25
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)=C1	REAL300003536765	1	54	0.0	-80.68	429.01	9.07	-71.61
CC1=C(C(=O)[O-])OC(CNC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300003536776	1	51	0.0	-80.10	403.53	9.18	-70.92
CC1=C(C(=O)[O-])OC(CNC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300003536776	1	51	0.0	-79.39	410.31	9.23	-70.16
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)=C1	REAL300003536791	1	50	0.0	-67.03	394.64	9.84	-57.19
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=C1	REAL300003536791	1	50	0.0	-67.77	385.18	9.68	-58.09
CC1=C(C(=O)[O-])OC(CNC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)=C1	REAL300003536793	1	41	0.0	-80.56	351.75	6.58	-73.98
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=C1	REAL300003536801	0	50	0.0	-77.56	395.69	10.04	-67.52
CC1=C(C(=O)[O-])OC(CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=C1	REAL300003536813	1	43	0.0	-79.85	359.39	6.78	-73.07
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=C1	REAL300003536814	0	46	0.0	-80.02	376.62	9.03	-70.99
CNC1=[NH+]C(C)=CC=C1C(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300003536825	1	39	0.0	-62.62	325.28	5.75	-56.87
CC1=C(C(=O)[O-])OC(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300003536826	1	48	0.0	-68.26	382.94	8.55	-59.71
CC1=C(C(=O)[O-])OC(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300003536826	1	48	0.0	-76.68	383.03	8.56	-68.12
CC1=C(C(=O)[O-])OC(CNC(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)=C1	REAL300003536840	0	56	0.0	-68.69	434.20	11.17	-57.52
CC1=C(C(=O)[O-])OC(CNC(=O)C[N@H+](C)CCC2=CC=CC=C2)=C1	REAL300003536887	0	46	0.0	-73.40	375.11	9.13	-64.27
CC1=C(C(=O)[O-])OC(CNC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=C1	REAL300003536887	1	46	0.0	-73.59	375.12	9.12	-64.47
COCCOCC[N@H+](C)CCC(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300003536888	0	50	0.0	-72.15	404.15	5.31	-66.84
COCCOCC[N@@H+](C)CCC(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300003536888	1	50	0.0	-73.62	404.16	5.32	-68.30
CC1=C(C(=O)[O-])OC(CNC(=O)CC2(O)CCC[N@@H+](C)C2)=C1	REAL300003536892	0	44	0.0	-70.74	343.42	5.14	-65.60
CC1=C(C(=O)[O-])OC(CNC(=O)CC2(O)CCC[N@H+](C)C2)=C1	REAL300003536892	1	44	0.0	-69.00	346.28	5.05	-63.95
CC1=C(C(=O)[O-])OC(CNC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)=C1	REAL300003536902	0	55	0.0	-77.34	430.28	8.84	-68.50
CCCCCC[N@H+](C)CC(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300003536906	0	48	0.0	-70.60	379.70	8.45	-62.15
CCCCCC[N@@H+](C)CC(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300003536906	1	48	0.0	-70.47	379.71	8.44	-62.03
CC1=C(C(=O)[O-])OC(CNC(=O)C[N@@H+](C)C2CCSC2)=C1	REAL300003536935	0	41	0.0	-75.14	335.47	6.92	-68.22
CC1=C(C(=O)[O-])OC(CNC(=O)C[N@H+](C)C2CCSC2)=C1	REAL300003536935	1	41	0.0	-73.93	335.26	6.94	-66.99
CC1=C(C(=O)[O-])OC(CNC(=O)CCN2CC[NH+](C(C)C)CC2)=C1	REAL300003536950	0	51	0.0	-70.50	386.22	5.49	-65.01
CC1=C(C(=O)[O-])OC(CNC(=O)CC[NH+]2CCN(C(C)C)CC2)=C1	REAL300003536950	1	51	0.0	-71.81	387.83	5.67	-66.14
CC1=C(C(=O)[O-])OC(CNC(=O)CCCN2CC[NH+](C(C)C)CC2)=C1	REAL300003536951	0	54	0.0	-70.13	412.83	6.67	-63.46
CC1=C(C(=O)[O-])OC(CNC(=O)CCC[NH+]2CCN(C(C)C)CC2)=C1	REAL300003536951	1	54	0.0	-72.90	409.33	6.47	-66.43
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCCC3CCC[N@@H+]32)=C1	REAL300003536952	0	44	0.0	-62.74	340.37	7.52	-55.22
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCCC3CCC[N@H+]32)=C1	REAL300003536952	1	44	0.0	-66.46	332.67	7.26	-59.20
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CN(CC[NH+](C)C)N=C2)=C1	REAL300003536954	0	43	0.0	-80.57	360.27	6.19	-74.38
CC1=C(C(=O)[O-])OC(CNC(=O)CC[NH+]2CCN(C3=CC(C)=CC=C3)CC2)=C1	REAL300003536961	0	55	0.0	-76.33	430.18	8.70	-67.63
CC1=C(C(=O)[O-])OC(CNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=C1	REAL300003536963	0	52	0.0	-76.28	408.78	8.03	-68.25
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=C1	REAL300003536966	0	49	0.0	-72.00	385.75	8.24	-63.76
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=C1	REAL300003536966	1	49	0.0	-71.95	385.70	8.23	-63.72
CC1=C(C(=O)[O-])OC(CNC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)=C1	REAL300003536971	1	47	0.0	-67.73	374.45	9.06	-58.67
CC1=C(C(=O)[O-])OC(CNC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)=C1	REAL300003536971	1	47	0.0	-69.14	371.04	9.26	-59.88
CC1=C(C(=O)[O-])OC(CNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300003536999	0	50	0.0	-76.05	401.01	9.91	-66.14
CC1=C(C(=O)[O-])OC(CNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300003536999	1	50	0.0	-75.52	398.92	9.85	-65.67
CC1=C(C(=O)[O-])OC(CNC(=O)C2=NN(CC[NH+](C)C)C=C2)=C1	REAL300003537014	0	43	0.0	-80.48	360.67	6.18	-74.30
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=NN2CC[NH+](C)C)=C1	REAL300003537015	0	43	0.0	-69.02	355.83	6.16	-62.86
CCC1=[NH+]C=CN1C(C)CC(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300003537021	1	44	0.0	-65.64	361.94	7.90	-57.74
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)=C1	REAL300003537037	0	50	0.0	-75.73	403.54	9.94	-65.79
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)=C1	REAL300003537037	1	50	0.0	-75.90	403.48	9.94	-65.96
CC1=C(C(=O)[O-])OC(CNC(=O)C(C)C[NH+]2CCOCC2)=C1	REAL300003537042	0	44	0.0	-72.43	347.29	5.42	-67.01
CC1=C(C(=O)[O-])OC(CNC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)=C1	REAL300003537043	0	51	0.0	-76.24	406.53	7.45	-68.79
CC1=C(C(=O)[O-])OC(CNC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)=C1	REAL300003537096	1	50	0.0	-80.23	393.52	8.12	-72.11
CC1=C(C(=O)[O-])OC(CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)=C1	REAL300003537097	0	50	0.0	-69.40	381.84	8.65	-60.75
CC1=C(C(=O)[O-])OC(CNC(=O)C2CC[N@H+](C3CCCCC3)C2)=C1	REAL300003537097	1	50	0.0	-69.03	380.65	8.58	-60.45
CC1=C(C(=O)[O-])OC(CNC(=O)C23CCC[NH+](CCC2)C3)=C1	REAL300003537116	0	44	0.0	-72.48	333.37	6.90	-65.58
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC3CCCC[N@@H+]32)=C1	REAL300003537120	0	44	0.0	-63.84	343.84	7.65	-56.19
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC3CCCC[N@H+]32)=C1	REAL300003537120	1	44	0.0	-63.36	343.83	7.63	-55.73
CC1=C(C(=O)[O-])OC(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)=C1	REAL300003537122	0	55	0.0	-79.18	429.62	8.74	-70.44
CC1=C(C(=O)[O-])OC(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)=C1	REAL300003537122	1	55	0.0	-77.33	428.90	8.68	-68.65
CC1=C(C(=O)[O-])OC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)=C1	REAL300003537129	0	47	0.0	-70.99	356.79	5.77	-65.22
CC1=C(C(=O)[O-])OC(CNC(=O)C2CC[N@@H+](C(C)C)CC2C2=CN(C)N=C2)=C1	REAL300003537134	0	56	0.0	-76.06	418.70	7.94	-68.12
CC1=C(C(=O)[O-])OC(CNC(=O)C2CC[N@H+](C(C)C)CC2C2=CN(C)N=C2)=C1	REAL300003537134	1	56	0.0	-79.09	427.18	8.17	-70.92
CC1=C(C(=O)[O-])OC(CNC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)=C1	REAL300003537135	0	50	0.0	-77.90	392.38	7.06	-70.84
CC1=C(C(=O)[O-])OC(CNC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)=C1	REAL300003537135	1	50	0.0	-77.12	399.96	7.50	-69.62
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)=C1	REAL300003537140	0	52	0.0	-72.27	412.81	7.60	-64.67
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)=C1	REAL300003537141	0	52	0.0	-77.06	412.74	7.61	-69.45
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)=C1	REAL300003537141	1	52	0.0	-78.42	412.22	7.49	-70.93
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1	REAL300003537142	0	53	0.0	-75.44	419.13	9.30	-66.14
CC1=C(C(=O)[O-])OC(CNC(=O)C2CC[NH+](C(C)C)CC2)=C1	REAL300003537148	0	46	0.0	-69.73	351.23	7.30	-62.43
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)=C1	REAL300003537262	0	54	0.0	-80.16	427.37	7.34	-72.82
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=CC(C[NH+](C)C)=C2)=C1	REAL300003537266	0	43	0.0	-76.28	354.14	8.17	-68.11
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300003537267	0	50	0.0	-68.68	390.89	10.08	-58.60
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300003537267	1	50	0.0	-71.68	397.08	9.87	-61.81
C#CC[NH+]1CCC(C(=O)NCC2=CC(C)=C(C(=O)[O-])O2)CC1	REAL300003537333	0	42	0.0	-74.16	345.23	7.50	-66.66
CCC[N@@H+]1CCCCC1C(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300003537335	0	46	0.0	-67.35	347.83	7.52	-59.83
CCC[N@H+]1CCCCC1C(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300003537335	1	46	0.0	-66.05	357.26	7.67	-58.38
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=CC=C2C[NH+](C)C)=C1	REAL300003537337	0	43	0.0	-62.42	346.56	8.46	-53.96
CC[NH+]1CCN(CCC(=O)NCC2=CC(C)=C(C(=O)[O-])O2)CC1	REAL300003537339	0	48	0.0	-71.64	373.42	5.20	-66.44
CCN1CC[NH+](CCC(=O)NCC2=CC(C)=C(C(=O)[O-])O2)CC1	REAL300003537339	1	48	0.0	-71.95	374.59	5.35	-66.60
CC1=C(C(=O)[O-])OC(CNC(=O)C(C(C)C)[NH+]2CCCCC2)=C1	REAL300003537341	0	49	0.0	-66.52	364.20	8.34	-58.18
CC1=C(C(=O)[O-])OC(CNC(=O)C(C2=CC=CC=C2)[NH+](C)C)=C1	REAL300003537342	1	43	0.0	-68.85	350.71	8.18	-60.67
CC1=C(C(=O)[O-])OC(CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300003537346	0	48	0.0	-71.07	389.25	6.10	-64.97
CC1=C(C(=O)[O-])OC(CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300003537346	1	48	0.0	-69.53	389.19	6.11	-63.42
CC1=C(C(=O)[O-])OC(CNC(=O)CCN2C=C[NH+]=C2C(C)C)=C1	REAL300003537352	1	44	0.0	-65.05	361.39	7.84	-57.21
CC1=C(C(=O)[O-])OC(CNC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)=C1	REAL300003537353	0	46	0.0	-71.02	381.25	8.52	-62.50
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@@H+]2C2CCCC2)=C1	REAL300003537358	0	47	0.0	-66.03	352.00	8.04	-57.99
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@H+]2C2CCCC2)=C1	REAL300003537358	1	47	0.0	-65.41	361.90	8.07	-57.34
CC1=C(C(=O)[O-])OC(CNC(=O)C(C)[NH+]2CCCCCC2)=C1	REAL300003537388	0	46	0.0	-64.84	347.07	7.48	-57.36
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)=C1	REAL300003537424	1	48	0.0	-80.68	388.92	8.61	-72.07
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)=C1	REAL300003537424	1	48	0.0	-80.25	389.13	8.59	-71.66
CC[NH+](CC)CC1=CC=C(C(=O)NCC2=CC(C)=C(C(=O)[O-])O2)O1	REAL300003537482	0	46	0.0	-73.06	376.34	7.85	-65.21
CC1=C(C(=O)[O-])OC(CNC(=O)CCCC[NH+]2CCCC2)=C1	REAL300003537483	0	46	0.0	-72.33	367.31	8.01	-64.32
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)=C1	REAL300003537485	1	49	0.0	-68.93	390.01	7.77	-61.16
CC1=C(C(=O)[O-])OC(CNC(=O)C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300003537486	1	43	0.0	-73.14	352.64	8.29	-64.85
CC1=C(C(=O)[O-])OC(CNC(=O)C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300003537486	1	43	0.0	-72.90	352.69	8.28	-64.62
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)=C1	REAL300003537490	0	55	0.0	-75.88	422.15	8.55	-67.33
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)=C1	REAL300003537504	1	38	0.0	-79.38	335.28	6.13	-73.25
CC1=C(C(=O)[O-])OC(CNC(=O)C2=NOC(C[NH+](C)C)=C2)=C1	REAL300003537533	1	39	0.0	-81.46	335.08	5.72	-75.74
CC1=C(C(=O)[O-])OC(CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)=C1	REAL300003537539	0	50	0.0	-75.35	400.68	9.67	-65.68
CC1=C(C(=O)[O-])OC(CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)=C1	REAL300003537539	1	50	0.0	-73.94	397.60	9.75	-64.19
CC1=C(C(=O)[O-])OC(CNC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)=C1	REAL300003537563	0	51	0.0	-77.91	418.47	9.16	-68.75
CC1=C(C(=O)[O-])OC(CNC(=O)COC2CC[NH+](C)CC2)=C1	REAL300003537580	0	44	0.0	-77.29	355.93	6.79	-70.50
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=C1	REAL300003537586	0	47	0.0	-74.57	382.13	8.37	-66.20
CC1=C(C(=O)[O-])OC(CNC(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)=C1	REAL300003537627	0	49	0.0	-68.79	389.94	7.92	-60.87
CC1=C(C(=O)[O-])OC(CNC(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)=C1	REAL300003537627	1	49	0.0	-64.99	388.60	7.98	-57.01
CCC[N@@H+]1CCCC(C(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C1	REAL300003537771	0	46	0.0	-70.41	359.73	7.71	-62.70
CCC[N@H+]1CCCC(C(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C1	REAL300003537771	1	46	0.0	-69.81	359.72	7.71	-62.10
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@H+]2CC(C)C)=C1	REAL300003537803	0	46	0.0	-67.45	354.93	7.34	-60.11
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@@H+]2CC(C)C)=C1	REAL300003537803	1	46	0.0	-65.10	354.92	7.34	-57.76
CC1=C(C(=O)[O-])OC(CNC(=O)C[NH+]2CCC(CO)CC2)=C1	REAL300003537806	1	44	0.0	-70.60	349.77	3.88	-66.72
CC1=C(C(=O)[O-])OC(CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=C1	REAL300003537900	0	51	0.0	-68.42	404.88	10.18	-58.24
CC1=C(C(=O)[O-])OC(CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=C1	REAL300003537900	1	51	0.0	-69.52	405.80	10.15	-59.37
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@@H+](C(C)C)C2)=C1	REAL300003538027	0	46	0.0	-65.27	348.63	7.69	-57.58
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@H+](C(C)C)C2)=C1	REAL300003538027	1	46	0.0	-68.07	354.88	7.48	-60.59
CC1=C(C(=O)[O-])OC(CNC(=O)C2C[N@@H+](C)CC2C(F)(F)F)=C1	REAL300003538028	0	40	0.0	-78.71	330.36	6.96	-71.75
CC1=C(C(=O)[O-])OC(CNC(=O)C2C[N@H+](C)CC2C(F)(F)F)=C1	REAL300003538028	1	40	0.0	-75.96	332.69	6.42	-69.54
CC1=C(C(=O)[O-])OC(CNC(=O)CCC2=[NH+]C(C)=C(C)N2)=C1	REAL300003538054	1	41	0.0	-65.95	346.22	5.98	-59.97
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=CC(CC[NH+](C)C)=C2)=C1	REAL300003538528	0	46	0.0	-77.74	376.62	9.01	-68.73
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)=C1	REAL300003538534	0	47	0.0	-77.05	383.92	7.97	-69.08
CC1=C(C(=O)[O-])OC(CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300003538624	0	53	0.0	-73.23	415.69	10.63	-62.60
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)=C1	REAL300003538626	1	51	0.0	-79.78	401.48	8.35	-71.43
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)=C1	REAL300003538626	1	51	0.0	-79.95	401.55	8.35	-71.60
CC1=C(C(=O)[O-])OC(CNC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=C1	REAL300003538669	0	46	0.0	-71.57	348.27	7.37	-64.20
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@@H+](CC(C)C)C2)=C1	REAL300003538735	0	49	0.0	-69.21	377.14	8.41	-60.80
CC1=C(C(=O)[O-])OC(CNC(=O)C2CCC[N@H+](CC(C)C)C2)=C1	REAL300003538735	1	49	0.0	-69.21	377.14	8.41	-60.80
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(CN(C)C)O2)=C1	REAL300003538740	0	40	0.0	-75.82	339.47	6.40	-69.42
CC1=C(C(=O)[O-])OC(CNC(=O)C2=CC=C(C[NH+](C)C)O2)=C1	REAL300003538740	1	40	0.0	-75.82	339.47	6.40	-69.42
CC1=C(C(=O)[O-])OC(CNC(=O)C(C)(C)C2CCC[N@@H+](C)C2)=C1	REAL300003538745	0	49	0.0	-74.28	365.98	7.82	-66.46
CC1=C(C(=O)[O-])OC(CNC(=O)C(C)(C)C2CCC[N@H+](C)C2)=C1	REAL300003538745	1	49	0.0	-74.28	365.98	7.82	-66.46
CC1=C(C(=O)[O-])OC(CNC(=O)C23CC(C2)CN3C2CC2)=C1	REAL300003538748	0	42	0.0	-66.39	334.28	7.35	-59.04
CC1=C(C(=O)[O-])OC(CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300003538748	1	42	0.0	-64.02	332.25	8.13	-55.89
CC1=C(C(=O)[O-])OC(CNC(=O)C23CC(C2)C[N@H+]3C2CC2)=C1	REAL300003538748	1	42	0.0	-64.02	332.25	8.13	-55.89
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=C(C=CC=C3C(F)(F)F)C2)C1	REAL300003538831	0	47	0.0	-51.55	365.31	10.44	-41.11
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=C(C=CC=C3C(F)(F)F)C2)C1	REAL300003538831	1	47	0.0	-51.55	365.31	10.44	-41.11
COC1=CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=N1	REAL300003538947	0	46	0.0	-50.64	357.18	4.44	-46.20
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CN(C(F)F)C3=CC=CC=C23)C1	REAL300003539068	0	47	0.0	-51.34	380.49	9.19	-42.15
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CN(C(F)F)C3=CC=CC=C23)C1	REAL300003539068	1	47	0.0	-48.76	374.30	9.16	-39.60
COC1=CC(C)=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300003539202	0	47	0.0	-48.30	351.00	7.76	-40.54
COC1=CC(C)=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300003539202	1	47	0.0	-50.38	352.81	8.26	-42.12
CCOCC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300003539317	0	48	0.0	-50.14	361.68	6.05	-44.09
CCOCC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300003539317	1	48	0.0	-46.93	354.93	5.59	-41.34
CC1=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC(F)=CC=C2N1	REAL300003539430	0	50	0.0	-51.82	390.70	8.82	-43.00
CC1=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC(F)=CC=C2N1	REAL300003539430	1	50	0.0	-49.78	387.93	8.34	-41.44
COC1=CC=CC=C1[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003539548	0	57	0.0	-45.64	412.48	10.76	-34.88
COC1=CC=CC=C1[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003539548	1	57	0.0	-46.40	413.17	10.77	-35.63
CC1=CC=CC(C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)C)=C1	REAL300003539650	0	52	0.0	-47.45	382.10	10.33	-37.12
CC1=CC=CC(C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)C)=C1	REAL300003539650	1	52	0.0	-48.07	387.11	10.03	-38.04
CSCCC1=CC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003539789	0	47	0.0	-46.94	367.08	9.77	-37.17
CSCCC1=CC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003539789	1	47	0.0	-48.73	367.92	10.22	-38.51
O=C([O-])CC1CCCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003540935	0	53	0.0	-78.15	382.89	12.28	-65.87
CC1=[NH+]C=C2CCC(C(=O)N3CCCCC3CC(=O)[O-])CN12	REAL300003542223	1	45	0.0	-63.66	329.64	9.75	-53.91
CC1=NC(C[NH+]2CCC(C(=O)N3CCCCC3CC(=O)[O-])CC2)=CS1	REAL300003542275	1	52	0.0	-78.99	390.20	10.03	-68.96
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCCC2CC(=O)[O-])C=C1	REAL300003542337	0	56	0.0	-84.33	416.93	12.10	-72.23
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCCC2CC(=O)[O-])=C1	REAL300003542343	0	56	0.0	-86.02	416.49	14.02	-72.00
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCCC2CC(=O)[O-])=C1	REAL300003542343	1	56	0.0	-85.12	416.45	14.03	-71.09
C[NH+](C)CC1(C(=O)N2CCCCC2CC(=O)[O-])CCCCC1	REAL300003542411	0	52	0.0	-58.32	330.49	9.98	-48.34
C[N@H+](CCC(=O)N1CCCCC1CC(=O)[O-])C1CCCCC1	REAL300003542413	0	52	0.0	-67.02	361.56	10.89	-56.13
C[N@@H+](CCC(=O)N1CCCCC1CC(=O)[O-])C1CCCCC1	REAL300003542413	1	52	0.0	-66.99	361.50	10.90	-56.09
O=C([O-])CC1CCCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003542472	0	46	0.0	-82.84	351.53	9.62	-73.22
O=C([O-])CC1CCCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003542491	0	54	0.0	-81.51	374.08	9.37	-72.14
O=C([O-])CC1CCCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300003542515	1	50	0.0	-76.66	361.31	8.87	-67.79
CC[N@H+](CC1=CC=C(C(=O)N2CCCCC2CC(=O)[O-])C=C1)C(C)C	REAL300003542516	0	55	0.0	-93.88	378.90	11.79	-82.09
CC[N@@H+](CC1=CC=C(C(=O)N2CCCCC2CC(=O)[O-])C=C1)C(C)C	REAL300003542516	1	55	0.0	-84.72	379.61	11.58	-73.14
O=C([O-])CC1CCCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003542533	0	50	0.0	-68.25	365.52	11.60	-56.65
O=C([O-])CC1CCCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003542533	1	50	0.0	-69.15	364.82	11.56	-57.59
O=C([O-])CC1CCCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003542534	0	51	0.0	-81.67	365.47	11.01	-70.66
O=C([O-])CC1CCCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003542556	0	54	0.0	-72.28	360.18	8.86	-63.42
CC(C(=O)N1CCCCC1CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003542559	0	49	0.0	-58.41	352.79	11.05	-47.36
CC(C(=O)N1CCCCC1CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003542559	1	49	0.0	-61.82	356.68	11.13	-50.69
O=C([O-])CC1CCCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003542567	0	56	0.0	-69.06	404.73	13.17	-55.89
O=C([O-])CC1CCCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003542567	1	56	0.0	-73.11	406.28	13.19	-59.92
C[NH+](C)CC1=CC=C(C(=O)N2CCCCC2CC(=O)[O-])C=N1	REAL300003542584	0	45	0.0	-82.45	335.45	8.48	-73.97
CCC[NH+](CCC)CCCC(=O)N1CCCCC1CC(=O)[O-]	REAL300003542591	0	54	0.0	-73.11	381.65	11.23	-61.88
O=C([O-])CC1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003542609	0	50	0.0	-87.84	364.67	11.59	-76.25
O=C([O-])CC1CCCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003542614	0	53	0.0	-81.38	381.37	12.29	-69.09
CCC(C(=O)N1CCCCC1CC(=O)[O-])[N@@H+]1CCOC(CC)C1	REAL300003542617	1	53	0.0	-58.80	358.15	9.13	-49.67
CCC(C(=O)N1CCCCC1CC(=O)[O-])[N@H+]1CCOC(CC)C1	REAL300003542617	1	53	0.0	-61.84	365.89	9.19	-52.65
CCN1CCC([NH+]2CCC(C(=O)N3CCCCC3CC(=O)[O-])CC2)CC1	REAL300003542620	0	61	0.0	-77.21	415.41	9.94	-67.27
CC1C[NH+](CC2=CC=C(C(=O)N3CCCCC3CC(=O)[O-])C=C2)CC(C)O1	REAL300003542627	1	57	0.0	-90.38	414.70	11.32	-79.06
O=C([O-])CC1CCCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003542636	1	54	0.0	-84.80	390.99	11.39	-73.41
O=C([O-])CC1CCCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003542636	1	54	0.0	-83.50	397.76	11.44	-72.06
CC1=C(C(=O)N2CCCCC2CC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003542650	1	44	0.0	-83.48	336.84	8.77	-74.71
O=C([O-])CC1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003542653	0	53	0.0	-88.31	381.41	12.30	-76.01
O=C([O-])CC1CCCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003542664	1	46	0.0	-82.28	344.66	9.74	-72.54
C[NH+](C)CCC1=CC=C(C(=O)N2CCCCC2CC(=O)[O-])C=C1	REAL300003542665	0	49	0.0	-94.26	362.30	11.29	-82.97
O=C([O-])CC1CCCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003542669	1	51	0.0	-84.44	373.73	10.61	-73.83
O=C([O-])CC1CCCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003542669	1	51	0.0	-75.75	373.20	10.59	-65.16
CC(C(=O)N1CCCCC1CC(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003542678	0	59	0.0	-60.50	419.34	13.68	-46.82
CC(C(=O)N1CCCCC1CC(=O)[O-])[NH+]1CCSCC1	REAL300003542700	1	44	0.0	-63.31	313.95	8.75	-54.56
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCCC1CC(=O)[O-]	REAL300003542707	0	49	0.0	-59.43	362.26	11.58	-47.85
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCCC1CC(=O)[O-]	REAL300003542707	1	49	0.0	-59.46	362.24	11.55	-47.91
COCCOCC[N@H+](C)CCC(=O)N1CCCCC1CC(=O)[O-]	REAL300003542708	0	53	0.0	-65.47	391.22	7.93	-57.54
COCCOCC[N@@H+](C)CCC(=O)N1CCCCC1CC(=O)[O-]	REAL300003542708	1	53	0.0	-69.65	391.33	7.92	-61.73
O=C([O-])CC1CCCCN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003542715	0	58	0.0	-73.62	416.84	11.38	-62.24
C[N@H+](CC(=O)N1CCCCC1CC(=O)[O-])C1CCSC1	REAL300003542737	0	44	0.0	-63.83	323.04	9.36	-54.47
C[N@@H+](CC(=O)N1CCCCC1CC(=O)[O-])C1CCSC1	REAL300003542737	1	44	0.0	-64.54	322.70	9.38	-55.16
CC(C)[NH+]1CCN(CCC(=O)N2CCCCC2CC(=O)[O-])CC1	REAL300003542747	0	54	0.0	-73.42	378.44	8.46	-64.96
CC(C)N1CC[NH+](CCC(=O)N2CCCCC2CC(=O)[O-])CC1	REAL300003542747	1	54	0.0	-65.27	377.79	8.44	-56.83
CC(C)[NH+]1CCN(CCCC(=O)N2CCCCC2CC(=O)[O-])CC1	REAL300003542748	0	57	0.0	-71.38	394.79	8.89	-62.49
CC(C)N1CC[NH+](CCCC(=O)N2CCCCC2CC(=O)[O-])CC1	REAL300003542748	1	57	0.0	-69.96	396.39	9.06	-60.90
C[NH+](C)CCN1C=C(C(=O)N2CCCCC2CC(=O)[O-])C=N1	REAL300003542750	0	46	0.0	-84.15	344.26	8.43	-75.72
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCCC3CC(=O)[O-])CC2)=C1	REAL300003542753	0	58	0.0	-69.37	417.30	11.31	-58.06
O=C([O-])CC1CCCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003542755	0	55	0.0	-68.63	395.85	10.63	-58.00
O=C([O-])CC1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003542758	0	52	0.0	-65.64	377.14	10.52	-55.12
O=C([O-])CC1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003542758	1	52	0.0	-71.42	377.32	10.41	-61.01
CC(C(=O)N1CCCCC1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003542763	0	50	0.0	-57.10	355.03	11.32	-45.78
CC(C(=O)N1CCCCC1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003542763	1	50	0.0	-64.13	354.37	11.43	-52.70
CC(C(=O)N1CCCCC1CC(=O)[O-])[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300003542765	1	55	0.0	-62.32	396.13	10.43	-51.89
O=C([O-])CC1CCCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003542782	0	53	0.0	-77.51	386.35	12.40	-65.11
O=C([O-])CC1CCCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003542782	1	53	0.0	-74.20	387.81	12.47	-61.73
C[NH+](C)CCN1C=CC(C(=O)N2CCCCC2CC(=O)[O-])=N1	REAL300003542793	0	46	0.0	-96.91	344.62	9.07	-87.84
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCCC1CC(=O)[O-]	REAL300003542794	0	46	0.0	-60.16	339.87	8.17	-51.99
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCCC1CC(=O)[O-]	REAL300003542795	1	47	0.0	-63.20	349.01	10.39	-52.81
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCCC2CC(=O)[O-])=NN1	REAL300003542798	1	47	0.0	-85.64	345.95	8.66	-76.98
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCCC2CC(=O)[O-])=NN1	REAL300003542798	1	47	0.0	-83.27	346.22	8.63	-74.64
O=C([O-])CC1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003542806	0	53	0.0	-61.83	376.75	12.20	-49.63
O=C([O-])CC1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003542806	1	53	0.0	-71.80	388.87	12.33	-59.47
O=C([O-])CC1CCCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003542810	0	54	0.0	-67.54	393.61	10.05	-57.49
O=C([O-])CC1CCCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003542846	0	53	0.0	-67.79	364.35	10.96	-56.83
O=C([O-])CC1CCCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003542846	1	53	0.0	-68.03	363.62	10.92	-57.11
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCCC3CC(=O)[O-])=C2)CC1	REAL300003542871	0	55	0.0	-84.28	398.48	9.86	-74.42
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCCC3CC(=O)[O-])C=C2)CC1	REAL300003542872	0	55	0.0	-85.47	398.40	9.87	-75.60
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCCC3CC(=O)[O-])C=C2)CC1	REAL300003542872	1	55	0.0	-89.02	397.89	9.74	-79.28
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCCC2CC(=O)[O-])C=C1	REAL300003542873	0	56	0.0	-92.71	404.01	11.28	-81.43
O=C([O-])CC1CCCCN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003542950	0	57	0.0	-92.59	413.04	9.60	-82.99
C[NH+](C)CC1=CC=CC(C(=O)N2CCCCC2CC(=O)[O-])=C1	REAL300003542954	0	46	0.0	-79.59	339.75	10.42	-69.17
O=C([O-])CC1CCCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003542955	0	53	0.0	-70.61	382.60	12.25	-58.36
O=C([O-])CC1CCCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003542955	1	53	0.0	-68.06	382.60	12.27	-55.79
CC[NH+]1CCN(CCC(=O)N2CCCCC2CC(=O)[O-])CC1	REAL300003542996	0	51	0.0	-75.36	361.70	7.95	-67.41
CCN1CC[NH+](CCC(=O)N2CCCCC2CC(=O)[O-])CC1	REAL300003542996	1	51	0.0	-65.31	361.15	7.90	-57.41
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCCC1CC(=O)[O-]	REAL300003543002	1	47	0.0	-62.58	348.51	10.44	-52.14
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCCC3CC(=O)[O-])=CC=C1N2	REAL300003543049	1	51	0.0	-87.45	375.28	10.78	-76.67
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCCC3CC(=O)[O-])=CC=C1N2	REAL300003543049	1	51	0.0	-87.22	373.38	10.81	-76.41
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCCC2CC(=O)[O-])O1	REAL300003543089	0	49	0.0	-86.25	359.64	10.39	-75.86
CC1=CC=C(N2CCC(C(=O)N3CCCCC3CC(=O)[O-])CC2)[NH+]=C1	REAL300003543090	1	52	0.0	-78.26	376.51	10.24	-68.02
C[N@H+](CC(=O)N1CCCCC1CC(=O)[O-])CC1=CC=CC=C1	REAL300003543091	1	46	0.0	-61.04	339.79	10.74	-50.30
C[N@@H+](CC(=O)N1CCCCC1CC(=O)[O-])CC1=CC=CC=C1	REAL300003543091	1	46	0.0	-61.65	339.81	10.72	-50.93
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCCC3CC(=O)[O-])C=C2)CC1	REAL300003543094	0	58	0.0	-91.07	407.85	10.81	-80.26
O=C([O-])CC1CCCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003543103	1	41	0.0	-82.99	319.26	8.37	-74.62
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCC1CC(=O)[O-]	REAL300003543130	0	53	0.0	-65.51	376.66	11.94	-53.57
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCCC1CC(=O)[O-]	REAL300003543130	1	53	0.0	-82.80	386.80	12.15	-70.65
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCCC2CC(=O)[O-])C=C1	REAL300003543147	0	54	0.0	-91.38	404.60	11.77	-79.61
O=C([O-])CC1CCCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003543161	0	50	0.0	-85.54	365.49	10.67	-74.87
C[N@@H+]1CC(C(=O)N2CCCCC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300003543455	0	43	0.0	-64.42	311.32	8.38	-56.04
C[N@H+]1CC(C(=O)N2CCCCC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300003543455	1	43	0.0	-78.02	308.12	9.09	-68.93
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCCC2CC(=O)[O-])=C1	REAL300003543795	0	49	0.0	-82.94	362.30	11.28	-71.66
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCCC2CC(=O)[O-])C=C1	REAL300003543800	0	50	0.0	-88.69	369.72	10.17	-78.52
O=C([O-])CC1CCCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003543872	0	56	0.0	-72.79	402.75	13.12	-59.67
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCCC3CC(=O)[O-])C=C2)CCO1	REAL300003543874	1	54	0.0	-92.48	386.42	10.56	-81.92
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCCC3CC(=O)[O-])C=C2)CCO1	REAL300003543874	1	54	0.0	-90.20	388.34	10.53	-79.67
CC1=[NH+]C=C2C=CC(C(=O)N3CCCCC3CC(=O)[O-])=CN21	REAL300003543898	0	41	0.0	-72.49	313.14	10.23	-62.26
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCCC2CC(=O)[O-])C1	REAL300003543935	0	52	0.0	-58.53	351.12	10.64	-47.89
CC(C)C[N@H+]1CCCC(C(=O)N2CCCCC2CC(=O)[O-])C1	REAL300003543935	1	52	0.0	-55.16	354.40	10.91	-44.25
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3=CC=CC=C32)C1	REAL300003543977	0	44	0.0	-47.60	331.33	8.61	-38.99
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3=CC=CC=C32)C1	REAL300003543977	1	44	0.0	-48.39	336.80	8.59	-39.80
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3(CCC4=CC=CC=C4O3)C2)C1	REAL300003544081	0	55	0.0	-49.08	400.97	10.89	-38.19
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3(CCC4=CC=CC=C4O3)C2)C1	REAL300003544081	1	55	0.0	-49.32	400.31	10.88	-38.44
CC1(C)C(C2=CC=CC(F)=C2)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003544198	0	53	0.0	-49.15	391.98	11.34	-37.81
CC1(C)C(C2=CC=CC(F)=C2)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003544198	1	53	0.0	-49.48	391.43	11.28	-38.20
COCCOCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003544315	0	51	0.0	-53.70	395.08	7.29	-46.41
COCCOCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003544315	1	51	0.0	-53.18	401.43	7.25	-45.93
O=C([O-])C1=NN(C2=CC=C(NC(=O)C3CC[NH+](C4CC4)CC3)C=C2F)C=C1	REAL300003545896	0	48	0.0	-99.76	386.64	9.95	-89.81
O=C([O-])C1=NN(C2=CC=C(NC(=O)C3CCC[N@@H+]3C3CC3)C=C2F)C=C1	REAL300003545919	1	45	0.0	-92.61	365.61	9.19	-83.42
O=C([O-])C1=NN(C2=CC=C(NC(=O)C3CCC[N@H+]3C3CC3)C=C2F)C=C1	REAL300003545919	1	45	0.0	-93.39	365.37	9.25	-84.14
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(N4C=CC(C(=O)[O-])=N4)C(F)=C3)CN12	REAL300003545924	1	46	0.0	-91.92	381.15	9.62	-82.30
C[NH+](C)CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003545984	1	37	0.0	-89.61	312.11	6.69	-82.92
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003545985	1	44	0.0	-83.73	354.03	8.29	-75.44
C[N@H+]1CCCCC1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003545985	1	44	0.0	-85.21	354.05	8.29	-76.92
CC(C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)N1CC[NH+](C)CC1	REAL300003545986	1	49	0.0	-84.98	385.08	6.53	-78.45
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546019	1	44	0.0	-83.30	353.80	8.32	-74.98
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546019	1	44	0.0	-85.95	344.55	8.11	-77.84
C[NH+]1CCC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CC1	REAL300003546074	0	44	0.0	-95.62	357.39	8.54	-87.08
O=C([O-])C1=NN(C2=CC=C(NC(=O)C3=CN4C=[NH+]C=C4C=C3)C=C2F)C=C1	REAL300003546104	0	39	0.0	-92.23	343.46	10.38	-81.85
C[NH+](C)CC1(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CCCCC1	REAL300003546130	0	53	0.0	-90.24	394.18	10.14	-80.10
C[N@H+](CCC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)C1CCCCC1	REAL300003546134	0	53	0.0	-101.18	411.41	10.49	-90.69
C[N@@H+](CCC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)C1CCCCC1	REAL300003546134	1	53	0.0	-101.38	411.40	10.49	-90.89
C[N@@H+]1CCCC1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546148	1	41	0.0	-84.05	337.67	7.66	-76.39
C[N@H+]1CCCC1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546148	1	41	0.0	-90.73	339.77	7.88	-82.85
C[NH+]1CCC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CC1	REAL300003546194	0	44	0.0	-95.62	357.39	8.54	-87.08
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546234	1	45	0.0	-94.85	383.96	9.79	-85.06
O=C([O-])C1=NN(C2=CC=C(NC(=O)CCCC[NH+]3CCOCC3)C=C2F)C=C1	REAL300003546235	1	51	0.0	-101.24	411.26	8.48	-92.76
C[C@@H](C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)[NH+](C)C	REAL300003546241	0	40	0.0	-85.89	329.89	7.11	-78.78
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546242	1	41	0.0	-98.95	333.24	7.43	-91.52
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546242	1	41	0.0	-94.87	338.58	7.94	-86.93
C[C@H](C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)[NH+](C)C	REAL300003546246	0	40	0.0	-86.38	329.17	7.18	-79.20
C[NH+](C)C1(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CC1	REAL300003546254	1	41	0.0	-94.24	335.88	7.96	-86.28
CCC(C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)[NH+](CC)CC	REAL300003546313	0	49	0.0	-80.76	373.42	8.84	-71.92
CC(C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300003546315	0	50	0.0	-95.64	408.13	10.87	-84.77
CC(C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003546315	1	50	0.0	-91.24	406.76	10.68	-80.56
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=N1	REAL300003546333	0	46	0.0	-103.83	386.92	8.90	-94.93
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546337	0	55	0.0	-87.67	434.11	10.91	-76.76
CC[N@H+](C)C(C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)C1=CC=CC=C1	REAL300003546338	1	50	0.0	-85.14	399.09	10.63	-74.51
CC[N@@H+](C)C(C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)C1=CC=CC=C1	REAL300003546338	1	50	0.0	-96.04	405.51	11.02	-85.02
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546350	1	45	0.0	-93.07	378.92	9.61	-83.46
C[NH+](C)CC1(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CC1	REAL300003546362	0	44	0.0	-91.56	365.42	8.67	-82.89
C[NH+](C)CCCCC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546367	0	46	0.0	-88.17	377.47	8.83	-79.34
CC(C)C(C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)[NH+](C)C	REAL300003546376	0	46	0.0	-84.76	359.45	8.86	-75.90
O=C([O-])C1=NN(C2=CC=C(NC(=O)C3=NOC(C[NH+]4CCCC4)=C3)C=C2F)C=C1	REAL300003546390	1	47	0.0	-88.92	395.54	8.80	-80.12
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=C1	REAL300003546391	0	50	0.0	-91.34	412.47	11.04	-80.30
CCC[N@H+](C)CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546405	0	43	0.0	-89.60	351.34	8.11	-81.49
CCC[N@@H+](C)CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546405	1	43	0.0	-88.71	351.06	8.13	-80.58
C[N@H+](CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)C1CCC1	REAL300003546425	0	44	0.0	-87.06	358.21	8.68	-78.38
C[N@@H+](CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)C1CCC1	REAL300003546425	1	44	0.0	-86.41	358.07	8.71	-77.70
C[N@H+](CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)CC(C)(C)C	REAL300003546442	0	49	0.0	-89.46	380.81	9.13	-80.33
C[N@@H+](CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)CC(C)(C)C	REAL300003546442	1	49	0.0	-88.18	382.24	9.27	-78.91
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546444	0	50	0.0	-100.17	412.42	11.32	-88.85
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546444	1	50	0.0	-93.49	411.25	11.13	-82.36
CC[C@@H](C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)[NH+](C)C	REAL300003546447	0	43	0.0	-84.62	341.97	7.72	-76.90
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003546449	0	48	0.0	-82.31	372.52	6.77	-75.54
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003546449	1	48	0.0	-92.36	383.57	7.14	-85.22
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546469	0	52	0.0	-90.90	415.83	10.46	-80.44
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546469	1	52	0.0	-90.01	415.56	10.47	-79.54
O=C([O-])C1=NN(C2=CC=C(NC(=O)C34CCC[NH+]3CCC4)C=C2F)C=C1	REAL300003546478	0	45	0.0	-86.61	356.38	8.64	-77.97
O=C([O-])C1=NN(C2=CC=C(NC(=O)C3=CC4=C[NH+]=CN4C=C3)C=C2F)C=C1	REAL300003546486	1	39	0.0	-95.50	343.73	10.39	-85.11
C[N@H+](CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)C1CCSC1	REAL300003546496	1	45	0.0	-95.36	371.60	8.93	-86.43
C[N@@H+](CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)C1CCSC1	REAL300003546496	1	45	0.0	-100.91	372.55	9.12	-91.79
O=C([O-])C1=NN(C2=CC=C(NC(=O)C3CCCC4CCC[N@@H+]43)C=C2F)C=C1	REAL300003546511	0	48	0.0	-94.53	369.59	9.43	-85.10
O=C([O-])C1=NN(C2=CC=C(NC(=O)C3CCCC4CCC[N@H+]43)C=C2F)C=C1	REAL300003546511	1	48	0.0	-87.35	377.92	9.71	-77.64
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C=N1	REAL300003546512	0	47	0.0	-97.31	397.34	8.38	-88.93
CCCC(C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)[NH+](C)C	REAL300003546537	0	46	0.0	-87.05	362.75	8.47	-78.58
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=N1	REAL300003546549	0	47	0.0	-93.69	396.82	8.22	-85.47
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546550	0	47	0.0	-89.99	381.17	8.55	-81.44
C[C@@H]1[C@H](C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CC[N@@H+]1C	REAL300003546553	0	44	0.0	-98.56	350.96	8.06	-90.50
C[C@@H]1[C@H](C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CC[N@H+]1C	REAL300003546553	1	44	0.0	-86.63	354.19	8.06	-78.57
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546555	1	48	0.0	-92.60	398.95	10.11	-82.49
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CC[N@@H+]1C	REAL300003546558	0	47	0.0	-88.79	368.81	8.37	-80.42
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CC[N@H+]1C	REAL300003546558	1	47	0.0	-86.75	374.13	8.73	-78.02
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=NN1	REAL300003546560	1	48	0.0	-95.85	398.80	7.96	-87.89
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=NN1	REAL300003546560	1	48	0.0	-89.11	398.34	7.76	-81.35
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)O1	REAL300003546565	1	45	0.0	-110.13	364.58	7.96	-102.17
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)O1	REAL300003546565	1	45	0.0	-100.67	362.90	7.37	-93.30
O=C([O-])C1=NN(C2=CC=C(NC(=O)C[NH+]3CCCC3)C=C2F)C=C1	REAL300003546571	1	41	0.0	-94.93	338.76	8.02	-86.91
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546573	1	39	0.0	-84.31	341.54	8.32	-75.99
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546575	1	48	0.0	-100.22	384.12	7.60	-92.62
CC1CC[NH+](CC(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CC1	REAL300003546594	1	47	0.0	-100.52	375.56	9.38	-91.14
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003546605	1	45	0.0	-111.20	368.09	7.90	-103.30
CC[N@H+]1CCOC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003546605	1	45	0.0	-92.36	360.20	7.54	-84.82
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546638	0	47	0.0	-88.60	379.24	9.21	-79.39
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546638	1	47	0.0	-84.74	374.08	8.72	-76.02
O=C([O-])C1=NN(C2=CC=C(NC(=O)C34CCC[NH+](CCC3)C4)C=C2F)C=C1	REAL300003546647	0	48	0.0	-86.55	369.29	8.89	-77.66
C[N@@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546649	1	45	0.0	-94.78	361.19	5.01	-89.77
C[N@H+]1CC(O)CC1(C)C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546649	1	45	0.0	-96.97	358.74	4.66	-92.31
O=C([O-])C1=NN(C2=CC=C(NC(=O)C3CCC4CCCC[N@@H+]43)C=C2F)C=C1	REAL300003546650	0	48	0.0	-83.53	373.62	9.21	-74.32
O=C([O-])C1=NN(C2=CC=C(NC(=O)C3CCC4CCCC[N@H+]43)C=C2F)C=C1	REAL300003546650	1	48	0.0	-93.28	381.06	9.81	-83.47
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546654	0	51	0.0	-97.00	393.73	7.92	-89.08
CC[NH+](CC)CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546668	0	43	0.0	-87.57	343.63	7.77	-79.80
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CC1	REAL300003546670	0	50	0.0	-93.13	391.70	9.73	-83.40
O=C([O-])C1=NN(C2=CC=C(NC(=O)C34CC[NH+](CC3)C4)C=C2F)C=C1	REAL300003546743	0	42	0.0	-89.47	343.73	7.21	-82.26
CCC(C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)[NH+](C)C	REAL300003546746	0	43	0.0	-85.00	340.67	7.76	-77.24
O=C([O-])C1=NN(C2=CC=C(NC(=O)C34CC[N@H+](C3)CCC4)C=C2F)C=C1	REAL300003546754	0	45	0.0	-99.20	354.61	8.09	-91.11
O=C([O-])C1=NN(C2=CC=C(NC(=O)C34CC[N@@H+](C3)CCC4)C=C2F)C=C1	REAL300003546754	1	45	0.0	-108.00	353.76	8.20	-99.80
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546789	0	47	0.0	-90.96	370.54	8.75	-82.21
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300003546790	0	47	0.0	-93.45	391.49	10.35	-83.10
C[NH+](C)C1(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CCC1	REAL300003546819	0	44	0.0	-89.91	342.95	8.19	-81.72
C#CC[NH+]1CCC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CC1	REAL300003546840	0	46	0.0	-96.39	382.06	9.69	-86.70
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546841	0	50	0.0	-89.18	394.21	9.87	-79.31
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546841	1	50	0.0	-85.63	383.76	9.51	-76.12
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546842	0	47	0.0	-77.27	383.04	10.41	-66.86
CC[NH+]1CCN(CCC(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CC1	REAL300003546844	0	52	0.0	-99.08	410.43	7.41	-91.67
CCN1CC[NH+](CCC(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CC1	REAL300003546844	1	52	0.0	-101.03	411.10	7.50	-93.53
CC(C)[N@H+](C)CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546845	0	43	0.0	-86.81	346.53	7.89	-78.92
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546845	1	43	0.0	-85.76	346.26	7.90	-77.86
CC(C)C(C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)[NH+]1CCCCC1	REAL300003546846	0	53	0.0	-88.31	399.87	10.25	-78.06
C[NH+](C)C(C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)C1=CC=CC=C1	REAL300003546847	1	47	0.0	-86.59	386.83	10.18	-76.41
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546852	1	48	0.0	-92.20	398.40	10.04	-82.16
O=C([O-])C1=NN(C2=CC=C(NC(=O)C3CCC[N@@H+]3C3CCCC3)C=C2F)C=C1	REAL300003546857	0	51	0.0	-92.32	389.69	9.99	-82.33
O=C([O-])C1=NN(C2=CC=C(NC(=O)C3CCC[N@H+]3C3CCCC3)C=C2F)C=C1	REAL300003546857	1	51	0.0	-90.39	398.37	10.27	-80.12
CC[N@H+](CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)C1CC1	REAL300003546859	0	44	0.0	-95.55	361.58	8.92	-86.63
CC[N@@H+](CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)C1CC1	REAL300003546859	1	44	0.0	-90.88	357.93	8.64	-82.24
CC(C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)[NH+]1CCCCCC1	REAL300003546874	0	50	0.0	-90.32	382.20	9.34	-80.98
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546877	1	41	0.0	-84.25	338.08	7.72	-76.53
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546877	1	41	0.0	-98.99	333.39	7.43	-91.56
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546930	0	43	0.0	-88.23	351.06	6.43	-81.80
O=C([O-])C1=NN(C2=CC=C(NC(=O)CCCC[NH+]3CCCC3)C=C2F)C=C1	REAL300003546931	0	50	0.0	-97.90	404.32	10.20	-87.70
C[N@H+](CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)CC1=CC=CC=C1	REAL300003546933	1	47	0.0	-105.01	389.65	10.49	-94.52
C[N@@H+](CC(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)CC1=CC=CC=C1	REAL300003546933	1	47	0.0	-93.67	388.55	10.30	-83.37
CC(C)[C@@H](C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1)[NH+](C)C	REAL300003546941	0	46	0.0	-87.70	363.11	8.37	-79.33
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=NO1	REAL300003546973	1	43	0.0	-90.20	370.20	7.66	-82.54
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546984	0	47	0.0	-81.94	374.17	8.89	-73.05
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003546984	1	47	0.0	-93.90	371.97	8.99	-84.91
C[NH+]1CCC(OCC(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CC1	REAL300003547001	0	48	0.0	-92.11	392.06	8.71	-83.40
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003547126	0	50	0.0	-92.37	397.29	9.89	-82.48
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003547126	1	50	0.0	-97.21	396.96	9.91	-87.30
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003547146	0	50	0.0	-87.67	385.92	9.77	-77.90
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(N2C=CC(C(=O)[O-])=N2)C(F)=C1	REAL300003547146	1	50	0.0	-90.60	397.65	10.10	-80.50
O=C([O-])C1=NN(C2=CC=C(NC(=O)C[NH+]3CCC(CO)CC3)C=C2F)C=C1	REAL300003547147	1	48	0.0	-100.97	386.97	6.06	-94.91
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003547311	0	50	0.0	-80.50	384.69	9.71	-70.79
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003547311	1	50	0.0	-87.01	385.70	9.85	-77.16
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)N1	REAL300003547330	1	45	0.0	-82.78	382.35	7.98	-74.80
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)=C1	REAL300003547665	0	50	0.0	-86.27	412.49	11.03	-75.24
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003547771	0	44	0.0	-98.98	362.53	8.61	-90.37
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)CC1	REAL300003547775	0	50	0.0	-93.63	385.52	9.58	-84.05
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003547827	0	53	0.0	-88.02	405.21	10.78	-77.24
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003547827	1	53	0.0	-88.02	405.21	10.78	-77.24
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003547828	0	47	0.0	-90.51	369.19	9.38	-81.13
CC[N@H+]1CCCC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003547828	1	47	0.0	-90.51	369.19	9.38	-81.13
C[N@@H+]1CCCC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003547833	0	44	0.0	-87.83	356.65	8.32	-79.51
C[N@H+]1CCCC(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003547833	1	44	0.0	-87.83	356.65	8.32	-79.51
CN(C)CC1=CC=C(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)O1	REAL300003547835	0	44	0.0	-90.21	376.70	8.50	-81.71
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)O1	REAL300003547835	1	44	0.0	-90.21	376.70	8.50	-81.71
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003547841	0	53	0.0	-86.50	402.18	9.82	-76.68
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(N3C=CC(C(=O)[O-])=N3)C(F)=C2)C1	REAL300003547841	1	53	0.0	-86.50	402.18	9.82	-76.68
O=C([O-])C1=NN(C2=CC=C(NC(=O)C34CC(C3)CN4C3CC3)C=C2F)C=C1	REAL300003547844	0	46	0.0	-83.46	370.48	9.41	-74.05
O=C([O-])C1=NN(C2=CC=C(NC(=O)C34CC(C3)C[N@@H+]4C3CC3)C=C2F)C=C1	REAL300003547844	1	46	0.0	-89.61	368.72	9.69	-79.92
O=C([O-])C1=NN(C2=CC=C(NC(=O)C34CC(C3)C[N@H+]4C3CC3)C=C2F)C=C1	REAL300003547844	1	46	0.0	-89.61	368.72	9.69	-79.92
CSC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003547875	0	44	0.0	-45.21	328.50	8.06	-37.15
CSC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003547875	1	44	0.0	-45.21	328.50	8.06	-37.15
CC1=NC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300003547969	0	42	0.0	-49.29	336.29	6.20	-43.09
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)N=N1	REAL300003548743	0	53	0.0	-71.62	413.30	8.79	-62.83
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C3CCC[N@@H+]3C3CC3)CC2)N=N1	REAL300003548757	0	50	0.0	-71.70	387.66	7.98	-63.72
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2)N=N1	REAL300003548757	1	50	0.0	-65.52	387.74	7.95	-57.57
C[NH+](C)CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003548791	0	42	0.0	-71.74	339.55	5.80	-65.94
C[N@@H+]1CCCCC1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003548792	0	49	0.0	-65.77	379.82	7.41	-58.36
C[N@H+]1CCCCC1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003548792	1	49	0.0	-71.83	372.18	7.04	-64.79
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003548811	0	49	0.0	-70.97	374.31	7.22	-63.75
C[N@H+]1CCCC[C@H]1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003548811	1	49	0.0	-73.10	363.95	6.74	-66.36
C[NH+]1CCC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)CC1	REAL300003548829	0	49	0.0	-80.64	377.68	7.23	-73.41
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)N=N1	REAL300003548847	0	44	0.0	-78.90	363.91	8.87	-70.03
C[N@@H+]1CCCC1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003548872	0	46	0.0	-68.37	364.39	6.70	-61.67
C[N@H+]1CCCC1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003548872	1	46	0.0	-74.83	359.78	6.64	-68.19
C[NH+]1CCC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)CC1	REAL300003548901	0	49	0.0	-80.64	377.68	7.23	-73.41
CC1=[NH+]C=CN1CCCC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003548923	1	50	0.0	-68.36	410.52	8.76	-59.60
C[C@@H](C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1)[NH+](C)C	REAL300003548927	0	45	0.0	-76.76	350.65	6.05	-70.71
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003548928	0	46	0.0	-76.15	353.71	6.23	-69.92
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003548928	1	46	0.0	-68.00	361.27	6.64	-61.36
C[C@H](C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1)[NH+](C)C	REAL300003548932	0	45	0.0	-69.93	355.69	6.15	-63.78
C[NH+](C)C1(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)CC1	REAL300003548940	0	46	0.0	-68.80	358.56	6.27	-62.53
CCC(C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1)[NH+](CC)CC	REAL300003548987	0	54	0.0	-70.42	396.73	7.82	-62.60
C[N@@H+]1CCOC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)C1	REAL300003548998	1	47	0.0	-76.52	365.47	5.89	-70.63
C[N@H+]1CCOC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)C1	REAL300003548998	1	47	0.0	-76.37	365.44	5.87	-70.50
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549004	1	50	0.0	-73.27	400.44	8.44	-64.83
C[NH+](C)CC1(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)CC1	REAL300003549011	0	49	0.0	-74.54	384.35	7.21	-67.33
C[NH+](C)CCCCC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549015	0	51	0.0	-73.13	404.89	7.99	-65.14
CC(C)C(C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1)[NH+](C)C	REAL300003549024	0	51	0.0	-77.93	374.08	7.36	-70.57
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549036	1	48	0.0	-63.43	391.59	6.39	-57.04
CCC[N@H+](C)CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549040	0	48	0.0	-71.11	378.78	7.23	-63.88
CCC[N@@H+](C)CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549040	1	48	0.0	-78.88	373.83	7.11	-71.77
C[N@H+](CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1)C1CCC1	REAL300003549052	0	49	0.0	-76.11	380.82	7.69	-68.42
C[N@@H+](CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1)C1CCC1	REAL300003549052	1	49	0.0	-69.04	385.67	7.79	-61.25
C[N@H+](CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1)CC(C)(C)C	REAL300003549062	0	54	0.0	-70.88	407.37	8.21	-62.67
C[N@@H+](CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1)CC(C)(C)C	REAL300003549062	1	54	0.0	-78.57	404.41	8.25	-70.32
CC[C@@H](C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1)[NH+](C)C	REAL300003549064	0	48	0.0	-73.42	358.97	6.51	-66.91
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)N=N1	REAL300003549088	0	50	0.0	-71.23	370.58	7.27	-63.96
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2)N=N1	REAL300003549094	1	44	0.0	-81.74	369.24	9.07	-72.67
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C3CCCC4CCC[N@@H+]43)CC2)N=N1	REAL300003549109	0	53	0.0	-71.02	399.20	8.42	-62.60
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C3CCCC4CCC[N@H+]43)CC2)N=N1	REAL300003549109	1	53	0.0	-72.55	398.90	8.38	-64.17
CCCC(C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1)[NH+](C)C	REAL300003549122	0	51	0.0	-75.87	385.85	7.49	-68.38
C[C@@H]1[C@H](C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)CC[N@@H+]1C	REAL300003549129	0	49	0.0	-81.21	370.31	6.69	-74.52
C[C@@H]1[C@H](C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)CC[N@H+]1C	REAL300003549129	1	49	0.0	-70.01	377.08	7.33	-62.68
CC[C@@H]1[C@@H](C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)CC[N@@H+]1C	REAL300003549132	0	52	0.0	-79.76	391.81	7.31	-72.45
CC[C@@H]1[C@@H](C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)CC[N@H+]1C	REAL300003549132	1	52	0.0	-71.09	397.04	7.80	-63.29
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549134	1	48	0.0	-65.80	384.58	7.57	-58.23
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549134	1	48	0.0	-74.15	386.80	7.90	-66.25
CC1C[N@H+](C)CC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)O1	REAL300003549137	1	50	0.0	-82.75	393.54	6.78	-75.97
CC1C[N@@H+](C)CC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)O1	REAL300003549137	1	50	0.0	-83.21	386.31	6.37	-76.84
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C[NH+]3CCCC3)CC2)N=N1	REAL300003549141	0	46	0.0	-77.83	358.76	6.82	-71.01
CC1=[NH+]C=CN1CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549143	1	44	0.0	-74.39	363.02	7.27	-67.12
CC1CC[NH+](CC(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)CC1	REAL300003549159	0	52	0.0	-78.99	397.18	8.19	-70.80
CC[N@@H+]1CCOC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)C1	REAL300003549163	1	50	0.0	-80.80	391.06	6.73	-74.07
CC[N@H+]1CCOC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)C1	REAL300003549163	1	50	0.0	-80.53	385.18	6.60	-73.93
C[N@@H+]1CCCC1CCC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549175	0	52	0.0	-78.29	402.02	8.25	-70.04
C[N@H+]1CCCC1CCC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549175	1	52	0.0	-78.27	396.55	7.78	-70.49
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)N=N1	REAL300003549180	0	53	0.0	-89.43	382.17	7.39	-82.04
C[N@@H+]1CC(O)CC1(C)C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549181	0	50	0.0	-73.58	372.28	2.68	-70.90
C[N@H+]1CC(O)CC1(C)C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549181	1	50	0.0	-72.69	372.73	2.73	-69.96
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C3CCC4CCCC[N@@H+]43)CC2)N=N1	REAL300003549182	0	53	0.0	-72.53	398.84	8.47	-64.06
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C3CCC4CCCC[N@H+]43)CC2)N=N1	REAL300003549182	1	53	0.0	-64.84	403.60	8.55	-56.29
CC[NH+](CC)CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549189	0	48	0.0	-68.78	375.51	7.17	-61.61
CC(C)[NH+]1CCC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)CC1	REAL300003549190	0	55	0.0	-77.96	412.00	8.42	-69.54
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)N=N1	REAL300003549224	0	47	0.0	-73.36	363.73	6.08	-67.28
CCC(C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1)[NH+](C)C	REAL300003549227	0	48	0.0	-74.89	364.57	6.71	-68.18
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2)N=N1	REAL300003549230	0	50	0.0	-70.93	373.58	6.67	-64.26
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2)N=N1	REAL300003549230	1	50	0.0	-70.84	373.50	6.70	-64.14
CC1CCC(C)[NH+]1CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549251	0	52	0.0	-67.29	396.67	7.82	-59.47
C[NH+](C)C1(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)CCC1	REAL300003549270	0	49	0.0	-73.37	358.98	6.58	-66.79
C#CC[NH+]1CCC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)CC1	REAL300003549281	0	51	0.0	-82.84	402.87	8.44	-74.40
CCC[N@@H+]1CCCCC1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549282	0	55	0.0	-74.72	403.30	8.21	-66.51
CCC[N@H+]1CCCCC1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549282	1	55	0.0	-71.92	413.35	8.61	-63.31
CC(C)[N@H+](C)CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549283	0	48	0.0	-68.35	373.97	7.00	-61.35
CC(C)[N@@H+](C)CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549283	1	48	0.0	-76.37	369.02	6.90	-69.47
CC[N@H+](CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1)C1CC1	REAL300003549292	0	49	0.0	-74.63	383.20	7.74	-66.89
CC[N@@H+](CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1)C1CC1	REAL300003549292	1	49	0.0	-69.35	381.12	7.40	-61.95
CC(C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1)[NH+]1CCCCCC1	REAL300003549300	0	55	0.0	-72.42	402.34	8.15	-64.27
C[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549302	0	46	0.0	-66.16	364.11	6.66	-59.50
C[N@H+]1CCC[C@H]1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549302	1	46	0.0	-78.06	353.03	6.23	-71.83
CC(C)(C)[NH2+]CC(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549335	0	48	0.0	-70.10	378.50	5.54	-64.56
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)N=N1	REAL300003549336	0	55	0.0	-71.97	430.14	9.12	-62.85
CC(C)[C@@H](C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1)[NH+](C)C	REAL300003549343	0	51	0.0	-70.42	381.06	7.46	-62.96
C[NH+](C)CC1=CC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)=NO1	REAL300003549362	1	48	0.0	-83.57	390.63	7.01	-76.56
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549369	0	52	0.0	-73.93	381.43	7.89	-66.04
CC(C)[N@H+]1CCCC1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549369	1	52	0.0	-65.96	394.04	7.71	-58.25
CCC[N@@H+]1CCCC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)C1	REAL300003549444	0	55	0.0	-79.53	417.86	8.66	-70.87
CCC[N@H+]1CCCC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)C1	REAL300003549444	1	55	0.0	-71.39	422.85	8.74	-62.65
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549456	0	55	0.0	-75.16	412.48	8.32	-66.84
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(N2N=NC(C(=O)[O-])=C2C(F)F)CC1	REAL300003549456	1	55	0.0	-66.95	420.72	8.81	-58.14
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)C1	REAL300003549538	0	55	0.0	-69.71	403.74	8.51	-61.20
CC(C)[N@H+]1CCCC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)C1	REAL300003549538	1	55	0.0	-64.21	407.05	8.35	-55.86
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)N1	REAL300003549549	1	50	0.0	-73.58	405.81	7.07	-66.51
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)C1	REAL300003549789	0	49	0.0	-75.44	383.60	7.42	-68.02
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)CC1	REAL300003549793	0	55	0.0	-75.01	403.19	8.15	-66.86
CC[N@@H+]1CCCC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)C1	REAL300003549817	0	52	0.0	-65.09	392.21	8.06	-57.03
CC[N@H+]1CCCC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)C1	REAL300003549817	1	52	0.0	-65.09	392.21	8.06	-57.03
C[N@@H+]1CCCC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)C1	REAL300003549821	0	49	0.0	-71.92	369.47	7.34	-64.58
C[N@H+]1CCCC(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)C1	REAL300003549821	1	49	0.0	-71.92	369.47	7.34	-64.58
CN(C)CC1=CC=C(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)O1	REAL300003549823	0	49	0.0	-77.64	401.22	7.68	-69.96
C[NH+](C)CC1=CC=C(C(=O)N2CCC(N3N=NC(C(=O)[O-])=C3C(F)F)CC2)O1	REAL300003549823	1	49	0.0	-77.64	401.22	7.68	-69.96
O=C([O-])C1=C(C(F)F)N(C2CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CC2)N=N1	REAL300003549826	0	51	0.0	-64.93	390.19	8.61	-56.32
CC1(C)C(C2=CC=C(F)C=C2)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003549897	0	53	0.0	-50.89	386.46	11.37	-39.52
CC1(C)C(C2=CC=C(F)C=C2)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003549897	1	53	0.0	-50.89	386.46	11.37	-39.52
CC(CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300003550005	0	55	0.0	-46.47	381.30	10.76	-35.71
CC(CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300003550005	1	55	0.0	-42.95	380.25	10.31	-32.64
CC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C(C)N1C1=CC(C)=CC=C1	REAL300003550122	0	57	0.0	-46.99	435.36	11.92	-35.07
CC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C(C)N1C1=CC(C)=CC=C1	REAL300003550122	1	57	0.0	-48.37	441.57	11.95	-36.42
CCC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300003550231	0	49	0.0	-47.50	359.21	9.17	-38.33
CCC(C)(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300003550231	1	49	0.0	-47.63	360.04	9.67	-37.96
CC1=C(C)C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CS1	REAL300003550358	0	43	0.0	-46.20	338.05	7.70	-38.50
CC1=C(C)C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CS1	REAL300003550358	1	43	0.0	-48.11	345.64	7.79	-40.32
CC1(C)CCC2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2O1	REAL300003550468	1	51	0.0	-47.15	379.73	9.26	-37.89
CC1(C)CCC2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2O1	REAL300003550468	1	51	0.0	-47.00	373.43	9.29	-37.71
CC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C(C)N1C1=CC=CC=C1	REAL300003550598	0	54	0.0	-47.31	417.25	11.38	-35.93
CC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C(C)N1C1=CC=CC=C1	REAL300003550598	1	54	0.0	-48.57	424.41	11.44	-37.13
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C2=CC=CC=C12	REAL300003551720	0	53	0.0	-94.74	408.43	12.99	-81.75
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C2=CC=CC=C12	REAL300003552332	0	50	0.0	-82.66	385.33	11.89	-70.77
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C2=CC=CC=C12	REAL300003552332	1	50	0.0	-83.85	390.21	12.33	-71.52
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C2=CC=CC=C12	REAL300003553214	0	47	0.0	-87.54	356.27	10.60	-76.94
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COC1CN(C(=O)C2CC[NH+](C3CC3)CC2)C(C)(C(=O)[O-])C1	REAL300003558317	0	48	0.0	-76.28	354.29	8.21	-68.07
COC1CN(C(=O)C2CCC3=C[NH+]=C(C)N3C2)C(C)(C(=O)[O-])C1	REAL300003558342	1	46	0.0	-67.28	348.98	7.76	-59.52
COC1CN(C(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)C(C)(C(=O)[O-])C1	REAL300003558403	1	53	0.0	-78.39	414.35	8.53	-69.86
COC1CN(C(=O)C(C)N2CC[NH+](C)CC2)C(C)(C(=O)[O-])C1	REAL300003558404	1	49	0.0	-74.94	361.75	5.07	-69.87
COC1CN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C(C)(C(=O)[O-])C1	REAL300003558474	0	57	0.0	-85.23	440.35	10.09	-75.14
COC1CN(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C(C)(C(=O)[O-])C1	REAL300003558479	0	57	0.0	-86.53	437.32	12.09	-74.44
COC1CN(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C(C)(C(=O)[O-])C1	REAL300003558479	1	57	0.0	-87.35	437.27	12.07	-75.28
COC1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C(C)(C(=O)[O-])C1	REAL300003558531	0	39	0.0	-72.08	321.52	8.55	-63.53
COC1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C(=O)[O-])C1	REAL300003558556	0	53	0.0	-83.50	355.46	7.93	-75.57
COC1CN(C(=O)CC[N@H+](C)C2CCCCC2)C(C)(C(=O)[O-])C1	REAL300003558559	0	53	0.0	-72.48	384.68	8.93	-63.55
COC1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C(=O)[O-])C1	REAL300003558559	1	53	0.0	-68.47	384.21	8.98	-59.49
COC1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(C)(C(=O)[O-])C1	REAL300003558620	0	47	0.0	-83.82	370.81	7.30	-76.52
COC1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C(C)(C(=O)[O-])C1	REAL300003558636	0	55	0.0	-85.48	398.23	7.54	-77.94
COC1CN(C(=O)CCCN2C=C[NH+]=C2C)C(C)(C(=O)[O-])C1	REAL300003558664	1	45	0.0	-72.97	357.26	8.23	-64.74
COC1CN(C(=O)CCCC[NH+]2CCOCC2)C(C)(C(=O)[O-])C1	REAL300003558665	1	51	0.0	-76.38	384.07	6.97	-69.41
CC[N@H+](CC1=CC=C(C(=O)N2CC(OC)CC2(C)C(=O)[O-])C=C1)C(C)C	REAL300003558666	0	56	0.0	-84.11	408.51	10.11	-74.00
CC[N@@H+](CC1=CC=C(C(=O)N2CC(OC)CC2(C)C(=O)[O-])C=C1)C(C)C	REAL300003558666	1	56	0.0	-84.32	400.04	9.69	-74.63
COC1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300003558684	0	51	0.0	-73.41	386.29	9.55	-63.86
COC1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300003558684	1	51	0.0	-68.57	388.27	9.71	-58.86
COC1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C(C)(C(=O)[O-])C1	REAL300003558685	0	52	0.0	-82.18	384.68	8.98	-73.20
COC1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C(C)(C(=O)[O-])C1	REAL300003558713	0	55	0.0	-72.97	383.00	7.02	-65.95
CCC(C(=O)N1CC(OC)CC1(C)C(=O)[O-])[NH+](CC)CC	REAL300003558717	0	49	0.0	-59.86	348.32	7.29	-52.57
COC1CN(C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(C)(C(=O)[O-])C1	REAL300003558719	0	50	0.0	-65.60	378.33	9.28	-56.32
COC1CN(C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(C)(C(=O)[O-])C1	REAL300003558719	1	50	0.0	-63.97	379.70	9.27	-54.70
COC1CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300003558727	0	57	0.0	-72.28	430.11	11.04	-61.24
COC1CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300003558727	1	57	0.0	-59.67	417.56	11.07	-48.60
COC1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C(C)(C(=O)[O-])C1	REAL300003558743	0	46	0.0	-84.21	355.45	6.62	-77.59
CCC[NH+](CCC)CCCC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300003558750	0	55	0.0	-70.54	408.36	9.59	-60.95
COC1CN(C(=O)CN2C=C[NH+]=C2C(C)C)C(C)(C(=O)[O-])C1	REAL300003558758	1	45	0.0	-61.30	350.72	7.97	-53.33
COC1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(C)(C(=O)[O-])C1	REAL300003558771	0	51	0.0	-87.52	385.33	9.64	-77.88
COC1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(C)(C(=O)[O-])C1	REAL300003558776	0	54	0.0	-74.61	401.79	10.22	-64.39
CCN1CCC([NH+]2CCC(C(=O)N3CC(OC)CC3(C)C(=O)[O-])CC2)CC1	REAL300003558782	0	62	0.0	-77.43	435.59	7.81	-69.62
COC1CN(C(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C(C)(C(=O)[O-])C1	REAL300003558789	1	58	0.0	-90.25	435.41	9.38	-80.87
COC1CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C(C)(C(=O)[O-])C1	REAL300003558800	1	55	0.0	-85.80	413.79	9.63	-76.17
COC1CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C(C)(C(=O)[O-])C1	REAL300003558800	1	55	0.0	-85.79	413.82	9.63	-76.16
COC1CN(C(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C(C)(C(=O)[O-])C1	REAL300003558816	1	45	0.0	-86.59	358.12	6.85	-79.74
COC1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(C)(C(=O)[O-])C1	REAL300003558819	0	54	0.0	-88.03	401.78	10.30	-77.73
COC1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(C)(C(=O)[O-])C1	REAL300003558830	1	47	0.0	-79.12	366.25	7.69	-71.43
COC1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(C)(C(=O)[O-])C1	REAL300003558831	0	50	0.0	-90.86	383.02	9.34	-81.52
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300003558836	1	43	0.0	-63.51	335.44	5.73	-57.78
COC1CN(C(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)C(C)(C(=O)[O-])C1	REAL300003558847	0	60	0.0	-64.16	435.02	11.33	-52.83
COC1CN(C(=O)C(C)[NH+]2CCSCC2)C(C)(C(=O)[O-])C1	REAL300003558876	1	45	0.0	-59.06	340.68	6.98	-52.08
COC1CN(C(=O)C[N@H+](C)CC(C)(C)C)C(C)(C(=O)[O-])C1	REAL300003558882	0	49	0.0	-63.39	356.00	7.79	-55.60
COC1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C(=O)[O-])C1	REAL300003558882	1	49	0.0	-61.73	352.63	7.72	-54.01
COC1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C(C)(C(=O)[O-])C1	REAL300003558884	0	50	0.0	-64.08	383.94	9.74	-54.34
COC1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(C)(C(=O)[O-])C1	REAL300003558884	1	50	0.0	-66.81	385.36	9.67	-57.14
COCCOCC[N@H+](C)CCC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300003558885	0	54	0.0	-67.85	413.97	6.00	-61.85
COCCOCC[N@@H+](C)CCC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300003558885	1	54	0.0	-70.77	413.98	5.99	-64.78
COC1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C(C)(C(=O)[O-])C1	REAL300003558888	0	48	0.0	-64.72	356.42	5.36	-59.36
COC1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C(C)(C(=O)[O-])C1	REAL300003558888	1	48	0.0	-58.87	346.02	5.15	-53.72
COC1CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C(C)(C(=O)[O-])C1	REAL300003558895	0	59	0.0	-75.13	439.59	9.47	-65.66
CCCCCC[N@H+](C)CC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300003558897	0	52	0.0	-62.99	388.53	9.05	-53.94
CCCCCC[N@@H+](C)CC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300003558897	1	52	0.0	-65.37	389.94	8.99	-56.38
COC1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C(C)(C(=O)[O-])C1	REAL300003558907	1	39	0.0	-80.35	321.61	8.57	-71.78
COC1CN(C(=O)C[N@H+](C)C2CCSC2)C(C)(C(=O)[O-])C1	REAL300003558923	0	45	0.0	-65.71	345.56	7.48	-58.23
COC1CN(C(=O)C[N@@H+](C)C2CCSC2)C(C)(C(=O)[O-])C1	REAL300003558923	1	45	0.0	-70.35	345.80	7.47	-62.88
COC1CN(C(=O)CCN2CC[NH+](C(C)C)CC2)C(C)(C(=O)[O-])C1	REAL300003558937	0	55	0.0	-79.21	396.43	6.11	-73.10
COC1CN(C(=O)CC[NH+]2CCN(C(C)C)CC2)C(C)(C(=O)[O-])C1	REAL300003558937	1	55	0.0	-67.34	397.47	6.35	-60.99
COC1CN(C(=O)CCCN2CC[NH+](C(C)C)CC2)C(C)(C(=O)[O-])C1	REAL300003558938	0	58	0.0	-71.55	422.65	7.35	-64.20
COC1CN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)C(C)(C(=O)[O-])C1	REAL300003558938	1	58	0.0	-71.39	418.97	7.14	-64.25
COC1CN(C(=O)C2CCCC3CCC[N@@H+]32)C(C)(C(=O)[O-])C1	REAL300003558939	0	48	0.0	-55.51	351.04	7.72	-47.79
COC1CN(C(=O)C2CCCC3CCC[N@H+]32)C(C)(C(=O)[O-])C1	REAL300003558939	1	48	0.0	-61.83	335.53	7.28	-54.55
COC1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C(C)(C(=O)[O-])C1	REAL300003558941	0	47	0.0	-86.33	365.20	6.48	-79.85
COC1CN(C(=O)CC[NH+]2CCN(C3=CC=CC(C)=C3)CC2)C(C)(C(=O)[O-])C1	REAL300003558944	0	59	0.0	-71.39	439.51	9.34	-62.05
COC1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C(C)(C(=O)[O-])C1	REAL300003558946	0	56	0.0	-71.40	418.60	8.71	-62.69
COC1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(C)(C(=O)[O-])C1	REAL300003558948	0	53	0.0	-72.83	401.40	8.67	-64.16
COC1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(C)(C(=O)[O-])C1	REAL300003558948	1	53	0.0	-74.23	397.78	8.42	-65.81
COC1CN(C(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(C)(C(=O)[O-])C1	REAL300003558953	1	51	0.0	-62.65	375.55	9.50	-53.15
COC1CN(C(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(C)(C(=O)[O-])C1	REAL300003558953	1	51	0.0	-64.99	377.05	9.42	-55.57
COC1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300003558976	0	54	0.0	-79.54	411.42	10.52	-69.02
COC1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300003558976	1	54	0.0	-78.49	411.87	10.51	-67.98
COC1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C(C)(C(=O)[O-])C1	REAL300003558989	0	47	0.0	-92.55	367.50	7.13	-85.42
COC1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C(C)(C(=O)[O-])C1	REAL300003558990	0	47	0.0	-66.04	360.36	6.47	-59.57
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(OC)CC1(C)C(=O)[O-]	REAL300003558991	1	48	0.0	-63.97	371.75	8.52	-55.45
COC1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C(C)(C(=O)[O-])C1	REAL300003558996	1	48	0.0	-82.16	362.99	6.19	-75.97
COC1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C(C)(C(=O)[O-])C1	REAL300003558996	1	48	0.0	-82.74	368.56	6.68	-76.06
COC1CN(C(=O)C2C[N@H+](C)CC(C)O2)C(C)(C(=O)[O-])C1	REAL300003559001	1	45	0.0	-81.74	338.84	6.06	-75.68
COC1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C(C)(C(=O)[O-])C1	REAL300003559001	1	45	0.0	-89.75	334.22	6.09	-83.66
COC1CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C(C)(C(=O)[O-])C1	REAL300003559005	0	54	0.0	-69.62	401.42	10.28	-59.34
COC1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C(C)(C(=O)[O-])C1	REAL300003559005	1	54	0.0	-65.05	403.06	10.28	-54.77
COC1CN(C(=O)C(C)C[NH+]2CCOCC2)C(C)(C(=O)[O-])C1	REAL300003559010	1	48	0.0	-68.94	358.25	5.73	-63.21
COC1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C(C)(C(=O)[O-])C1	REAL300003559011	0	55	0.0	-71.77	416.33	8.13	-63.64
CC[N@@H+]1CCOC(C(=O)N2CC(OC)CC2(C)C(=O)[O-])C1	REAL300003559030	1	45	0.0	-56.83	328.87	5.72	-51.11
CC[N@H+]1CCOC(C(=O)N2CC(OC)CC2(C)C(=O)[O-])C1	REAL300003559030	1	45	0.0	-81.24	336.34	5.93	-75.31
COC1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C(C)(C(=O)[O-])C1	REAL300003559056	0	54	0.0	-70.80	389.22	9.13	-61.67
COC1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C(C)(C(=O)[O-])C1	REAL300003559056	1	54	0.0	-66.31	388.01	9.12	-57.19
COC1CN(C(=O)C2CCC3CCCC[N@@H+]32)C(C)(C(=O)[O-])C1	REAL300003559072	0	48	0.0	-57.45	351.75	8.13	-49.32
COC1CN(C(=O)C2CCC3CCCC[N@H+]32)C(C)(C(=O)[O-])C1	REAL300003559072	1	48	0.0	-58.49	348.78	8.01	-50.48
COC1CN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C(C)(C(=O)[O-])C1	REAL300003559086	0	56	0.0	-82.11	419.57	7.62	-74.49
COC1CN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C(C)(C(=O)[O-])C1	REAL300003559087	0	56	0.0	-83.49	418.03	7.78	-75.71
COC1CN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C(C)(C(=O)[O-])C1	REAL300003559087	1	56	0.0	-88.63	418.61	7.80	-80.83
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(OC)CC2(C)C(=O)[O-])C=C1	REAL300003559088	0	57	0.0	-86.51	425.45	9.63	-76.88
COC1CN(C(=O)C2CC[NH+](C(C)C)CC2)C(C)(C(=O)[O-])C1	REAL300003559095	0	50	0.0	-75.38	360.73	7.84	-67.54
COC1CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C(C)(C(=O)[O-])C1	REAL300003559185	0	58	0.0	-92.03	433.77	7.65	-84.38
COC1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C(C)(C(=O)[O-])C1	REAL300003559189	0	47	0.0	-84.59	360.61	8.49	-76.10
COC1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300003559190	0	54	0.0	-65.97	407.65	10.17	-55.80
COC1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(C)(C(=O)[O-])C1	REAL300003559190	1	54	0.0	-62.99	396.33	10.34	-52.65
C#CC[NH+]1CCC(C(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300003559238	0	46	0.0	-80.22	351.59	7.86	-72.36
CC[NH+]1CCN(CCC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300003559241	0	52	0.0	-80.60	383.64	5.83	-74.77
CCN1CC[NH+](CCC(=O)N2CC(OC)CC2(C)C(=O)[O-])CC1	REAL300003559241	1	52	0.0	-67.46	384.41	6.03	-61.43
COC1CN(C(=O)CCN2C=C[NH+]=C2C(C)C)C(C)(C(=O)[O-])C1	REAL300003559248	1	48	0.0	-62.89	371.24	8.53	-54.36
COC1CN(C(=O)C(C)[NH+]2CCCCCC2)C(C)(C(=O)[O-])C1	REAL300003559276	0	50	0.0	-58.45	351.54	7.78	-50.67
COC1CN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C(C)(C(=O)[O-])C1	REAL300003559307	1	52	0.0	-91.77	396.31	8.90	-82.87
COC1CN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C(C)(C(=O)[O-])C1	REAL300003559307	1	52	0.0	-88.22	396.58	8.89	-79.33
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(OC)CC2(C)C(=O)[O-])O1	REAL300003559351	0	50	0.0	-80.47	378.32	8.33	-72.14
COC1CN(C(=O)CCCC[NH+]2CCCC2)C(C)(C(=O)[O-])C1	REAL300003559352	0	50	0.0	-73.50	377.13	8.69	-64.81
COC1CN(C(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)C(C)(C(=O)[O-])C1	REAL300003559354	1	53	0.0	-76.09	400.53	8.07	-68.02
COC1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C(C)(C(=O)[O-])C1	REAL300003559355	1	47	0.0	-64.58	362.40	8.86	-55.72
COC1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C(C)(C(=O)[O-])C1	REAL300003559355	1	47	0.0	-65.43	361.45	8.89	-56.54
COC1CN(C(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)C(C)(C(=O)[O-])C1	REAL300003559359	0	59	0.0	-89.97	428.56	8.86	-81.11
COC1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C(C)(C(=O)[O-])C1	REAL300003559371	1	42	0.0	-83.44	340.18	6.43	-77.01
COC1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C(C)(C(=O)[O-])C1	REAL300003559393	1	43	0.0	-84.88	342.47	6.56	-78.32
COC1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C(C)(C(=O)[O-])C1	REAL300003559398	0	54	0.0	-73.26	407.94	10.25	-63.01
COC1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C(C)(C(=O)[O-])C1	REAL300003559398	1	54	0.0	-72.67	400.94	10.15	-62.52
COC1CN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C(C)(C(=O)[O-])C1	REAL300003559421	0	55	0.0	-89.53	427.83	9.77	-79.76
COC1CN(C(=O)COC2CC[NH+](C)CC2)C(C)(C(=O)[O-])C1	REAL300003559433	0	48	0.0	-84.77	366.24	7.18	-77.59
COC1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(C)(C(=O)[O-])C1	REAL300003559439	0	51	0.0	-81.40	388.89	9.11	-72.29
CCC[N@@H+]1CCCC(C(=O)N2CC(OC)CC2(C)C(=O)[O-])C1	REAL300003559575	0	50	0.0	-58.37	357.63	8.04	-50.33
CCC[N@H+]1CCCC(C(=O)N2CC(OC)CC2(C)C(=O)[O-])C1	REAL300003559575	1	50	0.0	-72.45	365.56	8.01	-64.44
COC1CN(C(=O)C[NH+]2CCC(CO)CC2)C(C)(C(=O)[O-])C1	REAL300003559602	0	48	0.0	-68.46	360.40	4.42	-64.04
COC1CN(C(=O)C2CCC[N@@H+](C(C)C)C2)C(C)(C(=O)[O-])C1	REAL300003559773	0	50	0.0	-69.51	365.22	8.08	-61.43
COC1CN(C(=O)C2CCC[N@H+](C(C)C)C2)C(C)(C(=O)[O-])C1	REAL300003559773	1	50	0.0	-69.54	364.27	8.04	-61.50
COC1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C(C)(C(=O)[O-])C1	REAL300003559774	0	44	0.0	-64.02	338.49	6.55	-57.47
COC1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(C)(C(=O)[O-])C1	REAL300003559774	1	44	0.0	-77.44	345.43	6.85	-70.59
COC1CN(C(=O)CCC2=[NH+]C(C)=C(C)N2)C(C)(C(=O)[O-])C1	REAL300003559798	1	45	0.0	-63.25	356.04	6.66	-56.59
COC1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(C)(C(=O)[O-])C1	REAL300003560182	0	50	0.0	-86.47	383.10	9.32	-77.15
COC1CN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(C)(C(=O)[O-])C1	REAL300003560189	0	51	0.0	-87.95	390.09	8.30	-79.65
COC1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C(C)(C(=O)[O-])C1	REAL300003560271	0	57	0.0	-70.54	426.00	11.20	-59.34
COC1CN(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C(C)(C(=O)[O-])C1	REAL300003560273	1	55	0.0	-87.50	408.34	8.39	-79.11
COC1CN(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C(C)(C(=O)[O-])C1	REAL300003560273	1	55	0.0	-54.69	397.32	7.51	-47.18
COC1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(C)(C(=O)[O-])C1	REAL300003560301	0	50	0.0	-57.79	351.76	7.52	-50.27
COC1CN(C(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C(C)(C(=O)[O-])C1	REAL300003560306	0	42	0.0	-72.55	342.25	8.43	-64.12
COC1CN(C(=O)C2CCC[N@H+](CC(C)C)C2)C(C)(C(=O)[O-])C1	REAL300003560355	0	53	0.0	-66.12	386.07	8.80	-57.32
COC1CN(C(=O)C2CCC[N@@H+](CC(C)C)C2)C(C)(C(=O)[O-])C1	REAL300003560355	1	53	0.0	-69.35	387.51	9.00	-60.35
COC1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C(C)(C(=O)[O-])C1	REAL300003560361	1	44	0.0	-83.22	347.32	7.23	-75.99
COC1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C(C)(C(=O)[O-])C1	REAL300003560369	0	46	0.0	-66.09	339.29	7.65	-58.44
COC1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C(C)(C(=O)[O-])C1	REAL300003560369	1	46	0.0	-71.01	343.50	7.70	-63.31
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(CC3=CC=CC=C3)C=CCCC2)C1	REAL300003560473	0	57	0.0	-50.51	414.95	11.85	-38.66
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(CC3=CC=CC=C3)C=CCCC2)C1	REAL300003560473	1	57	0.0	-50.24	408.64	11.88	-38.36
CC(C)OC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300003560584	1	47	0.0	-53.43	379.84	8.79	-44.64
CC(C)OC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300003560584	1	47	0.0	-52.86	374.49	8.83	-44.03
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=CC=C3)C3=CC=CC=C32)C1	REAL300003560682	0	54	0.0	-51.34	403.28	13.17	-38.17
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=CC=C3)C3=CC=CC=C32)C1	REAL300003560682	1	54	0.0	-50.68	402.63	13.16	-37.52
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2CCC3=CC(Cl)=CC=C32)C1	REAL300003560793	0	44	0.0	-47.46	347.96	8.71	-38.75
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2CCC3=CC(Cl)=CC=C32)C1	REAL300003560793	1	44	0.0	-47.27	349.78	8.76	-38.51
O=C([O-])C1CCC[N@H+](CC(=O)NC2C3CC4=C(Cl)C=CC=C4C32)C1	REAL300003560918	0	45	0.0	-45.23	356.39	10.11	-35.12
O=C([O-])C1CCC[N@@H+](CC(=O)NC2C3CC4=C(Cl)C=CC=C4C32)C1	REAL300003560918	1	45	0.0	-48.48	359.97	9.44	-39.04
CC(C)[C@@H]1C[C@H](NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300003561222	0	53	0.0	-48.28	391.89	10.22	-38.06
CC(C)[C@@H]1C[C@H](NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300003561222	1	53	0.0	-45.65	385.40	9.82	-35.83
O=C([O-])C(CC1CCCOC1)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003562295	0	57	0.0	-74.57	419.98	10.59	-63.98
O=C([O-])C(CC1CCCOC1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300003563579	0	51	0.0	-70.01	377.24	7.58	-62.43
CC1=[NH+]C=C2CCC(C(=O)NC(CC3CCCOC3)C(=O)[O-])CN21	REAL300003563605	1	49	0.0	-59.48	366.54	8.07	-51.41
CC1=NC(C[NH+]2CCC(C(=O)NC(CC3CCCOC3)C(=O)[O-])CC2)=CS1	REAL300003563668	1	56	0.0	-72.93	431.70	8.39	-64.54
CC(C(=O)NC(CC1CCCOC1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300003563669	1	52	0.0	-67.74	376.01	5.33	-62.41
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC2CCCOC2)C(=O)[O-])C=C1	REAL300003563740	0	60	0.0	-78.67	461.89	9.46	-69.21
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300003563796	0	42	0.0	-68.73	337.74	8.30	-60.43
C[NH+](C)CC1(C(=O)NC(CC2CCCOC2)C(=O)[O-])CCCCC1	REAL300003563824	0	56	0.0	-72.63	384.73	8.97	-63.66
C[N@H+](CCC(=O)NC(CC1CCCOC1)C(=O)[O-])C1CCCCC1	REAL300003563828	0	56	0.0	-64.93	402.00	9.05	-55.88
C[N@@H+](CCC(=O)NC(CC1CCCOC1)C(=O)[O-])C1CCCCC1	REAL300003563828	1	56	0.0	-64.87	405.98	8.37	-56.50
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003563887	0	50	0.0	-81.34	397.05	7.36	-73.98
O=C([O-])C(CC1CCCOC1)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003563902	0	58	0.0	-75.04	415.32	7.74	-67.30
CC1=[NH+]C=CN1CCCC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003563928	1	48	0.0	-66.22	378.79	7.62	-58.60
O=C(CCCC[NH+]1CCOCC1)NC(CC1CCCOC1)C(=O)[O-]	REAL300003563929	1	54	0.0	-73.30	406.09	6.30	-67.00
CC[N@H+](CC1=CC=C(C(=O)NC(CC2CCCOC2)C(=O)[O-])C=C1)C(C)C	REAL300003563930	0	59	0.0	-77.03	430.29	10.58	-66.45
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2CCCOC2)C(=O)[O-])C=C1)C(C)C	REAL300003563930	1	59	0.0	-79.67	421.88	10.34	-69.33
O=C([O-])C(CC1CCCOC1)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003563954	0	54	0.0	-64.69	412.30	9.20	-55.49
O=C([O-])C(CC1CCCOC1)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003563954	1	54	0.0	-65.62	412.64	9.16	-56.46
O=C([O-])C(CC1CCCOC1)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003563955	0	55	0.0	-73.12	406.57	9.40	-63.72
O=C(CC1([NH+]2CCOCC2)CCCC1)NC(CC1CCCOC1)C(=O)[O-]	REAL300003563983	0	58	0.0	-66.22	404.56	6.55	-59.67
CCC(C(=O)NC(CC1CCCOC1)C(=O)[O-])[NH+](CC)CC	REAL300003563987	0	52	0.0	-53.17	373.74	7.08	-46.09
CC(C(=O)NC(CC1CCCOC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003563989	0	53	0.0	-59.94	398.58	9.43	-50.51
CC(C(=O)NC(CC1CCCOC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003563989	1	53	0.0	-56.08	395.93	9.40	-46.68
O=C([O-])C(CC1CCCOC1)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003563996	0	60	0.0	-55.26	440.10	11.76	-43.50
O=C([O-])C(CC1CCCOC1)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003563996	1	60	0.0	-68.24	451.49	10.76	-57.48
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CCCOC2)C(=O)[O-])C=N1	REAL300003564009	0	49	0.0	-75.92	377.27	7.55	-68.37
CCC[NH+](CCC)CCCC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564015	0	58	0.0	-66.98	430.14	8.99	-57.99
C[N@@H+]1CCOC(C(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300003564017	1	45	0.0	-65.60	325.68	5.73	-59.87
C[N@H+]1CCOC(C(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300003564017	1	45	0.0	-50.97	332.95	5.80	-45.17
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564024	1	48	0.0	-54.97	368.43	8.24	-46.73
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003564038	0	54	0.0	-81.46	410.54	9.41	-72.05
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003564043	0	57	0.0	-72.93	427.53	10.04	-62.89
CCN1CCC([NH+]2CCC(C(=O)NC(CC3CCCOC3)C(=O)[O-])CC2)CC1	REAL300003564048	0	65	0.0	-71.38	450.62	8.04	-63.34
C[NH+](C)CCCCC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564059	0	49	0.0	-72.36	373.19	6.84	-65.52
O=C([O-])C(CC1CCCOC1)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003564068	1	58	0.0	-76.88	430.91	10.00	-66.88
O=C([O-])C(CC1CCCOC1)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003564068	1	58	0.0	-76.32	437.68	10.05	-66.27
CC1=C(C(=O)NC(CC2CCCOC2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003564080	1	48	0.0	-79.42	383.58	6.60	-72.82
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003564083	0	57	0.0	-80.24	423.06	10.89	-69.35
O=C([O-])C(CC1CCCOC1)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003564094	1	50	0.0	-77.11	391.22	6.79	-70.32
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2CCCOC2)C(=O)[O-])C=C1	REAL300003564095	0	53	0.0	-85.39	408.22	9.10	-76.29
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564101	1	46	0.0	-57.59	357.11	5.80	-51.79
O=C([O-])C(CC1CCCOC1)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003564102	1	55	0.0	-76.17	421.72	8.80	-67.37
O=C([O-])C(CC1CCCOC1)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003564102	1	55	0.0	-73.46	413.58	9.38	-64.08
C[N@H+](CC(=O)NC(CC1CCCOC1)C(=O)[O-])CC(C)(C)C	REAL300003564151	0	52	0.0	-57.40	371.43	7.88	-49.52
C[N@@H+](CC(=O)NC(CC1CCCOC1)C(=O)[O-])CC(C)(C)C	REAL300003564151	1	52	0.0	-57.46	373.73	8.02	-49.44
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564153	0	53	0.0	-59.80	402.49	9.97	-49.83
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564153	1	53	0.0	-60.67	402.73	9.91	-50.76
COCCOCC[N@H+](C)CCC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564154	0	57	0.0	-64.41	431.52	6.13	-58.28
COCCOCC[N@@H+](C)CCC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564154	1	57	0.0	-64.60	431.54	6.15	-58.45
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300003564157	0	51	0.0	-61.80	363.95	5.67	-56.13
C[N@H+]1CCCC(O)(CC(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300003564157	1	51	0.0	-66.83	361.34	5.70	-61.13
CCCCCC[N@H+](C)CC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564168	0	55	0.0	-58.21	407.08	9.29	-48.92
CCCCCC[N@@H+](C)CC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564168	1	55	0.0	-58.82	407.32	9.21	-49.61
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300003564182	1	42	0.0	-75.93	338.01	8.30	-67.63
C[N@H+](CC(=O)NC(CC1CCCOC1)C(=O)[O-])C1CCSC1	REAL300003564198	0	48	0.0	-59.64	362.84	7.77	-51.87
C[N@@H+](CC(=O)NC(CC1CCCOC1)C(=O)[O-])C1CCSC1	REAL300003564198	1	48	0.0	-60.68	362.62	7.78	-52.90
CC(C)[NH+]1CCN(CCC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300003564211	0	58	0.0	-67.88	418.70	6.70	-61.18
CC(C)N1CC[NH+](CCC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300003564211	1	58	0.0	-63.94	415.45	6.42	-57.52
CC(C)[NH+]1CCN(CCCC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300003564212	0	61	0.0	-69.16	440.20	7.51	-61.65
CC(C)N1CC[NH+](CCCC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300003564212	1	61	0.0	-68.50	440.98	6.47	-62.03
O=C([O-])C(CC1CCCOC1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300003564213	0	51	0.0	-57.94	359.11	7.97	-49.97
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C[NH+](C)CCN1C=C(C(=O)NC(CC2CCCOC2)C(=O)[O-])C=N1	REAL300003564215	0	50	0.0	-79.35	391.89	6.27	-73.08
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CC(C(=O)NC(CC1CCCOC1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003564226	1	54	0.0	-57.81	398.63	10.03	-47.78
CC(C(=O)NC(CC1CCCOC1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003564226	1	54	0.0	-55.60	394.94	9.85	-45.75
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CC[C@@H]1[C@@H](C(=O)NC(CC2CCCOC2)C(=O)[O-])CC[N@@H+]1C	REAL300003564264	0	50	0.0	-69.77	364.79	6.38	-63.39
CC[C@@H]1[C@@H](C(=O)NC(CC2CCCOC2)C(=O)[O-])CC[N@H+]1C	REAL300003564264	1	50	0.0	-65.32	370.03	6.74	-58.58
CC1C[N@H+](C)CC(C(=O)NC(CC2CCCOC2)C(=O)[O-])O1	REAL300003564274	1	48	0.0	-70.74	359.65	5.88	-64.86
CC1C[N@@H+](C)CC(C(=O)NC(CC2CCCOC2)C(=O)[O-])O1	REAL300003564274	1	48	0.0	-70.33	355.47	6.62	-63.71
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CC(C[NH+]1CCOCC1)C(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564283	0	51	0.0	-64.58	370.81	6.05	-58.53
O=C([O-])C(CC1CCCOC1)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003564284	0	58	0.0	-67.19	434.15	8.21	-58.98
CC1CC[NH+](CC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300003564294	0	50	0.0	-57.64	370.53	7.27	-50.37
CC[N@@H+]1CCOC(C(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300003564307	1	48	0.0	-52.94	355.89	5.67	-47.27
CC[N@H+]1CCOC(C(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300003564307	1	48	0.0	-74.98	362.75	5.89	-69.09
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300003564338	1	57	0.0	-72.71	425.16	9.10	-63.61
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C[N@@H+]1CCCC1CCC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564345	0	50	0.0	-66.04	370.76	8.01	-58.03
C[N@H+]1CCCC1CCC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564345	1	50	0.0	-64.94	365.35	7.55	-57.39
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CN1CC[NH+](CC2=CC=C(C(=O)NC(CC3CCCOC3)C(=O)[O-])C=C2)CC1	REAL300003564370	1	59	0.0	-81.46	439.82	8.28	-73.18
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC2CCCOC2)C(=O)[O-])C=C1	REAL300003564371	0	60	0.0	-79.37	445.90	10.14	-69.23
CC(C)[NH+]1CCC(C(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300003564379	0	53	0.0	-66.77	378.84	8.07	-58.70
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CC1CCC(C)[NH+]1CC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564492	0	50	0.0	-54.41	360.49	7.54	-46.87
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2CCCOC2)C(=O)[O-])=C1	REAL300003564493	0	50	0.0	-75.54	386.02	8.20	-67.34
O=C([O-])C(CC1CCCOC1)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003564494	0	57	0.0	-59.97	422.73	10.12	-49.85
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C#CC[NH+]1CCC(C(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300003564546	0	49	0.0	-70.64	372.60	8.34	-62.30
CC[NH+]1CCN(CCC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300003564548	0	55	0.0	-70.19	401.70	6.08	-64.11
CCN1CC[NH+](CCC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300003564548	1	55	0.0	-64.07	402.20	6.11	-57.96
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564555	1	51	0.0	-59.20	389.01	8.61	-50.59
CC(C(=O)NC(CC1CCCOC1)C(=O)[O-])[NH+]1CCCCCC1	REAL300003564586	0	53	0.0	-55.01	377.65	7.19	-47.82
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CCCOC3)C(=O)[O-])=CC=C1N2	REAL300003564620	1	55	0.0	-81.34	416.58	9.40	-71.94
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CCCOC3)C(=O)[O-])=CC=C1N2	REAL300003564620	1	55	0.0	-80.43	416.55	9.44	-70.99
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2CCCOC2)C(=O)[O-])O1	REAL300003564661	0	53	0.0	-75.51	399.18	8.45	-67.06
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CC1=CC=C(N2CCC(C(=O)NC(CC3CCCOC3)C(=O)[O-])CC2)[NH+]=C1	REAL300003564664	1	56	0.0	-70.57	421.85	7.78	-62.79
C[N@H+](CC(=O)NC(CC1CCCOC1)C(=O)[O-])CC1=CC=CC=C1	REAL300003564665	1	50	0.0	-60.94	380.25	9.05	-51.89
C[N@@H+](CC(=O)NC(CC1CCCOC1)C(=O)[O-])CC1=CC=CC=C1	REAL300003564665	1	50	0.0	-61.13	380.25	9.06	-52.07
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003564685	1	45	0.0	-76.93	366.88	6.21	-70.72
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564712	0	57	0.0	-71.25	428.55	10.53	-60.72
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564712	1	57	0.0	-67.77	428.34	9.70	-58.07
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564728	0	50	0.0	-55.69	362.24	7.66	-48.03
CC(C)[N@H+]1CCCC1C(=O)NC(CC1CCCOC1)C(=O)[O-]	REAL300003564728	1	50	0.0	-55.14	365.93	6.86	-48.28
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC2CCCOC2)C(=O)[O-])C=C1	REAL300003564735	0	58	0.0	-82.73	450.31	9.17	-73.56
C[NH+]1CCC(OCC(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300003564749	0	51	0.0	-77.03	387.53	6.86	-70.17
O=C([O-])C(CC1CCCOC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003564754	0	54	0.0	-76.69	413.72	8.47	-68.22
CCC[N@@H+]1CCCC(C(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300003564900	0	53	0.0	-62.67	390.72	7.78	-54.89
CCC[N@H+]1CCCC(C(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300003564900	1	53	0.0	-64.40	390.74	7.78	-56.62
O=C([O-])C(CC1CCCOC1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300003564928	1	51	0.0	-58.74	381.61	3.89	-54.85
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300003565111	0	53	0.0	-56.34	369.70	8.21	-48.13
CC(C)[N@H+]1CCCC(C(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300003565111	1	53	0.0	-55.77	369.44	8.28	-47.49
C[N@@H+]1CC(C(=O)NC(CC2CCCOC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003565112	0	47	0.0	-67.54	367.99	7.20	-60.34
C[N@H+]1CC(C(=O)NC(CC2CCCOC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003565112	1	47	0.0	-75.38	355.15	6.49	-68.89
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2CCCOC2)C(=O)[O-])N1	REAL300003565134	1	48	0.0	-60.20	378.06	6.00	-54.20
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2CCCOC2)C(=O)[O-])=C1	REAL300003565526	0	53	0.0	-76.40	404.24	9.79	-66.61
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2CCCOC2)C(=O)[O-])C=C1	REAL300003565534	0	54	0.0	-81.29	411.53	8.76	-72.53
O=C([O-])C(CC1CCCOC1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003565626	0	60	0.0	-69.79	443.05	11.46	-58.33
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC3CCCOC3)C(=O)[O-])C=C2)CCO1	REAL300003565628	1	58	0.0	-81.99	428.28	9.18	-72.81
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC3CCCOC3)C(=O)[O-])C=C2)CCO1	REAL300003565628	1	58	0.0	-82.75	433.10	8.43	-74.32
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2CCCOC2)C(=O)[O-])CC1	REAL300003565659	0	53	0.0	-66.03	368.94	7.95	-58.08
CC1=[NH+]C=C2C=CC(C(=O)NC(CC3CCCOC3)C(=O)[O-])=CN21	REAL300003565663	0	45	0.0	-64.95	359.16	8.07	-56.88
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300003565713	0	56	0.0	-56.60	391.71	9.21	-47.39
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300003565713	1	56	0.0	-65.58	409.32	8.41	-57.17
CC[N@@H+]1CCCC(C(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300003565714	0	50	0.0	-62.12	361.72	7.66	-54.46
CC[N@H+]1CCCC(C(=O)NC(CC2CCCOC2)C(=O)[O-])C1	REAL300003565714	1	50	0.0	-62.72	361.98	7.59	-55.13
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CCCOC2)C(=O)[O-])O1	REAL300003565720	1	47	0.0	-78.40	371.06	6.50	-71.90
O=C([O-])C(CC1CCCOC1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003565727	0	49	0.0	-64.80	360.44	7.19	-57.61
O=C([O-])C(CC1CCCOC1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300003565727	1	49	0.0	-62.84	359.58	7.78	-55.06
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC=C(Br)C=C32)C1	REAL300003565811	0	41	0.0	-45.13	332.43	9.80	-35.33
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=C(Br)C=C32)C1	REAL300003565811	1	41	0.0	-42.51	326.23	9.78	-32.73
CC1(C)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=C(Br)C=C21	REAL300003565925	0	47	0.0	-45.48	366.76	10.85	-34.63
CC1(C)CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=C(Br)C=C21	REAL300003565925	1	47	0.0	-46.76	373.52	10.89	-35.87
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC=C(C(F)(F)F)C=C3C2)C1	REAL300003566036	0	47	0.0	-51.13	372.18	10.67	-40.46
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=C(C(F)(F)F)C=C3C2)C1	REAL300003566036	1	47	0.0	-50.13	371.91	10.64	-39.49
CC1=CC(Br)=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300003566149	0	47	0.0	-43.50	366.77	10.79	-32.71
CC1=CC(Br)=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300003566149	1	47	0.0	-43.51	365.58	10.36	-33.15
COC1=CC=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003566246	0	47	0.0	-48.21	363.49	8.78	-39.43
COC1=CC=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003566246	1	47	0.0	-45.81	355.98	8.32	-37.49
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCC3=CC(Cl)=CC=C32)C1	REAL300003566364	0	44	0.0	-50.49	356.38	9.18	-41.31
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CCC3=CC(Cl)=CC=C32)C1	REAL300003566364	1	44	0.0	-49.27	356.51	9.17	-40.10
COCC1(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)COC2=CC=CC=C2C1	REAL300003566481	0	52	0.0	-45.50	392.41	7.27	-38.23
COCC1(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)COC2=CC=CC=C2C1	REAL300003566481	1	52	0.0	-43.04	386.95	7.30	-35.74
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CC3=NC(C4CCC4)=NO3)CC2)C1	REAL300003566593	0	58	0.0	-47.68	426.28	9.06	-38.62
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CC3=NC(C4CCC4)=NO3)CC2)C1	REAL300003566593	1	58	0.0	-49.93	433.76	9.53	-40.40
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2CCCC3=CC=C(Cl)C=C32)C1	REAL300003566709	0	47	0.0	-48.76	366.10	9.60	-39.16
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2CCCC3=CC=C(Cl)C=C32)C1	REAL300003566709	1	47	0.0	-49.05	366.80	9.61	-39.44
COCC1=NC=C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2=N1	REAL300003566838	0	49	0.0	-55.96	378.50	6.57	-49.39
COCC1=NC=C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2=N1	REAL300003566838	1	49	0.0	-57.50	378.38	6.57	-50.93
CC1=CC=C(C2=CC=CC=C2NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300003566959	0	47	0.0	-45.00	373.61	10.77	-34.23
CC1=CC=C(C2=CC=CC=C2NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)S1	REAL300003566959	1	47	0.0	-46.65	374.42	11.21	-35.44
C[C@H]1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C[C@]1(C)C(=O)[O-]	REAL300003568314	0	53	0.0	-79.02	388.69	10.82	-68.20
C[C@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C[C@]1(C)C(=O)[O-]	REAL300003569095	0	50	0.0	-64.29	374.87	10.41	-53.88
C[C@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C[C@]1(C)C(=O)[O-]	REAL300003569095	1	50	0.0	-58.38	366.83	9.89	-48.49
C[C@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003569891	1	50	0.0	-69.44	387.89	10.81	-58.63
C[C@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003569891	1	50	0.0	-69.85	388.80	10.81	-59.04
CC1=[NH+]C=C2CCC(C(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)CN12	REAL300003569979	1	45	0.0	-53.16	338.51	8.45	-44.71
C[C@H]1CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C[C@]1(C)C(=O)[O-]	REAL300003569980	0	53	0.0	-68.34	381.77	10.23	-58.11
CC1=NC(C[NH+]2CCC(C(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)CC2)=CS1	REAL300003570045	1	52	0.0	-75.70	399.04	8.95	-66.75
C[C@H]1CN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003570120	0	56	0.0	-75.86	425.11	10.57	-65.29
C[C@H]1CN(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C[C@]1(C)C(=O)[O-]	REAL300003570134	0	56	0.0	-81.90	421.94	12.50	-69.40
C[C@H]1CN(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C[C@]1(C)C(=O)[O-]	REAL300003570134	1	56	0.0	-83.08	421.99	12.49	-70.59
C[C@H]1CN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C[C@]1(C)C(=O)[O-]	REAL300003570135	0	56	0.0	-61.11	396.17	10.92	-50.19
C[C@H]1CN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570178	0	53	0.0	-73.01	395.39	10.36	-62.65
C[C@H]1CN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570178	1	53	0.0	-75.56	396.28	10.47	-65.09
C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@]1(C)C(=O)[O-]	REAL300003570218	0	52	0.0	-68.05	343.48	9.07	-58.98
C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@]1(C)C(=O)[O-]	REAL300003570221	0	52	0.0	-71.46	368.61	9.42	-62.04
C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@]1(C)C(=O)[O-]	REAL300003570221	1	52	0.0	-72.98	369.45	9.41	-63.57
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003570245	1	53	0.0	-60.98	394.32	10.98	-50.00
C[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003570245	1	53	0.0	-70.61	394.04	10.97	-59.64
C[C@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003570246	1	50	0.0	-70.37	377.56	10.36	-60.01
C[C@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003570246	1	50	0.0	-70.82	378.47	10.36	-60.46
C[C@H]1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003570301	0	46	0.0	-72.24	356.91	8.05	-64.19
C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)C[C@]1(C)C(=O)[O-]	REAL300003570306	0	56	0.0	-83.31	424.12	10.27	-73.04
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@]1(C)C(=O)[O-]	REAL300003570332	0	53	0.0	-60.74	366.20	9.56	-51.18
C[C@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C[C@]1(C)C(=O)[O-]	REAL300003570332	1	53	0.0	-62.35	359.92	9.41	-52.94
C[C@H]1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@]1(C)C(=O)[O-]	REAL300003570333	0	54	0.0	-67.34	368.57	7.44	-59.90
C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@]1(C)C(=O)[O-]	REAL300003570361	1	50	0.0	-76.60	369.31	7.41	-69.19
CC[N@H+](CC1=CC=C(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300003570362	0	55	0.0	-84.10	390.71	10.36	-73.74
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300003570362	1	55	0.0	-88.56	385.00	10.19	-78.37
C[C@H]1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570386	0	50	0.0	-72.76	372.96	10.16	-62.60
C[C@H]1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570386	1	50	0.0	-71.45	371.83	10.17	-61.28
C[C@H]1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C[C@]1(C)C(=O)[O-]	REAL300003570387	0	51	0.0	-81.58	371.09	9.43	-72.15
C[C@H]1CN(C(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C[C@]1(C)C(=O)[O-]	REAL300003570409	1	55	0.0	-72.22	406.13	8.91	-63.31
C[C@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@]1(C)C(=O)[O-]	REAL300003570410	0	54	0.0	-72.39	367.73	7.69	-64.70
CC(C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300003570413	0	49	0.0	-69.40	363.96	9.73	-59.67
CC(C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003570413	1	49	0.0	-68.49	364.55	9.79	-58.70
C[C@H]1CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570423	0	56	0.0	-80.05	414.68	11.78	-68.27
C[C@H]1CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570423	1	56	0.0	-74.29	410.49	11.60	-62.69
C[C@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C[C@]1(C)C(=O)[O-]	REAL300003570454	0	45	0.0	-81.32	341.72	7.38	-73.94
CCC[NH+](CCC)CCCC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	REAL300003570466	0	54	0.0	-72.82	393.60	10.03	-62.79
C[C@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C[C@]1(C)C(=O)[O-]	REAL300003570467	1	54	0.0	-60.98	395.04	7.54	-53.44
CC[N@H+](C)C(C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003570468	0	49	0.0	-65.75	356.33	9.76	-55.99
CC[N@@H+](C)C(C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003570468	1	49	0.0	-62.98	361.74	9.81	-53.17
CC[NH+](CC)C(C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003570473	0	52	0.0	-62.95	367.75	10.17	-52.78
C[C@H]1CN(C(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C[C@]1(C)C(=O)[O-]	REAL300003570479	1	46	0.0	-69.04	359.27	9.58	-59.46
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003570493	0	50	0.0	-88.83	369.44	9.99	-78.84
C[C@H]1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C[C@]1(C)C(=O)[O-]	REAL300003570500	0	53	0.0	-78.79	386.84	10.75	-68.04
CCN1CCC([NH+]2CCC(C(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)CC2)CC1	REAL300003570506	0	61	0.0	-75.87	421.80	8.41	-67.46
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003570513	1	57	0.0	-91.00	420.61	9.85	-81.15
C[C@H]1CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@]1(C)C(=O)[O-]	REAL300003570522	1	54	0.0	-82.87	398.28	10.32	-72.55
C[C@H]1CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@]1(C)C(=O)[O-]	REAL300003570522	1	54	0.0	-79.77	405.10	10.37	-69.40
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C[C@]1(C)C(=O)[O-]	REAL300003570536	0	53	0.0	-62.15	388.22	10.89	-51.26
C[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C[C@]1(C)C(=O)[O-]	REAL300003570536	1	53	0.0	-65.04	379.82	10.65	-54.39
CC1=C(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300003570538	1	44	0.0	-78.55	342.06	7.36	-71.19
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003570546	0	53	0.0	-89.16	386.82	10.75	-78.41
C[C@H]1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C[C@]1(C)C(=O)[O-]	REAL300003570558	1	46	0.0	-76.85	352.33	8.22	-68.63
C[C@H]1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003570559	0	49	0.0	-90.90	367.79	9.75	-81.15
C[C@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@]1(C)C(=O)[O-]	REAL300003570567	1	51	0.0	-81.13	373.93	9.49	-71.64
C[C@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@]1(C)C(=O)[O-]	REAL300003570567	1	51	0.0	-70.01	374.73	9.50	-60.51
C[C@H]1CN(C(=O)C2=CC=CC=C2OCC[N@@H+]2CCCCC2C)C[C@]1(C)C(=O)[O-]	REAL300003570573	0	60	0.0	-64.42	432.19	12.21	-52.21
C[C@H]1CN(C(=O)C2=CC=CC=C2OCC[N@H+]2CCCCC2C)C[C@]1(C)C(=O)[O-]	REAL300003570573	1	60	0.0	-65.70	434.18	12.07	-53.63
CC(C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003570581	0	59	0.0	-62.10	427.51	12.25	-49.85
CC(C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)[NH+]1CCSCC1	REAL300003570611	1	44	0.0	-62.76	329.49	7.79	-54.97
C[C@H]1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C[C@]1(C)C(=O)[O-]	REAL300003570618	0	49	0.0	-71.85	370.35	10.26	-61.59
C[C@H]1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C[C@]1(C)C(=O)[O-]	REAL300003570618	1	49	0.0	-71.78	370.35	10.27	-61.51
COCCOCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	REAL300003570619	0	53	0.0	-72.22	398.35	6.44	-65.78
COCCOCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	REAL300003570619	1	53	0.0	-73.54	399.22	6.44	-67.10
C[C@H]1CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@]1(C)C(=O)[O-]	REAL300003570629	0	58	0.0	-78.16	425.34	9.96	-68.20
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C[C@]1(C)C(=O)[O-]	REAL300003570630	1	52	0.0	-69.72	372.04	8.76	-60.96
C[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C[C@]1(C)C(=O)[O-]	REAL300003570630	1	52	0.0	-63.46	371.50	8.75	-54.71
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C[C@]1(C)C(=O)[O-]	REAL300003570631	1	52	0.0	-64.81	383.57	9.07	-55.74
C[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C[C@]1(C)C(=O)[O-]	REAL300003570631	1	52	0.0	-61.71	371.38	8.71	-53.00
C[C@H]1CN(C(=O)C[N@H+](C)C2CCSC2)C[C@]1(C)C(=O)[O-]	REAL300003570655	0	44	0.0	-69.66	330.01	8.07	-61.59
C[C@H]1CN(C(=O)C[N@@H+](C)C2CCSC2)C[C@]1(C)C(=O)[O-]	REAL300003570655	1	44	0.0	-72.63	330.85	8.08	-64.55
CC(C)[NH+]1CCN(CCC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)CC1	REAL300003570666	0	54	0.0	-71.64	385.28	6.87	-64.77
CC(C)N1CC[NH+](CCC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)CC1	REAL300003570666	1	54	0.0	-70.80	382.93	6.86	-63.94
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)CC1	REAL300003570667	0	57	0.0	-71.39	403.88	7.58	-63.81
CC(C)N1CC[NH+](CCCC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)CC1	REAL300003570667	1	57	0.0	-73.73	404.72	7.64	-66.09
C[C@H]1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C[C@]1(C)C(=O)[O-]	REAL300003570669	0	46	0.0	-84.04	350.06	6.94	-77.10
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)CC2)=C1	REAL300003570674	0	58	0.0	-76.96	425.28	9.83	-67.13
C[C@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@]1(C)C(=O)[O-]	REAL300003570676	0	55	0.0	-74.89	403.55	9.19	-65.70
C[C@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570680	0	52	0.0	-64.57	377.58	9.17	-55.40
C[C@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570680	1	52	0.0	-67.09	386.64	9.15	-57.94
CC(C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003570685	1	50	0.0	-67.37	368.00	10.17	-57.20
CC(C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003570685	1	50	0.0	-65.19	365.04	10.17	-55.02
CCC(CC)C(C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300003570700	1	56	0.0	-61.55	367.04	7.54	-54.01
C[C@H]1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570713	0	53	0.0	-77.81	395.29	11.05	-66.76
C[C@H]1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570713	1	53	0.0	-77.07	395.29	11.08	-65.99
C[C@H]1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003570725	0	46	0.0	-89.31	352.21	7.57	-81.74
C[C@H]1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C[C@]1(C)C(=O)[O-]	REAL300003570726	0	46	0.0	-60.99	345.25	6.97	-54.02
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	REAL300003570731	1	47	0.0	-65.36	357.02	9.06	-56.30
C[C@H]1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C[C@]1(C)C(=O)[O-]	REAL300003570734	1	47	0.0	-84.08	353.74	7.09	-76.99
C[C@H]1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C[C@]1(C)C(=O)[O-]	REAL300003570734	1	47	0.0	-78.41	353.55	7.11	-71.30
C[C@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570745	0	53	0.0	-75.08	394.69	10.82	-64.26
C[C@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570745	1	53	0.0	-67.05	398.16	10.98	-56.07
C[C@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C[C@]1(C)C(=O)[O-]	REAL300003570746	1	49	0.0	-59.72	366.57	8.61	-51.11
C[C@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C[C@]1(C)C(=O)[O-]	REAL300003570746	1	49	0.0	-61.30	362.52	8.06	-53.24
C[C@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C[C@]1(C)C(=O)[O-]	REAL300003570750	0	54	0.0	-76.49	401.57	8.58	-67.91
C[C@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570796	0	53	0.0	-71.96	374.48	9.64	-62.32
C[C@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570796	1	53	0.0	-71.74	372.68	9.55	-62.19
C[C@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C[C@]1(C)C(=O)[O-]	REAL300003570816	0	58	0.0	-71.37	421.14	10.26	-61.11
C[C@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C[C@]1(C)C(=O)[O-]	REAL300003570816	1	58	0.0	-76.06	418.84	9.56	-66.50
C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@]1(C)C(=O)[O-]	REAL300003570823	0	50	0.0	-70.33	345.49	6.47	-63.86
CC(C)[N@@H+]1CCC(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003570826	0	59	0.0	-77.92	425.41	9.55	-68.37
CC(C)[N@H+]1CCC(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003570826	1	59	0.0	-84.82	425.12	9.56	-75.26
C[C@H]1CN(C(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C[C@]1(C)C(=O)[O-]	REAL300003570827	0	53	0.0	-79.61	372.91	7.91	-71.70
C[C@H]1CN(C(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C[C@]1(C)C(=O)[O-]	REAL300003570827	1	53	0.0	-75.83	376.48	7.68	-68.15
C[C@H]1CN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C[C@]1(C)C(=O)[O-]	REAL300003570833	0	55	0.0	-75.26	403.92	8.33	-66.93
C[C@H]1CN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003570834	0	55	0.0	-68.30	404.22	8.32	-59.98
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003570834	1	55	0.0	-89.21	403.41	8.20	-81.01
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C=C1	REAL300003570835	0	56	0.0	-73.79	405.85	9.74	-64.05
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003570936	0	57	0.0	-92.41	418.54	8.07	-84.34
C[C@H]1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C[C@]1(C)C(=O)[O-]	REAL300003570940	0	46	0.0	-80.50	345.39	8.91	-71.59
C[C@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570941	0	53	0.0	-69.68	382.92	10.79	-58.89
C[C@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003570941	1	53	0.0	-81.04	382.37	10.78	-70.26
C[C@H]1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C[C@]1(C)C(=O)[O-]	REAL300003570997	0	46	0.0	-62.78	342.59	8.93	-53.85
CC[NH+]1CCN(CCC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)CC1	REAL300003570999	0	51	0.0	-73.26	368.53	6.34	-66.92
CCN1CC[NH+](CCC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)CC1	REAL300003570999	1	51	0.0	-70.54	368.20	6.38	-64.16
CC(C)C(C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300003571002	0	52	0.0	-64.69	355.98	9.39	-55.30
C[C@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C[C@]1(C)C(=O)[O-]	REAL300003571003	1	46	0.0	-65.70	343.15	9.11	-56.59
C[C@H]1CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003571007	0	51	0.0	-59.90	380.49	7.32	-52.58
C[C@H]1CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C[C@]1(C)C(=O)[O-]	REAL300003571007	1	51	0.0	-64.56	382.86	7.15	-57.41
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	REAL300003571012	1	47	0.0	-66.02	355.66	8.98	-57.04
C[C@H]1CN(C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C[C@]1(C)C(=O)[O-]	REAL300003571013	0	49	0.0	-59.55	372.79	9.73	-49.82
C[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@]1(C)C(=O)[O-]	REAL300003571017	0	50	0.0	-63.74	351.71	9.13	-54.61
C[C@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@]1(C)C(=O)[O-]	REAL300003571017	1	50	0.0	-65.84	346.79	9.40	-56.44
C[C@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C[C@]1(C)C(=O)[O-]	REAL300003571040	1	51	0.0	-64.83	383.03	10.63	-54.20
CC(C)C(C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300003571041	1	56	0.0	-60.57	388.73	8.13	-52.44
C[C@H]1CN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C[C@]1(C)C(=O)[O-]	REAL300003571069	1	51	0.0	-79.99	382.05	9.33	-70.66
C[C@H]1CN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C[C@]1(C)C(=O)[O-]	REAL300003571069	1	51	0.0	-79.07	380.67	9.30	-69.77
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)O1	REAL300003571121	0	49	0.0	-79.52	363.36	8.78	-70.74
CC1=CC=C(N2CCC(C(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300003571122	1	52	0.0	-63.47	383.57	8.59	-54.88
C[C@H]1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C[C@]1(C)C(=O)[O-]	REAL300003571123	1	46	0.0	-72.30	347.92	9.42	-62.88
C[C@H]1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C[C@]1(C)C(=O)[O-]	REAL300003571123	1	46	0.0	-68.46	347.41	9.41	-59.05
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)C=C2)CC1	REAL300003571126	0	58	0.0	-78.39	415.06	9.30	-69.09
C[C@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@]1(C)C(=O)[O-]	REAL300003571137	1	41	0.0	-81.35	325.41	6.88	-74.47
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	REAL300003571171	0	53	0.0	-73.42	390.77	10.90	-62.52
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1	REAL300003571171	1	53	0.0	-77.28	389.63	10.69	-66.59
C[C@H]1CN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003571189	0	54	0.0	-86.33	411.47	10.27	-76.06
C[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C[C@]1(C)C(=O)[O-]	REAL300003571207	0	50	0.0	-80.58	372.55	9.45	-71.13
C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C[C@]1(C)C(=O)[O-]	REAL300003571238	0	52	0.0	-73.50	384.38	8.96	-64.54
C[C@H]1CN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C[C@]1(C)C(=O)[O-]	REAL300003571238	1	52	0.0	-69.72	376.86	8.75	-60.97
C[C@H]1CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C[C@]1(C)C(=O)[O-]	REAL300003571477	0	54	0.0	-76.76	394.61	11.04	-65.72
C[C@H]1CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C[C@]1(C)C(=O)[O-]	REAL300003571477	1	54	0.0	-80.66	397.29	11.04	-69.62
C[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C[C@]1(C)C(=O)[O-]	REAL300003571509	1	53	0.0	-71.06	383.15	10.53	-60.53
C[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C[C@]1(C)C(=O)[O-]	REAL300003571509	1	53	0.0	-70.68	394.61	11.00	-59.68
C[C@H]1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C[C@]1(C)C(=O)[O-]	REAL300003571592	0	43	0.0	-72.13	330.85	7.40	-64.73
C[C@H]1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C[C@]1(C)C(=O)[O-]	REAL300003571592	1	43	0.0	-77.31	321.71	7.03	-70.28
C[C@H]1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C[C@]1(C)C(=O)[O-]	REAL300003572024	0	49	0.0	-94.20	367.80	9.73	-84.47
C[C@H]1CN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003572030	0	50	0.0	-74.15	375.79	8.69	-65.46
C[C@H]1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C[C@]1(C)C(=O)[O-]	REAL300003572109	0	56	0.0	-75.08	410.40	11.72	-63.36
C[C@H]1CN(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003572111	1	54	0.0	-81.47	399.62	9.09	-72.38
C[C@H]1CN(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C[C@]1(C)C(=O)[O-]	REAL300003572111	1	54	0.0	-81.11	399.76	9.11	-72.00
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1	REAL300003572197	0	52	0.0	-64.30	363.01	9.45	-54.85
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1	REAL300003572197	1	52	0.0	-64.30	363.01	9.45	-54.85
C[C@H]1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C[C@]1(C)C(=O)[O-]	REAL300003572205	0	52	0.0	-78.95	344.69	7.95	-71.00
C[C@H]1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C[C@]1(C)C(=O)[O-]	REAL300003572205	1	52	0.0	-78.95	344.69	7.95	-71.00
CN(CC1=CC=CC=C1OCC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003572275	0	57	0.0	-46.33	439.53	12.90	-33.43
CN(CC1=CC=CC=C1OCC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003572275	1	57	0.0	-46.33	439.53	12.90	-33.43
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C12CC1CCCC2	REAL300003572342	0	50	0.0	-46.53	356.54	9.00	-37.53
CCC(F)(F)C(C)(C)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003572486	0	48	0.0	-47.56	350.47	7.46	-40.10
CCC1(C(F)(F)F)CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300003572703	0	47	0.0	-52.38	353.73	7.70	-44.68
O=C([O-])C1CCC[N@H+](CC(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C1	REAL300003572831	0	51	0.0	-49.34	376.44	11.46	-37.88
O=C([O-])C1CCC[N@@H+](CC(=O)N2C[C@H]3[C@H](C[C@@H]3C3=CC=CC=C3)C2)C1	REAL300003572831	1	51	0.0	-49.34	376.44	11.46	-37.88
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCC[C@@H]2C2=CC=CC=C2)C1	REAL300003572954	0	50	0.0	-45.82	370.85	10.92	-34.90
CC(C)(C)[C@H](NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003574004	0	52	0.0	-73.86	386.69	10.26	-63.60
CC1=NC(C[NH+]2CCC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC2)=CS1	REAL300003575236	1	51	0.0	-75.22	395.35	7.93	-67.29
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300003575280	0	55	0.0	-77.51	419.67	9.78	-67.73
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300003575285	0	55	0.0	-77.78	421.42	12.16	-65.62
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300003575285	1	55	0.0	-78.05	420.41	12.12	-65.93
CC(C)(C)[C@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300003575394	0	45	0.0	-80.73	356.45	7.64	-73.09
CC(C)(C)[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300003575412	0	53	0.0	-77.09	378.93	7.26	-69.83
CC(C)(C)[C@H](NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300003575431	1	49	0.0	-75.00	365.48	6.58	-68.42
CC[N@H+](CC1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1)C(C)C	REAL300003575432	0	54	0.0	-77.05	388.74	9.97	-67.08
CC[N@@H+](CC1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1)C(C)C	REAL300003575432	1	54	0.0	-77.50	383.11	9.71	-67.79
CC(C)(C)[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003575447	0	49	0.0	-64.69	368.73	9.40	-55.29
CC(C)(C)[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003575447	1	49	0.0	-65.44	368.75	9.41	-56.03
CC(C)(C)[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300003575448	0	50	0.0	-74.41	369.39	8.91	-65.50
CC(C)(C)[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300003575469	0	53	0.0	-66.14	362.34	6.87	-59.27
CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@H+](C)CC1=CC=CC=C1	REAL300003575472	0	48	0.0	-58.94	362.20	9.00	-49.94
CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@@H+](C)CC1=CC=CC=C1	REAL300003575472	1	48	0.0	-61.22	360.50	9.04	-52.18
CC(C)(C)[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003575479	0	55	0.0	-60.36	403.00	11.29	-49.07
CC(C)(C)[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003575479	1	55	0.0	-69.84	410.85	11.05	-58.79
CCC[NH+](CCC)CCCC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300003575499	0	53	0.0	-69.06	384.64	8.98	-60.08
CC(C)(C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300003575514	0	49	0.0	-80.79	368.58	9.67	-71.12
CC(C)(C)[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300003575519	0	52	0.0	-73.97	385.32	10.38	-63.59
CCN1CCC([NH+]2CCC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC2)CC1	REAL300003575525	0	60	0.0	-71.44	420.97	7.81	-63.63
CC1C[NH+](CC2=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC(C)O1	REAL300003575531	1	56	0.0	-83.40	418.63	9.41	-73.99
CC(C)(C)[C@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003575541	1	53	0.0	-77.09	393.15	9.51	-67.58
CC(C)(C)[C@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003575541	1	53	0.0	-76.11	401.55	9.52	-66.59
CC1=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=NN1C1=CC=[NH+]C=C1	REAL300003575555	1	43	0.0	-78.95	341.37	6.91	-72.04
CC(C)(C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300003575558	0	52	0.0	-81.16	385.32	10.38	-70.78
CC(C)(C)[C@H](NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300003575568	1	45	0.0	-76.98	350.62	7.10	-69.88
C[NH+](C)CCC1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300003575569	0	48	0.0	-84.38	366.24	9.37	-75.01
CC(C)(C)[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003575572	1	50	0.0	-68.00	379.68	9.04	-58.96
CC(C)(C)[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003575572	1	50	0.0	-77.72	379.74	9.04	-68.68
CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003575580	0	58	0.0	-55.05	423.86	11.49	-43.56
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300003575605	0	48	0.0	-62.73	366.34	9.44	-53.29
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300003575605	1	48	0.0	-62.72	366.35	9.44	-53.28
COCCOCC[N@H+](C)CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300003575606	0	52	0.0	-67.28	395.38	5.61	-61.67
COCCOCC[N@@H+](C)CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300003575606	1	52	0.0	-67.15	395.40	5.61	-61.54
CC(C)(C)[C@H](NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003575612	0	57	0.0	-73.87	421.52	9.13	-64.74
CC(C)[NH+]1CCN(CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300003575638	0	53	0.0	-73.37	377.45	5.78	-67.59
CC(C)N1CC[NH+](CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300003575638	1	53	0.0	-64.60	377.27	5.99	-58.61
CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300003575639	0	56	0.0	-70.93	403.40	7.04	-63.89
CC(C)N1CC[NH+](CCCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300003575639	1	56	0.0	-69.68	400.38	6.76	-62.92
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC2)=C1	REAL300003575643	0	57	0.0	-69.94	421.42	8.99	-60.95
CC(C)(C)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003575644	0	54	0.0	-67.99	398.40	8.36	-59.63
CC(C)(C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003575647	0	51	0.0	-67.78	381.67	8.45	-59.33
CC(C)(C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003575647	1	51	0.0	-65.91	381.58	8.36	-57.55
CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003575651	1	49	0.0	-60.71	362.24	9.56	-51.15
CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)[N@H+]1CCC2=CC=CC=C2C1	REAL300003575651	1	49	0.0	-58.31	360.66	9.58	-48.73
CC(C)(C)[C@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003575668	0	52	0.0	-72.88	390.29	10.14	-62.74
CC(C)(C)[C@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003575668	1	52	0.0	-73.34	390.16	10.16	-63.18
CC(C)(C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003575685	0	52	0.0	-69.34	394.76	10.25	-59.09
CC(C)(C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003575685	1	52	0.0	-65.70	393.13	10.28	-55.42
CC(C)(C)[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300003575687	0	53	0.0	-68.22	397.11	7.81	-60.41
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC1	REAL300003575709	1	52	0.0	-73.67	387.40	8.59	-65.08
CC(C)(C)[C@H](NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003575710	0	52	0.0	-67.50	372.52	8.85	-58.65
CC(C)(C)[C@H](NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003575710	1	52	0.0	-64.51	371.15	8.96	-55.55
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C2)CC1	REAL300003575728	0	54	0.0	-76.35	404.05	7.92	-68.43
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300003575729	0	54	0.0	-79.36	403.31	7.99	-71.37
CN1CC[NH+](CC2=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300003575729	1	54	0.0	-81.90	401.84	7.83	-74.07
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300003575730	0	55	0.0	-80.41	408.75	9.66	-70.75
CC(C)(C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300003575783	0	56	0.0	-83.24	416.99	7.69	-75.55
CC(C)(C)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003575785	0	52	0.0	-62.28	382.09	10.39	-51.89
CC(C)(C)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003575785	1	52	0.0	-59.71	380.75	10.43	-49.28
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1N2	REAL300003575865	1	50	0.0	-81.42	378.56	8.96	-72.46
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1N2	REAL300003575865	1	50	0.0	-82.11	379.70	8.97	-73.14
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)O1	REAL300003575903	0	48	0.0	-73.58	365.95	8.21	-65.37
CC1=CC=C(N2CCC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)CC2)[NH+]=C1	REAL300003575905	1	51	0.0	-71.21	380.58	8.13	-63.08
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CC1	REAL300003575908	0	57	0.0	-84.16	413.38	8.86	-75.30
CC(C)(C)[C@H](NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003575915	1	40	0.0	-78.69	326.52	6.44	-72.25
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300003575939	0	52	0.0	-69.85	389.34	9.99	-59.86
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300003575939	1	52	0.0	-74.12	391.70	10.16	-63.96
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300003575954	0	53	0.0	-81.77	408.09	9.50	-72.27
CC(C)(C)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300003575966	0	49	0.0	-76.72	372.30	8.59	-68.13
C[N@@H+]1CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C(F)(F)F)C1	REAL300003576210	0	42	0.0	-79.24	329.96	6.76	-72.48
C[N@H+]1CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C(F)(F)F)C1	REAL300003576210	1	42	0.0	-75.50	330.90	6.80	-68.70
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300003576497	0	48	0.0	-77.31	367.20	9.39	-67.92
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300003576500	0	49	0.0	-81.73	373.55	8.32	-73.41
CC(C)(C)[C@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003576560	0	55	0.0	-71.71	406.25	11.01	-60.70
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CCO1	REAL300003576562	1	53	0.0	-83.10	391.12	8.70	-74.40
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)CCO1	REAL300003576562	1	53	0.0	-83.17	391.17	8.70	-74.47
C=C(Cl)CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003577692	0	47	0.0	-68.62	385.46	10.25	-58.37
C=C(Cl)CC(NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300003578994	0	41	0.0	-72.11	335.14	7.80	-64.31
C=C(Cl)CC(NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C(=O)[O-]	REAL300003579014	1	39	0.0	-57.68	333.24	7.75	-49.93
C=C(Cl)CC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300003579072	1	46	0.0	-69.07	393.43	7.98	-61.09
C=C(Cl)CC(NC(=O)C(C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300003579073	1	42	0.0	-69.24	338.71	4.84	-64.40
C=C(Cl)CC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003579143	0	50	0.0	-74.10	418.96	9.75	-64.35
C=C(Cl)CC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003579149	0	50	0.0	-74.68	419.51	12.14	-62.54
C=C(Cl)CC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003579149	1	50	0.0	-74.43	419.77	12.08	-62.35
C=C(Cl)CC(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300003579219	0	46	0.0	-65.46	346.42	8.20	-57.26
C=C(Cl)CC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300003579221	0	46	0.0	-66.07	363.27	8.56	-57.51
C=C(Cl)CC(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300003579221	1	46	0.0	-66.34	364.11	8.54	-57.80
C=C(Cl)CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300003579283	0	40	0.0	-78.98	354.84	7.58	-71.40
C=C(Cl)CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300003579301	0	48	0.0	-72.59	376.62	7.26	-65.33
C=C(Cl)CC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300003579326	1	44	0.0	-73.64	363.13	6.58	-67.06
C=C(Cl)CC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300003579327	0	49	0.0	-77.61	391.56	10.09	-67.52
C=C(Cl)CC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300003579327	1	49	0.0	-78.24	383.19	9.60	-68.64
C=C(Cl)CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003579343	0	44	0.0	-65.55	368.57	9.38	-56.17
C=C(Cl)CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003579343	1	44	0.0	-66.85	368.84	9.32	-57.53
C=C(Cl)CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300003579344	0	45	0.0	-68.36	364.71	8.64	-59.72
C=C(Cl)CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300003579367	0	48	0.0	-63.01	362.21	6.89	-56.12
C=C(Cl)CC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003579370	0	43	0.0	-52.19	359.64	9.03	-43.16
C=C(Cl)CC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003579370	1	43	0.0	-57.69	359.64	8.98	-48.71
C=C(Cl)CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003579377	0	50	0.0	-52.04	401.39	11.30	-40.74
C=C(Cl)CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003579377	1	50	0.0	-55.75	400.82	11.19	-44.56
C=C(Cl)CC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300003579393	0	39	0.0	-73.48	338.60	6.69	-66.79
C=C(Cl)CC(NC(=O)CCC[NH+](CCC)CCC)C(=O)[O-]	REAL300003579400	0	48	0.0	-63.89	382.98	8.92	-54.97
C=C(Cl)CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300003579418	0	44	0.0	-81.15	367.77	9.51	-71.64
C=C(Cl)CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300003579423	0	47	0.0	-74.18	385.41	10.27	-63.91
C=C(Cl)CC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300003579429	0	55	0.0	-64.78	419.52	7.99	-56.79
C=C(Cl)CC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300003579435	1	51	0.0	-85.01	417.85	9.36	-75.65
C=C(Cl)CC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003579445	1	48	0.0	-78.74	393.17	9.43	-69.31
C=C(Cl)CC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003579445	1	48	0.0	-75.95	400.03	9.46	-66.49
C=C(Cl)CC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003579459	1	38	0.0	-79.17	341.44	6.82	-72.35
C=C(Cl)CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300003579462	0	47	0.0	-81.42	384.27	10.29	-71.13
C=C(Cl)CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300003579473	1	40	0.0	-74.01	348.06	7.16	-66.85
C=C(Cl)CC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003579474	0	43	0.0	-85.65	365.50	9.33	-76.32
C=C(Cl)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003579479	1	45	0.0	-73.86	372.66	8.79	-65.07
C=C(Cl)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003579479	1	45	0.0	-63.94	371.96	8.85	-55.09
C=C(Cl)CC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003579488	0	53	0.0	-51.08	417.53	11.40	-39.68
C=C(Cl)CC(NC(=O)C(C)[NH+]1CCSCC1)C(=O)[O-]	REAL300003579513	1	38	0.0	-55.16	319.18	6.76	-48.40
C=C(Cl)CC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003579520	0	43	0.0	-62.59	364.83	9.38	-53.21
C=C(Cl)CC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003579520	1	43	0.0	-56.77	364.03	9.44	-47.33
C=C(Cl)CC(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300003579521	0	47	0.0	-60.69	393.02	5.61	-55.08
C=C(Cl)CC(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300003579521	1	47	0.0	-66.01	393.04	5.61	-60.40
C=C(Cl)CC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300003579524	0	41	0.0	-57.53	325.47	5.13	-52.40
C=C(Cl)CC(NC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300003579524	1	41	0.0	-68.20	323.43	5.17	-63.03
C=C(Cl)CC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003579529	0	52	0.0	-72.51	419.16	9.12	-63.39
C=C(Cl)CC(NC(=O)C[N@@H+](C)CCCCCC)C(=O)[O-]	REAL300003579530	0	45	0.0	-54.09	368.37	8.81	-45.28
C=C(Cl)CC(NC(=O)C[N@H+](C)CCCCCC)C(=O)[O-]	REAL300003579530	1	45	0.0	-60.91	369.42	8.69	-52.22
C=C(Cl)CC(NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300003579552	0	38	0.0	-56.76	325.37	7.30	-49.46
C=C(Cl)CC(NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300003579552	1	38	0.0	-65.24	325.03	7.16	-58.08
C=C(Cl)CC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003579562	0	48	0.0	-66.78	380.25	6.16	-60.62
C=C(Cl)CC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003579562	1	48	0.0	-65.14	376.52	5.95	-59.19
C=C(Cl)CC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003579563	0	51	0.0	-70.67	402.54	6.92	-63.75
C=C(Cl)CC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003579563	1	51	0.0	-68.35	398.02	6.75	-61.60
C=C(Cl)CC(NC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300003579564	0	41	0.0	-52.65	329.39	7.83	-44.82
C=C(Cl)CC(NC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300003579564	1	41	0.0	-54.48	330.39	7.78	-46.70
C=C(Cl)CC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300003579566	0	40	0.0	-78.24	349.15	6.46	-71.78
C=C(Cl)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300003579569	0	52	0.0	-68.83	419.06	8.99	-59.84
C=C(Cl)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003579571	0	49	0.0	-69.75	398.50	8.28	-61.47
C=C(Cl)CC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003579574	0	46	0.0	-68.05	380.92	8.41	-59.64
C=C(Cl)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003579574	1	46	0.0	-63.74	380.63	8.40	-55.34
C=C(Cl)CC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003579579	1	44	0.0	-59.52	359.90	9.54	-49.98
C=C(Cl)CC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003579579	1	44	0.0	-51.98	360.11	9.56	-42.42
C=C(Cl)CC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003579599	0	47	0.0	-73.13	388.03	10.11	-63.02
C=C(Cl)CC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003579599	1	47	0.0	-73.75	391.16	10.18	-63.57
C=C(Cl)CC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003579610	0	40	0.0	-84.73	349.54	6.48	-78.25
C=C(Cl)CC(NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300003579611	0	40	0.0	-56.59	346.44	6.36	-50.23
C=C(Cl)CC(NC(=O)CC(C)N1C=C[NH+]=C1CC)C(=O)[O-]	REAL300003579612	1	41	0.0	-56.02	350.61	8.27	-47.75
C=C(Cl)CC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003579624	0	47	0.0	-67.78	386.98	10.39	-57.39
C=C(Cl)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003579624	1	47	0.0	-63.90	392.17	10.32	-53.58
C=C(Cl)CC(NC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300003579628	0	41	0.0	-66.53	337.01	5.66	-60.87
C=C(Cl)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300003579629	0	48	0.0	-69.20	396.22	7.68	-61.52
C=C(Cl)CC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300003579666	1	47	0.0	-74.33	382.44	8.43	-65.90
C=C(Cl)CC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003579667	0	47	0.0	-61.53	370.35	8.90	-52.63
C=C(Cl)CC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003579667	1	47	0.0	-61.74	370.22	8.87	-52.87
C=C(Cl)CC(NC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300003579682	0	41	0.0	-51.30	332.78	7.94	-43.36
C=C(Cl)CC(NC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300003579682	1	41	0.0	-54.34	326.53	7.49	-46.85
C=C(Cl)CC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300003579694	0	49	0.0	-74.74	402.53	7.85	-66.89
C=C(Cl)CC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300003579695	0	49	0.0	-78.92	400.75	7.72	-71.20
C=C(Cl)CC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300003579695	1	49	0.0	-82.68	401.93	7.74	-74.94
C=C(Cl)CC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300003579696	0	50	0.0	-79.71	408.01	9.60	-70.11
C=C(Cl)CC(NC(=O)C1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003579702	0	43	0.0	-63.03	340.13	7.61	-55.42
C=C(Cl)CC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300003579780	0	51	0.0	-85.05	416.25	7.64	-77.41
C=C(Cl)CC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300003579784	0	40	0.0	-73.47	343.06	8.48	-64.99
C=C(Cl)CC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003579785	0	47	0.0	-59.85	386.04	10.19	-49.66
C=C(Cl)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003579785	1	47	0.0	-60.76	385.96	10.18	-50.58
C=C(Cl)CC(NC(=O)CCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300003579829	0	45	0.0	-67.03	362.34	5.49	-61.54
C=C(Cl)CC(NC(=O)CC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300003579829	1	45	0.0	-64.77	363.47	5.63	-59.14
C=C(Cl)CC(NC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300003579836	1	41	0.0	-60.21	350.29	8.14	-52.07
C=C(Cl)CC(NC(=O)C(C)[NH+]1CCCCCC1)C(=O)[O-]	REAL300003579861	0	43	0.0	-50.13	335.99	7.77	-42.36
C=C(Cl)CC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003579888	1	45	0.0	-81.18	378.64	8.86	-72.32
C=C(Cl)CC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003579888	1	45	0.0	-78.28	378.05	8.90	-69.38
C=C(Cl)CC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300003579928	0	43	0.0	-74.53	366.04	8.11	-66.42
C=C(Cl)CC(NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300003579929	0	43	0.0	-71.40	357.02	8.25	-63.15
C=C(Cl)CC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300003579930	1	46	0.0	-65.84	378.69	8.15	-57.69
C=C(Cl)CC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003579931	1	40	0.0	-62.02	341.52	8.58	-53.44
C=C(Cl)CC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003579931	1	40	0.0	-55.79	341.32	8.65	-47.14
C=C(Cl)CC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300003579934	0	52	0.0	-77.51	411.06	8.85	-68.66
C=C(Cl)CC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003579944	1	35	0.0	-77.15	324.15	6.41	-70.74
C=C(Cl)CC(NC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300003579964	1	36	0.0	-76.60	324.02	6.02	-70.58
C=C(Cl)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003579970	0	47	0.0	-75.89	390.36	9.91	-65.98
C=C(Cl)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003579970	1	47	0.0	-66.81	381.66	9.79	-57.02
C=C(Cl)CC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003579988	0	48	0.0	-78.08	407.14	9.52	-68.56
C=C(Cl)CC(NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300003579999	0	41	0.0	-72.85	344.61	7.15	-65.70
C=C(Cl)CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300003580003	0	44	0.0	-76.33	370.78	8.52	-67.81
C=C(Cl)CC(NC(=O)C1CCC[N@@H+](CCC)C1)C(=O)[O-]	REAL300003580131	0	43	0.0	-61.38	348.63	8.03	-53.35
C=C(Cl)CC(NC(=O)C1CCC[N@H+](CCC)C1)C(=O)[O-]	REAL300003580131	1	43	0.0	-60.02	348.64	8.01	-52.01
C=C(Cl)CC(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300003580157	1	41	0.0	-53.75	338.45	4.24	-49.51
C=C(Cl)CC(NC(=O)C1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300003580317	0	43	0.0	-59.91	343.78	7.79	-52.12
C=C(Cl)CC(NC(=O)C1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300003580317	1	43	0.0	-49.85	336.63	8.04	-41.81
C=C(Cl)CC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003580318	0	37	0.0	-71.21	328.61	6.80	-64.41
C=C(Cl)CC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003580318	1	37	0.0	-71.78	328.94	6.81	-64.97
C=C(Cl)CC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300003580672	0	43	0.0	-76.64	366.34	9.26	-67.38
C=C(Cl)CC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003580677	0	44	0.0	-81.73	372.79	8.26	-73.47
C=C(Cl)CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003580752	0	50	0.0	-66.56	405.39	10.88	-55.68
C=C(Cl)CC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003580754	1	48	0.0	-79.39	390.15	8.73	-70.66
C=C(Cl)CC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003580754	1	48	0.0	-83.32	390.42	8.65	-74.67
C=C(Cl)CC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)[O-]	REAL300003580775	0	43	0.0	-56.75	337.99	7.62	-49.13
C=C(Cl)CC(NC(=O)C1=CN2C(C)=[NH+]C=C2C=C1)C(=O)[O-]	REAL300003580780	0	35	0.0	-65.71	316.45	8.26	-57.45
C=C(Cl)CC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300003580818	0	46	0.0	-66.23	367.07	8.65	-57.58
C=C(Cl)CC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300003580818	1	46	0.0	-57.96	359.77	8.88	-49.08
C=C(Cl)CC(NC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)[O-]	REAL300003580822	1	37	0.0	-77.21	329.44	6.79	-70.42
O=C([O-])C12CCC(CC1)N2C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003581966	0	51	0.0	-91.20	373.82	12.09	-79.11
CC1=[NH+]C=C2CCC(C(=O)N3C4CCC3(C(=O)[O-])CC4)CN12	REAL300003583235	1	43	0.0	-73.18	319.98	9.53	-63.65
CC1=NC(C[NH+]2CCC(C(=O)N3C4CCC3(C(=O)[O-])CC4)CC2)=CS1	REAL300003583287	1	50	0.0	-89.01	381.16	9.85	-79.16
C[NH+](C)CCOC1=CC=C(CCC(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300003583347	0	54	0.0	-92.23	412.55	11.85	-80.38
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300003583353	0	54	0.0	-93.10	415.05	13.94	-79.16
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300003583353	1	54	0.0	-90.88	412.24	13.86	-77.02
C[NH+](C)CC1(C(=O)N2C3CCC2(C(=O)[O-])CC3)CCCCC1	REAL300003583417	0	50	0.0	-80.04	328.81	10.10	-69.94
C[N@H+](CCC(=O)N1C2CCC1(C(=O)[O-])CC2)C1CCCCC1	REAL300003583419	0	50	0.0	-80.27	356.97	10.68	-69.59
C[N@@H+](CCC(=O)N1C2CCC1(C(=O)[O-])CC2)C1CCCCC1	REAL300003583419	1	50	0.0	-77.80	354.67	10.72	-67.08
O=C([O-])C12CCC(CC1)N2C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003583478	0	44	0.0	-97.36	347.82	9.45	-87.91
O=C([O-])C12CCC(CC1)N2C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003583497	0	52	0.0	-91.18	364.42	9.10	-82.08
O=C([O-])C12CCC(CC1)N2C(=O)CCCC[NH+]1CCOCC1	REAL300003583521	1	48	0.0	-87.47	356.52	8.70	-78.77
CC[N@H+](CC1=CC=C(C(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1)C(C)C	REAL300003583522	0	53	0.0	-96.50	377.55	11.61	-84.89
CC[N@@H+](CC1=CC=C(C(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1)C(C)C	REAL300003583522	1	53	0.0	-93.14	385.57	11.97	-81.17
O=C([O-])C12CCC(CC1)N2C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003583538	0	48	0.0	-77.24	357.75	11.40	-65.84
O=C([O-])C12CCC(CC1)N2C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003583538	1	48	0.0	-79.94	359.56	11.38	-68.56
O=C([O-])C12CCC(CC1)N2C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003583539	0	49	0.0	-91.53	352.24	10.36	-81.17
O=C([O-])C12CCC(CC1)N2C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003583561	0	52	0.0	-79.47	349.50	8.52	-70.95
CC(C(=O)N1C2CCC1(C(=O)[O-])CC2)[N@H+](C)CC1=CC=CC=C1	REAL300003583564	0	47	0.0	-74.16	351.86	10.92	-63.24
CC(C(=O)N1C2CCC1(C(=O)[O-])CC2)[N@@H+](C)CC1=CC=CC=C1	REAL300003583564	1	47	0.0	-75.43	352.59	10.97	-64.46
O=C([O-])C12CCC(CC1)N2C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003583572	0	54	0.0	-68.83	391.57	12.95	-55.88
O=C([O-])C12CCC(CC1)N2C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003583572	1	54	0.0	-65.47	389.90	12.94	-52.53
C[NH+](C)CC1=CC=C(C(=O)N2C3CCC2(C(=O)[O-])CC3)C=N1	REAL300003583589	0	43	0.0	-90.80	331.18	8.34	-82.46
CCC[NH+](CCC)CCCC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300003583596	0	52	0.0	-81.39	380.63	11.28	-70.11
O=C([O-])C12CCC(CC1)N2C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003583614	0	48	0.0	-96.96	359.56	11.34	-85.62
O=C([O-])C12CCC(CC1)N2C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003583619	0	51	0.0	-87.36	377.02	12.11	-75.25
CCN1CCC([NH+]2CCC(C(=O)N3C4CCC3(C(=O)[O-])CC4)CC2)CC1	REAL300003583625	0	59	0.0	-83.92	403.59	9.57	-74.35
CC1C[NH+](CC2=CC=C(C(=O)N3C4CCC3(C(=O)[O-])CC4)C=C2)CC(C)O1	REAL300003583632	1	55	0.0	-100.71	409.05	11.10	-89.61
O=C([O-])C12CCC(CC1)N2C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003583641	1	52	0.0	-94.90	385.94	11.28	-83.62
O=C([O-])C12CCC(CC1)N2C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003583641	1	52	0.0	-90.68	392.86	11.35	-79.33
CC1=C(C(=O)N2C3CCC2(C(=O)[O-])CC3)C=NN1C1=CC=[NH+]C=C1	REAL300003583656	1	42	0.0	-91.07	330.90	8.65	-82.42
O=C([O-])C12CCC(CC1)N2C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003583659	0	51	0.0	-97.73	376.88	12.07	-85.66
O=C([O-])C12CCC(CC1)N2C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003583669	1	44	0.0	-84.48	336.16	9.38	-75.10
C[NH+](C)CCC1=CC=C(C(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300003583670	0	47	0.0	-101.26	356.67	11.07	-90.19
CC(C(=O)N1C2CCC1(C(=O)[O-])CC2)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003583684	0	57	0.0	-70.27	414.97	13.46	-56.81
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300003583711	0	47	0.0	-70.90	355.41	11.44	-59.46
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300003583711	1	47	0.0	-70.90	355.43	11.44	-59.46
COCCOCC[N@H+](C)CCC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300003583712	0	51	0.0	-78.99	386.70	7.74	-71.25
COCCOCC[N@@H+](C)CCC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300003583712	1	51	0.0	-80.57	386.75	7.74	-72.83
O=C([O-])C12CCC(CC1)N2C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003583719	0	56	0.0	-85.85	412.55	11.26	-74.59
CC(C)[NH+]1CCN(CCC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300003583750	0	52	0.0	-82.15	371.63	8.28	-73.87
CC(C)[NH+]1CCN(CCCC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300003583751	0	55	0.0	-80.38	393.11	9.10	-71.28
CC(C)N1CC[NH+](CCCC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300003583751	1	55	0.0	-81.93	391.42	8.88	-73.05
C[NH+](C)CCN1C=C(C(=O)N2C3CCC2(C(=O)[O-])CC3)C=N1	REAL300003583753	0	44	0.0	-91.66	337.73	8.29	-83.37
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C4CCC3(C(=O)[O-])CC4)CC2)=C1	REAL300003583756	0	56	0.0	-82.52	412.75	11.10	-71.42
O=C([O-])C12CCC(CC1)N2C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003583758	0	53	0.0	-82.78	390.55	10.42	-72.36
O=C([O-])C12CCC(CC1)N2C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003583761	0	50	0.0	-77.85	368.69	10.28	-67.57
O=C([O-])C12CCC(CC1)N2C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003583761	1	50	0.0	-71.64	364.50	10.25	-61.39
CC(C(=O)N1C2CCC1(C(=O)[O-])CC2)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003583766	1	48	0.0	-70.93	354.24	11.31	-59.62
CC(C(=O)N1C2CCC1(C(=O)[O-])CC2)[N@H+]1CCC2=CC=CC=C2C1	REAL300003583766	1	48	0.0	-69.88	349.26	11.21	-58.67
CC(C(=O)N1C2CCC1(C(=O)[O-])CC2)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300003583768	1	53	0.0	-73.21	383.67	9.84	-63.37
O=C([O-])C12CCC(CC1)N2C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003583785	0	51	0.0	-85.61	380.58	12.19	-73.42
O=C([O-])C12CCC(CC1)N2C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003583785	1	51	0.0	-87.23	384.23	12.27	-74.96
C[NH+](C)CCN1C=CC(C(=O)N2C3CCC2(C(=O)[O-])CC3)=N1	REAL300003583796	0	44	0.0	-101.98	337.72	8.83	-93.15
C[NH+](C)CCN1N=CC=C1C(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300003583797	0	44	0.0	-62.85	332.82	8.18	-54.67
CCC1=[NH+]C=CN1C(C)CC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300003583798	1	45	0.0	-71.68	342.21	10.23	-61.45
C[N@@H+]1CCCC1C1=CC(C(=O)N2C3CCC2(C(=O)[O-])CC3)=NN1	REAL300003583801	1	45	0.0	-92.47	340.96	8.36	-84.11
C[N@H+]1CCCC1C1=CC(C(=O)N2C3CCC2(C(=O)[O-])CC3)=NN1	REAL300003583801	1	45	0.0	-90.86	334.21	8.07	-82.79
O=C([O-])C12CCC(CC1)N2C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003583809	0	51	0.0	-80.00	382.34	12.13	-67.87
O=C([O-])C12CCC(CC1)N2C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003583809	1	51	0.0	-67.43	373.84	12.15	-55.28
O=C([O-])C12CCC(CC1)N2C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003583813	0	52	0.0	-82.30	388.78	9.87	-72.43
O=C([O-])C12CCC(CC1)N2C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003583846	0	51	0.0	-77.45	359.96	10.79	-66.66
O=C([O-])C12CCC(CC1)N2C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003583846	1	51	0.0	-81.66	359.64	10.75	-70.91
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C4CCC3(C(=O)[O-])CC4)=C2)CC1	REAL300003583871	0	53	0.0	-87.62	393.99	9.67	-77.95
C[NH+]1CCN(CC2=CC=C(C(=O)N3C4CCC3(C(=O)[O-])CC4)C=C2)CC1	REAL300003583872	0	53	0.0	-95.47	393.10	9.50	-85.97
CN1CC[NH+](CC2=CC=C(C(=O)N3C4CCC3(C(=O)[O-])CC4)C=C2)CC1	REAL300003583872	1	53	0.0	-99.29	392.26	9.52	-89.77
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300003583873	0	54	0.0	-97.54	399.61	11.33	-86.21
O=C([O-])C12CCC(CC1)N2C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003583944	0	55	0.0	-103.45	408.09	9.33	-94.12
C[NH+](C)CC1=CC=CC(C(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300003583948	0	44	0.0	-86.73	335.53	10.26	-76.47
O=C([O-])C12CCC(CC1)N2C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003583949	0	51	0.0	-70.94	368.62	12.07	-58.87
O=C([O-])C12CCC(CC1)N2C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003583949	1	51	0.0	-70.96	368.73	12.08	-58.88
CC[NH+]1CCN(CCC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300003583990	0	49	0.0	-85.46	353.72	7.61	-77.85
CCN1CC[NH+](CCC(=O)N2C3CCC2(C(=O)[O-])CC3)CC1	REAL300003583990	1	49	0.0	-78.93	357.16	7.75	-71.18
CC(C)C1=[NH+]C=CN1CCC(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300003583996	1	45	0.0	-73.18	343.99	10.25	-62.93
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C4CCC3(C(=O)[O-])CC4)=CC=C1N2	REAL300003584039	1	49	0.0	-94.31	369.73	10.61	-83.70
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C4CCC3(C(=O)[O-])CC4)=CC=C1N2	REAL300003584039	1	49	0.0	-94.49	369.21	10.55	-83.94
CC[NH+](CC)CC1=CC=C(C(=O)N2C3CCC2(C(=O)[O-])CC3)O1	REAL300003584079	0	47	0.0	-90.41	352.43	10.34	-80.07
CC1=CC=C(N2CCC(C(=O)N3C4CCC3(C(=O)[O-])CC4)CC2)[NH+]=C1	REAL300003584080	1	50	0.0	-86.58	368.57	9.93	-76.65
C[N@H+](CC(=O)N1C2CCC1(C(=O)[O-])CC2)CC1=CC=CC=C1	REAL300003584081	1	44	0.0	-72.84	332.93	10.59	-62.25
C[N@@H+](CC(=O)N1C2CCC1(C(=O)[O-])CC2)CC1=CC=CC=C1	REAL300003584081	1	44	0.0	-72.85	332.95	10.59	-62.26
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C4CCC3(C(=O)[O-])CC4)C=C2)CC1	REAL300003584084	0	56	0.0	-99.11	403.40	10.62	-88.49
O=C([O-])C12CCC(CC1)N2C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003584092	1	39	0.0	-89.52	312.73	8.22	-81.30
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300003584118	0	51	0.0	-88.51	382.80	12.01	-76.50
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C2CCC1(C(=O)[O-])CC2	REAL300003584118	1	51	0.0	-79.42	378.60	12.04	-67.38
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300003584135	0	52	0.0	-98.77	399.56	11.52	-87.25
O=C([O-])C12CCC(CC1)N2C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003584149	0	48	0.0	-91.51	358.12	10.76	-80.75
C[N@@H+]1CC(C(=O)N2C3CCC2(C(=O)[O-])CC3)C(C(F)(F)F)C1	REAL300003584433	0	41	0.0	-79.45	305.65	8.84	-70.61
C[N@H+]1CC(C(=O)N2C3CCC2(C(=O)[O-])CC3)C(C(F)(F)F)C1	REAL300003584433	1	41	0.0	-79.77	303.39	8.25	-71.52
C[NH+](C)CCC1=CC=CC(C(=O)N2C3CCC2(C(=O)[O-])CC3)=C1	REAL300003584765	0	47	0.0	-89.30	357.95	11.10	-78.20
C[NH+](C)CCOC1=CC=C(C(=O)N2C3CCC2(C(=O)[O-])CC3)C=C1	REAL300003584770	0	48	0.0	-98.74	363.98	10.00	-88.74
O=C([O-])C12CCC(CC1)N2C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003584838	0	54	0.0	-77.38	398.28	12.96	-64.42
CC1C[N@H+](CC2=CC=C(C(=O)N3C4CCC3(C(=O)[O-])CC4)C=C2)CCO1	REAL300003584840	1	52	0.0	-102.71	380.01	10.31	-92.40
CC1C[N@@H+](CC2=CC=C(C(=O)N3C4CCC3(C(=O)[O-])CC4)C=C2)CCO1	REAL300003584840	1	52	0.0	-99.81	382.97	10.43	-89.38
CC(C)C[N@@H+]1CCCC(C(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300003584899	0	50	0.0	-79.27	354.39	10.54	-68.73
CC(C)C[N@H+]1CCCC(C(=O)N2C3CCC2(C(=O)[O-])CC3)C1	REAL300003584899	1	50	0.0	-74.97	353.77	10.55	-64.42
CC1=CC=C(CCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300003584986	0	52	0.0	-48.72	395.81	10.09	-38.63
CC1=CC=C(CCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300003584986	1	52	0.0	-49.34	396.49	10.12	-39.22
C=CCCCCCCCCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003585110	0	58	0.0	-47.70	441.59	11.20	-36.50
C=CCCCCCCCCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003585110	1	58	0.0	-47.08	440.95	11.17	-35.91
CCOCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCC2=CC=CC=C21	REAL300003585247	0	57	0.0	-48.21	410.70	11.32	-36.89
CCOCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCC2=CC=CC=C21	REAL300003585247	1	57	0.0	-47.08	423.08	12.27	-34.81
CC(C)(C)C1CC2=CC=CC=C2N(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003585353	0	56	0.0	-48.29	396.26	11.92	-36.37
CC(C)(C)C1CC2=CC=CC=C2N(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003585353	1	56	0.0	-48.95	396.90	11.94	-37.01
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300003585471	0	48	0.0	-48.12	364.06	7.35	-40.77
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)N[C@@H]1CCO[C@H]1C1=CC=CC=C1	REAL300003585471	1	48	0.0	-51.19	365.22	7.78	-43.41
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C1	REAL300003585598	0	48	0.0	-52.70	387.99	8.31	-44.39
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CCO[C@H]2C2=CC=C(Cl)C=C2)C1	REAL300003585598	1	48	0.0	-52.18	388.25	8.31	-43.87
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300003585690	1	41	0.0	-47.72	318.27	6.29	-41.43
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300003585690	1	41	0.0	-46.86	319.92	6.71	-40.15
COC1=CC=C(N(CC2CC2)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003585789	0	51	0.0	-47.98	392.49	10.65	-37.33
COC1=CC=C(N(CC2CC2)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003585789	1	51	0.0	-47.82	387.06	10.69	-37.13
CCC1=CC=C(N(CC2CC2)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003585897	0	53	0.0	-46.21	405.86	12.80	-33.41
CCC1=CC=C(N(CC2CC2)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003585897	1	53	0.0	-46.04	400.43	12.84	-33.20
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2CC2)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003585996	0	50	0.0	-49.52	402.68	12.39	-37.13
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2CC2)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003585996	1	50	0.0	-48.78	398.75	12.46	-36.32
C=C(C)CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003587027	0	50	0.0	-74.56	390.13	10.43	-64.13
C=C(C)CC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300003588257	1	49	0.0	-75.21	397.39	8.15	-67.06
C=C(C)CC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003588302	0	53	0.0	-78.39	422.07	9.92	-68.47
C=C(C)CC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003588307	0	53	0.0	-78.75	424.42	12.25	-66.50
C=C(C)CC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003588307	1	53	0.0	-77.56	424.31	12.21	-65.35
C=C(C)CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300003588418	0	43	0.0	-78.86	359.43	7.72	-71.14
C=C(C)CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300003588436	0	51	0.0	-78.34	380.24	7.42	-70.92
C=C(C)CC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300003588454	0	52	0.0	-80.74	389.33	10.02	-70.72
C=C(C)CC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300003588454	1	52	0.0	-79.55	387.74	9.97	-69.58
C=C(C)CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003588469	0	47	0.0	-65.20	373.21	9.45	-55.75
C=C(C)CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003588469	1	47	0.0	-65.11	372.59	9.51	-55.60
C=C(C)CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300003588470	0	48	0.0	-73.19	367.57	8.87	-64.32
C=C(C)CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300003588491	0	51	0.0	-69.41	366.88	7.09	-62.32
C=C(C)CC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003588494	0	46	0.0	-58.09	363.55	9.19	-48.90
C=C(C)CC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003588494	1	46	0.0	-57.59	365.05	9.06	-48.53
C=C(C)CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003588500	0	53	0.0	-56.73	404.49	11.47	-45.26
C=C(C)CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003588500	1	53	0.0	-68.88	413.64	11.11	-57.77
C=C(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300003588535	0	47	0.0	-79.96	371.26	9.68	-70.28
C=C(C)CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300003588539	0	50	0.0	-73.55	389.16	10.47	-63.08
C=C(C)CC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300003588545	0	58	0.0	-71.37	424.44	8.12	-63.25
C=C(C)CC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300003588551	1	54	0.0	-84.98	423.27	9.46	-75.52
C=C(C)CC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003588561	1	51	0.0	-77.72	397.82	9.55	-68.17
C=C(C)CC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003588561	1	51	0.0	-79.13	403.90	9.70	-69.43
C=C(C)CC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003588575	1	41	0.0	-79.01	346.02	6.96	-72.05
C=C(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300003588578	0	50	0.0	-81.42	389.68	10.37	-71.05
C=C(C)CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300003588588	1	43	0.0	-77.70	351.40	7.28	-70.42
C=C(C)CC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003588589	0	46	0.0	-85.86	370.92	9.41	-76.45
C=C(C)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003588592	1	48	0.0	-57.25	373.54	9.20	-48.05
C=C(C)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003588592	1	48	0.0	-74.42	374.96	8.98	-65.44
C=C(C)CC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003588600	0	56	0.0	-57.43	420.86	11.53	-45.90
C=C(C)CC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003588626	0	46	0.0	-60.26	368.58	9.57	-50.69
C=C(C)CC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003588626	1	46	0.0	-61.88	366.07	9.85	-52.03
C=C(C)CC(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300003588627	0	50	0.0	-65.30	395.06	6.02	-59.28
C=C(C)CC(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300003588627	1	50	0.0	-66.04	398.46	5.71	-60.33
C=C(C)CC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003588633	0	55	0.0	-71.79	423.48	9.25	-62.54
C=C(C)CC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003588657	0	51	0.0	-71.70	383.34	6.35	-65.35
C=C(C)CC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003588657	1	51	0.0	-64.12	381.11	6.09	-58.03
C=C(C)CC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003588658	0	54	0.0	-69.85	406.29	7.10	-62.75
C=C(C)CC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003588658	1	54	0.0	-67.71	402.64	6.90	-60.81
C=C(C)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300003588662	0	55	0.0	-68.79	424.22	9.07	-59.72
C=C(C)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003588663	0	52	0.0	-67.51	402.25	8.46	-59.05
C=C(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003588666	0	49	0.0	-67.43	385.50	8.55	-58.88
C=C(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003588666	1	49	0.0	-65.71	385.16	8.44	-57.27
C=C(C)CC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003588670	1	47	0.0	-59.41	365.35	9.65	-49.76
C=C(C)CC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003588670	1	47	0.0	-58.28	364.78	9.76	-48.52
C=C(C)CC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003588686	0	50	0.0	-74.14	394.60	10.41	-63.73
C=C(C)CC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003588686	1	50	0.0	-73.06	395.74	10.32	-62.74
C=C(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003588703	0	50	0.0	-66.17	390.73	10.58	-55.59
C=C(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003588703	1	50	0.0	-65.48	396.96	10.37	-55.11
C=C(C)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300003588705	0	51	0.0	-68.08	400.80	7.82	-60.26
C=C(C)CC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300003588725	1	50	0.0	-80.75	387.11	8.61	-72.14
C=C(C)CC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003588726	0	50	0.0	-61.68	375.50	8.98	-52.70
C=C(C)CC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003588726	1	50	0.0	-66.72	372.19	9.27	-57.45
C=C(C)CC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300003588742	0	52	0.0	-74.78	406.01	8.03	-66.75
C=C(C)CC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300003588743	0	52	0.0	-78.61	406.20	7.81	-70.80
C=C(C)CC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300003588743	1	52	0.0	-82.02	406.51	7.88	-74.14
C=C(C)CC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300003588744	0	53	0.0	-79.53	409.60	9.42	-70.11
C=C(C)CC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300003588794	0	54	0.0	-84.97	421.69	7.73	-77.24
C=C(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003588796	0	50	0.0	-64.68	385.94	10.45	-54.23
C=C(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003588796	1	50	0.0	-65.94	389.06	10.36	-55.58
C=C(C)CC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003588874	1	48	0.0	-80.85	382.39	9.05	-71.80
C=C(C)CC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003588874	1	48	0.0	-81.02	382.48	9.15	-71.87
C=C(C)CC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300003588912	0	46	0.0	-73.02	369.51	8.29	-64.73
C=C(C)CC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300003588914	1	49	0.0	-71.51	382.03	8.27	-63.24
C=C(C)CC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300003588917	0	55	0.0	-81.35	413.09	9.27	-72.08
C=C(C)CC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003588924	1	38	0.0	-77.44	329.57	6.52	-70.92
C=C(C)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003588948	0	50	0.0	-70.71	394.04	10.23	-60.48
C=C(C)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003588948	1	50	0.0	-69.16	387.15	9.99	-59.17
C=C(C)CC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003588963	0	51	0.0	-82.29	411.81	9.71	-72.58
C=C(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300003588975	0	47	0.0	-74.78	374.55	8.72	-66.06
C=C(C)CC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003589209	0	40	0.0	-65.05	334.21	6.81	-58.24
C=C(C)CC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003589209	1	40	0.0	-66.97	333.74	6.86	-60.11
C=C(C)CC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300003589485	0	46	0.0	-76.10	370.09	9.46	-66.64
C=C(C)CC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003589488	0	47	0.0	-81.60	378.22	8.37	-73.23
C=C(C)CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003589546	0	53	0.0	-66.42	410.01	11.03	-55.39
C=C(C)CC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003589548	1	51	0.0	-84.79	392.32	8.94	-75.85
C=C(C)CC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003589548	1	51	0.0	-83.32	395.83	8.74	-74.58
CC(C)C(C)(CC1=CC=CC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003589669	0	55	0.0	-47.90	389.31	10.35	-37.55
CC(C)C(C)(CC1=CC=CC=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003589669	1	55	0.0	-49.50	387.88	10.45	-39.05
CCCN(CC1=CC=C(OC)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003589776	0	53	0.0	-45.16	397.91	10.02	-35.14
CCCN(CC1=CC=C(OC)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003589776	1	53	0.0	-46.97	398.66	10.48	-36.49
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)N[C@@H]1C[C@H]1C1=CSC=C1	REAL300003589860	0	41	0.0	-50.12	335.57	7.82	-42.30
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)N[C@@H]1C[C@H]1C1=CSC=C1	REAL300003589860	1	41	0.0	-49.31	328.87	7.82	-41.49
CC(C1CC1)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003589956	0	50	0.0	-47.65	359.47	11.21	-36.44
CC(C1CC1)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003589956	1	50	0.0	-47.91	376.09	11.60	-36.31
COC1=CC=CC(CC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300003590071	0	57	0.0	-47.82	422.18	11.02	-36.80
COC1=CC=CC(CC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300003590071	1	57	0.0	-45.31	414.70	10.55	-34.76
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1C2CC3COC1C3C2	REAL300003590162	0	46	0.0	-51.25	330.08	6.14	-45.11
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1C2CC3COC1C3C2	REAL300003590162	1	46	0.0	-49.69	335.86	6.11	-43.58
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2[C@H]3CC4=CC(Br)=CC=C4[C@@H]23)C1	REAL300003590260	0	45	0.0	-51.94	371.72	9.99	-41.95
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2[C@H]3CC4=CC(Br)=CC=C4[C@@H]23)C1	REAL300003590260	1	45	0.0	-51.20	371.03	9.97	-41.23
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=C(F)C=C2)C2CCCCC2)C1	REAL300003590360	0	56	0.0	-48.46	402.79	11.49	-36.97
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=C(F)C=C2)C2CCCCC2)C1	REAL300003590360	1	56	0.0	-49.97	412.49	11.25	-38.72
CC1(C)CCC(C)(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003590506	0	52	0.0	-46.23	362.59	8.90	-37.33
CC1(C)CCC(C)(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003590506	1	52	0.0	-43.55	355.10	8.46	-35.09
CC(C)CN(CCC1=CC=C(F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003590602	0	55	0.0	-49.31	418.32	12.54	-36.77
CC(C)CN(CCC1=CC=C(F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003590602	1	55	0.0	-49.96	410.14	12.45	-37.51
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3OC=CC3=C2)C1	REAL300003590671	0	40	0.0	-53.63	311.92	7.66	-45.97
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3OC=CC3=C2)C1	REAL300003590671	1	40	0.0	-50.81	311.09	7.22	-43.59
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC(C)=CC=C1C	REAL300003590762	0	52	0.0	-46.10	387.64	10.36	-35.74
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC(C)=CC=C1C	REAL300003590762	1	52	0.0	-47.37	377.66	10.05	-37.32
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCC1CCSC1	REAL300003590828	0	44	0.0	-48.13	334.06	6.98	-41.15
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCC1CCSC1	REAL300003590828	1	44	0.0	-51.35	335.97	7.43	-43.92
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2CC2)C2=CC=CC(F)=C2)C1	REAL300003590916	0	47	0.0	-49.16	372.30	11.53	-37.63
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2CC2)C2=CC=CC(F)=C2)C1	REAL300003590916	1	47	0.0	-48.59	366.12	11.50	-37.09
CCOC1=CC=C(N(CC2CC2)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003591023	0	54	0.0	-47.88	414.35	11.59	-36.29
CCOC1=CC=C(N(CC2CC2)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003591023	1	54	0.0	-50.06	411.15	11.70	-38.36
CC1=CC=C(C(=O)NC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300003591138	0	57	0.0	-52.54	425.30	9.65	-42.89
CC1=CC=C(C(=O)NC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)C=C1	REAL300003591138	1	57	0.0	-50.50	424.12	9.18	-41.32
C=CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003591203	0	44	0.0	-47.58	340.03	10.44	-37.14
C=CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003591203	1	44	0.0	-47.43	345.47	10.42	-37.01
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C1	REAL300003591289	0	50	0.0	-50.91	402.23	12.00	-38.91
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C1	REAL300003591289	1	50	0.0	-51.21	407.68	11.97	-39.24
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CS2)CC2CCCO2)C1	REAL300003591390	0	51	0.0	-43.42	397.33	9.84	-33.58
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CS2)CC2CCCO2)C1	REAL300003591390	1	51	0.0	-46.73	398.96	9.91	-36.82
COC1=CC=C(CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)C2CC2)C=C1	REAL300003591496	0	57	0.0	-45.68	415.98	11.33	-34.35
COC1=CC=C(CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)C2CC2)C=C1	REAL300003591496	1	57	0.0	-49.32	423.04	11.51	-37.81
COC1=CC=C(OC)C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003591631	0	51	0.0	-51.10	389.80	6.80	-44.30
COC1=CC=C(OC)C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003591631	1	51	0.0	-51.17	396.00	6.82	-44.35
COC1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003591747	0	47	0.0	-49.83	363.01	7.55	-42.28
COC1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003591747	1	47	0.0	-48.92	357.57	7.58	-41.34
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC)C=C1	REAL300003591875	0	47	0.0	-46.30	354.76	8.67	-37.63
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(OC)C=C1	REAL300003591875	1	47	0.0	-50.32	355.61	9.13	-41.19
CC(C)COC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003591985	0	50	0.0	-51.11	382.91	9.02	-42.09
CC(C)COC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003591985	1	50	0.0	-53.33	377.71	9.03	-44.30
CC1CC1C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)O1	REAL300003592097	0	47	0.0	-47.98	369.65	8.62	-39.36
CC1CC1C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)O1	REAL300003592097	1	47	0.0	-48.90	372.26	8.64	-40.26
CC1=CC=C(C(C)N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300003592204	0	52	0.0	-47.34	383.89	11.44	-35.90
CC1=CC=C(C(C)N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300003592204	1	52	0.0	-48.13	385.68	11.51	-36.62
CC1=CC=CC(CN(CC2=CC=CO2)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003592309	0	53	0.0	-44.92	403.36	11.56	-33.36
CC1=CC=CC(CN(CC2=CC=CO2)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003592309	1	53	0.0	-45.36	409.96	12.26	-33.10
CCOC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC	REAL300003592423	0	48	0.0	-53.94	370.56	7.41	-46.53
CCOC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1OC	REAL300003592423	1	48	0.0	-53.42	365.34	7.43	-45.99
CN(CC1=C(Cl)C=CC=C1Cl)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003592610	0	43	0.0	-45.26	349.17	10.09	-35.17
CN(CC1=C(Cl)C=CC=C1Cl)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003592610	1	43	0.0	-46.12	351.65	10.18	-35.94
COC1=CC=C(CC2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300003592748	0	57	0.0	-48.90	421.43	11.00	-37.90
COC1=CC=C(CC2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300003592748	1	57	0.0	-46.10	414.73	10.54	-35.56
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(OC3=CC=CC=C3)C2)C1	REAL300003592874	0	51	0.0	-46.61	373.48	9.45	-37.16
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(OC3=CC=CC=C3)C2)C1	REAL300003592874	1	51	0.0	-50.17	380.10	9.90	-40.27
CCN(CC1=CC=C(OC)C(OC)=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003593005	0	54	0.0	-50.92	411.89	9.59	-41.33
CCN(CC1=CC=C(OC)C(OC)=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003593005	1	54	0.0	-52.04	406.43	9.62	-42.42
CCCN(CC1=CC=C(F)C=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003593146	0	49	0.0	-46.20	369.05	10.57	-35.63
CCCN(CC1=CC=C(F)C=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003593146	1	49	0.0	-46.55	375.57	11.25	-35.30
CCN(CC1=CC=C(OC)C=C1OC)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003593273	0	54	0.0	-44.38	400.17	8.75	-35.63
CCN(CC1=CC=C(OC)C=C1OC)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003593273	1	54	0.0	-46.61	401.03	9.21	-37.40
COCCN1C=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300003593366	1	44	0.0	-51.11	341.10	4.53	-46.58
COCCN1C=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300003593366	1	44	0.0	-54.43	341.91	4.98	-49.45
COC1=CC=C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300003593476	0	51	0.0	-50.62	377.28	9.57	-41.05
COC1=CC=C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300003593476	1	51	0.0	-51.58	377.69	9.59	-41.99
CC(C)CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300003593631	0	55	0.0	-49.32	424.66	11.43	-37.89
CC(C)CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300003593631	1	55	0.0	-48.71	419.14	11.46	-37.25
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC(F)F)C(F)=C2)C1	REAL300003593744	1	41	0.0	-56.46	330.23	6.95	-49.51
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC(F)F)C(F)=C2)C1	REAL300003593744	1	41	0.0	-54.84	335.45	6.94	-47.90
COC1=CC=CC=C1OC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003593872	0	55	0.0	-52.42	409.44	9.80	-42.62
COC1=CC=CC=C1OC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003593872	1	55	0.0	-48.80	402.74	9.34	-39.46
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC=C(Br)C=C3C2)C1	REAL300003593993	0	44	0.0	-49.77	354.39	10.27	-39.50
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=C(Br)C=C3C2)C1	REAL300003593993	1	44	0.0	-48.78	354.48	10.26	-38.52
CCC(C)(C)OCCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003594084	0	49	0.0	-46.40	362.72	6.25	-40.15
CCC(C)(C)OCCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003594084	1	49	0.0	-46.65	363.36	6.27	-40.38
CC(C)OCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003594183	0	50	0.0	-50.91	381.73	8.78	-42.13
CC(C)OCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003594183	1	50	0.0	-51.43	388.08	8.75	-42.68
COCCOC1CCCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003594301	0	51	0.0	-50.01	381.72	6.73	-43.28
COCCOC1CCCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003594301	1	51	0.0	-46.41	375.03	6.27	-40.14
O=C([O-])C1CCC[N@H+](CC(=O)NC(CC(F)(F)F)C2=CC=C(F)C=C2)C1	REAL300003594408	0	46	0.0	-50.82	358.76	9.21	-41.61
O=C([O-])C1CCC[N@@H+](CC(=O)NC(CC(F)(F)F)C2=CC=C(F)C=C2)C1	REAL300003594408	1	46	0.0	-51.64	366.72	9.27	-42.37
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=CO2)CC2CCCO2)C1	REAL300003594509	0	51	0.0	-47.63	383.34	8.78	-38.85
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=CO2)CC2CCCO2)C1	REAL300003594509	1	51	0.0	-45.22	370.31	9.45	-35.77
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300003594617	0	46	0.0	-51.30	353.99	8.81	-42.49
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300003594617	1	46	0.0	-48.32	352.84	8.37	-39.95
O=C([O-])C1CCC[N@H+](CC(=O)NCCCC2=CC=CC(Cl)=C2)C1	REAL300003594810	0	46	0.0	-49.90	376.43	9.48	-40.42
O=C([O-])C1CCC[N@@H+](CC(=O)NCCCC2=CC=CC(Cl)=C2)C1	REAL300003594810	1	46	0.0	-49.39	375.79	9.46	-39.93
CC(C)CCOC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003594984	0	56	0.0	-47.92	409.42	9.58	-38.34
CC(C)CCOC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003594984	1	56	0.0	-44.59	401.93	9.11	-35.48
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OCC3CCCCC3)CC2)C1	REAL300003595111	0	60	0.0	-44.35	424.57	10.42	-33.93
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OCC3CCCCC3)CC2)C1	REAL300003595111	1	60	0.0	-47.66	432.06	10.88	-36.78
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(CCOCC3)CC2)C1	REAL300003595229	0	51	0.0	-44.96	347.54	7.16	-37.80
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(CCOCC3)CC2)C1	REAL300003595229	1	51	0.0	-48.20	355.03	7.63	-40.57
COC1=CC=C(COCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003595348	0	51	0.0	-50.41	401.02	6.79	-43.62
COC1=CC=C(COCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003595348	1	51	0.0	-50.50	401.66	6.81	-43.69
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(OC3CCCC3)C=C2)C1	REAL300003595531	0	54	0.0	-49.19	411.80	9.63	-39.56
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(OC3CCCC3)C=C2)C1	REAL300003595531	1	54	0.0	-47.35	404.58	9.60	-37.75
CC(C)(C)C1=CC=C2C(=C1)CCN2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003595662	0	53	0.0	-50.81	385.12	11.80	-39.01
CC(C)(C)C1=CC=C2C(=C1)CCN2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003595662	1	53	0.0	-45.35	383.21	11.33	-34.02
CC(C)(C)C1=CC=C(C2(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2)C=C1	REAL300003595788	0	62	0.0	-47.44	449.37	12.15	-35.29
CC(C)(C)C1=CC=C(C2(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2)C=C1	REAL300003595788	1	62	0.0	-47.46	455.69	12.21	-35.25
CSCCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003595972	0	47	0.0	-50.58	372.16	10.01	-40.57
CSCCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003595972	1	47	0.0	-51.08	378.23	9.99	-41.09
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300003596084	0	54	0.0	-57.03	429.86	6.21	-50.82
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300003596084	1	54	0.0	-57.68	430.27	6.28	-51.40
CC(C)CCC1CCCC1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003596207	0	55	0.0	-46.65	400.95	9.89	-36.76
CC(C)CCC1CCCC1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003596207	1	55	0.0	-46.66	395.46	9.92	-36.74
CCOC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1C	REAL300003596305	0	47	0.0	-50.96	361.38	8.28	-42.68
CCOC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1C	REAL300003596305	1	47	0.0	-50.75	355.91	8.31	-42.44
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=CC(C(F)(F)F)=C3)CC2)C1	REAL300003596422	0	50	0.0	-46.68	390.71	9.78	-36.90
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=CC(C(F)(F)F)=C3)CC2)C1	REAL300003596422	1	50	0.0	-48.39	395.26	10.22	-38.17
COC1=CC=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300003596610	0	47	0.0	-55.38	367.72	7.55	-47.83
COC1=CC=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1F	REAL300003596610	1	47	0.0	-51.56	365.82	7.10	-44.46
CC(C)C1CCCC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003596700	0	52	0.0	-46.70	374.28	8.82	-37.88
CC(C)C1CCCC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003596700	1	52	0.0	-47.14	371.04	9.27	-37.87
CC1=CC=CC2=C1CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C2	REAL300003596800	0	47	0.0	-47.68	350.06	10.18	-37.50
CC1=CC=CC2=C1CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C2	REAL300003596800	1	47	0.0	-48.78	349.93	10.18	-38.60
CC1=CC=CC2=C1CCC2NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003596887	0	47	0.0	-48.57	359.43	9.28	-39.29
CC1=CC=CC2=C1CCC2NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003596887	1	47	0.0	-48.86	360.18	9.28	-39.58
COCC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300003597001	0	47	0.0	-47.62	369.27	7.35	-40.27
COCC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300003597001	1	47	0.0	-50.04	375.48	7.37	-42.67
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003597127	0	51	0.0	-49.92	390.12	10.55	-39.37
CC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003597127	1	51	0.0	-53.17	391.84	11.05	-42.12
COC1=CC(F)=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003597217	1	41	0.0	-49.44	319.85	6.22	-43.22
COC1=CC(F)=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003597217	1	41	0.0	-52.40	320.65	6.67	-45.73
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003597325	0	45	0.0	-53.95	358.31	8.40	-45.55
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=CC([N+](=O)[O-])=C2)C1	REAL300003597325	1	45	0.0	-58.10	360.21	8.84	-49.26
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C3SC=CC3=C2)C1	REAL300003597449	0	43	0.0	-50.20	353.63	8.78	-41.42
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C3SC=CC3=C2)C1	REAL300003597449	1	43	0.0	-48.31	347.42	8.76	-39.55
CC1=CC=CC(COC2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)=C1	REAL300003597669	0	54	0.0	-52.65	422.62	11.25	-41.40
CC1=CC=CC(COC2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)=C1	REAL300003597669	1	54	0.0	-55.08	417.43	11.26	-43.82
O=C([O-])C1CCC[N@H+](CC(=O)NCC2OCCC3=CC=CC=C32)C1	REAL300003597789	0	48	0.0	-49.39	366.28	7.54	-41.85
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2OCCC3=CC=CC=C32)C1	REAL300003597789	1	48	0.0	-48.39	365.63	7.52	-40.87
CC1C2=C(F)C=CC=C2CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003597902	0	47	0.0	-50.21	347.45	10.11	-40.10
CC1C2=C(F)C=CC=C2CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003597902	1	47	0.0	-51.80	356.42	10.36	-41.44
COC1=CC(F)=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003598008	0	44	0.0	-48.41	346.42	6.77	-41.64
COC1=CC(F)=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003598008	1	44	0.0	-50.24	352.62	6.79	-43.45
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC3=C2CCO3)C1	REAL300003598083	0	42	0.0	-51.50	319.47	7.17	-44.33
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC3=C2CCO3)C1	REAL300003598083	1	42	0.0	-52.09	325.77	7.17	-44.92
CC1=CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300003598187	0	46	0.0	-51.03	367.46	9.27	-41.76
CC1=CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300003598187	1	46	0.0	-47.96	365.55	8.82	-39.14
O=C([O-])C1CCC[N@H+](CC(=O)NCC2COC3=CC=CC=C32)C1	REAL300003598365	0	45	0.0	-49.24	343.26	6.87	-42.37
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2COC3=CC=CC=C32)C1	REAL300003598365	1	45	0.0	-51.59	345.20	7.17	-44.42
COC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300003598471	0	47	0.0	-48.16	357.31	7.20	-40.96
COC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300003598471	1	47	0.0	-50.04	363.48	7.21	-42.83
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCC(F)(F)CC2)C1	REAL300003598615	0	46	0.0	-52.35	349.91	7.95	-44.40
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCC(F)(F)CC2)C1	REAL300003598615	1	46	0.0	-51.45	349.28	7.93	-43.52
CC(=CC1=CC=CC=C1)CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003598731	0	50	0.0	-47.12	376.68	11.28	-35.84
CC(=CC1=CC=CC=C1)CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003598731	1	50	0.0	-48.14	383.38	11.31	-36.83
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C(F)F)CC2)C1	REAL300003598809	0	43	0.0	-46.27	319.44	7.88	-38.39
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C(F)F)CC2)C1	REAL300003598809	1	43	0.0	-50.36	326.64	8.33	-42.03
COC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300003598936	1	44	0.0	-55.63	356.90	7.69	-47.94
COC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300003598936	1	44	0.0	-54.49	351.44	7.72	-46.77
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2CCCCC12	REAL300003599020	0	50	0.0	-46.08	347.73	9.45	-36.63
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2CCCCC12	REAL300003599020	1	50	0.0	-41.92	351.32	9.16	-32.76
COC(C1=CC=CC=C1Cl)C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003599115	0	50	0.0	-47.58	390.61	8.83	-38.75
COC(C1=CC=CC=C1Cl)C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003599115	1	50	0.0	-47.49	393.06	8.96	-38.53
C=CCC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300003599195	0	50	0.0	-47.79	368.60	9.00	-38.79
C=CCC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCCC1	REAL300003599195	1	50	0.0	-47.05	363.20	9.01	-38.04
COC1CCC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003599396	0	50	0.0	-48.39	368.50	6.95	-41.44
COC1CCC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003599396	1	50	0.0	-46.33	363.12	6.36	-39.97
CC1=CC2=C(C=C1C)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300003599521	0	47	0.0	-51.12	347.29	10.68	-40.44
CC1=CC2=C(C=C1C)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300003599521	1	47	0.0	-50.02	354.19	10.72	-39.30
CCC(CC1=CC=C(Cl)C=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003599675	0	49	0.0	-49.99	386.27	10.31	-39.68
CCC(CC1=CC=C(Cl)C=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003599675	1	49	0.0	-48.62	380.95	10.34	-38.28
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3CCCCC3)C=C2)C1	REAL300003599808	0	54	0.0	-51.05	402.42	10.12	-40.93
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3CCCCC3)C=C2)C1	REAL300003599808	1	54	0.0	-51.42	396.15	10.17	-41.25
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003599915	0	53	0.0	-50.12	403.91	11.81	-38.31
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003599915	1	53	0.0	-47.32	397.36	11.86	-35.46
CSCCC(C)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003599962	0	46	0.0	-44.84	349.30	8.86	-35.98
CSCCC(C)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003599962	1	46	0.0	-46.96	350.10	9.32	-37.64
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OCC1CCCCC1	REAL300003600059	0	60	0.0	-50.37	444.61	11.68	-38.69
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OCC1CCCCC1	REAL300003600059	1	60	0.0	-50.60	439.39	11.68	-38.92
C=C(C)CN(CC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003600166	0	50	0.0	-45.18	380.95	11.40	-33.78
C=C(C)CN(CC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003600166	1	50	0.0	-45.72	377.81	11.51	-34.21
CCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300003600271	1	44	0.0	-47.85	340.94	7.21	-40.64
CCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300003600271	1	44	0.0	-46.98	340.93	7.66	-39.32
CCC1=CC=C(N(CC(C)C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003600380	0	55	0.0	-43.32	390.88	11.54	-31.78
CCC1=CC=C(N(CC(C)C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003600380	1	55	0.0	-49.16	403.40	12.38	-36.78
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1OCCC(C)C	REAL300003600501	0	56	0.0	-50.55	421.94	10.39	-40.16
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1OCCC(C)C	REAL300003600501	1	56	0.0	-50.68	416.72	10.39	-40.29
CC(CCC1CCCC1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003600594	0	52	0.0	-46.86	383.50	9.58	-37.28
CC(CCC1CCCC1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003600594	1	52	0.0	-47.02	377.65	9.59	-37.43
COC1=CC(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C(SC)C=C1OC	REAL300003600713	0	55	0.0	-47.80	416.37	9.26	-38.54
COC1=CC(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C(SC)C=C1OC	REAL300003600713	1	55	0.0	-54.16	428.10	10.26	-43.90
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(CSC3CCCC3)=C2)C1	REAL300003600847	0	54	0.0	-48.98	416.21	12.06	-36.92
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(CSC3CCCC3)=C2)C1	REAL300003600847	1	54	0.0	-49.69	421.39	12.05	-37.64
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(CC(F)(F)F)=C2)C1	REAL300003601041	0	43	0.0	-51.21	345.74	9.09	-42.12
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(CC(F)(F)F)=C2)C1	REAL300003601041	1	43	0.0	-51.29	350.93	9.09	-42.20
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC(C3=CC=CC=C3)C2)C1	REAL300003601194	0	53	0.0	-48.48	390.14	10.57	-37.91
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC(C3=CC=CC=C3)C2)C1	REAL300003601194	1	53	0.0	-48.35	391.20	10.96	-37.39
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300003601275	0	44	0.0	-44.50	325.48	9.75	-34.75
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300003601275	1	44	0.0	-44.96	331.70	9.77	-35.19
CCC1=CC=C(C2CCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300003601382	0	56	0.0	-47.82	413.78	12.35	-35.47
CCC1=CC=C(C2CCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300003601382	1	56	0.0	-44.32	407.19	11.91	-32.41
COC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300003601503	0	44	0.0	-48.92	345.58	6.71	-42.21
COC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300003601503	1	44	0.0	-49.98	351.87	6.73	-43.25
CC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300003601624	0	43	0.0	-52.69	344.35	8.83	-43.86
CC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300003601624	1	43	0.0	-51.84	338.89	8.85	-42.99
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCC(F)(F)C2)C1	REAL300003601709	0	43	0.0	-51.91	335.33	7.26	-44.65
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCC(F)(F)C2)C1	REAL300003601709	1	43	0.0	-49.07	329.13	7.23	-41.84
CN1C=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300003601814	0	43	0.0	-53.00	353.05	6.26	-46.74
CN1C=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300003601814	1	43	0.0	-52.64	356.49	6.45	-46.19
CC1=CC=C(C(C)(C)CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300003601980	0	55	0.0	-49.28	398.01	10.19	-39.09
CC1=CC=C(C(C)(C)CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300003601980	1	55	0.0	-46.27	389.30	9.80	-36.47
COC1=CC=CC(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300003602097	0	48	0.0	-51.26	365.98	8.36	-42.90
COC1=CC=CC(C2(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300003602097	1	48	0.0	-46.15	363.08	7.69	-38.46
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCCC(F)(F)C2)C1	REAL300003602168	0	43	0.0	-48.33	322.75	6.74	-41.59
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCCC(F)(F)C2)C1	REAL300003602168	1	43	0.0	-50.89	329.50	7.21	-43.68
COC(C)(C)CC(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003602224	0	49	0.0	-44.34	358.57	6.94	-37.40
COC(C)(C)CC(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003602224	1	49	0.0	-44.49	352.68	6.86	-37.63
CC1CC(C2=CC=CC=C2)C(C)N1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003602337	0	53	0.0	-45.99	374.95	11.06	-34.93
CC1CC(C2=CC=CC=C2)C(C)N1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003602337	1	53	0.0	-42.56	372.52	10.63	-31.93
CC(CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003602434	0	49	0.0	-48.40	373.34	9.30	-39.10
CC(CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003602434	1	49	0.0	-49.17	373.98	9.32	-39.85
CCC(CC1=CC=C(C)C=C1)N(CC)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003602545	0	58	0.0	-48.32	419.88	13.05	-35.27
CCC(CC1=CC=C(C)C=C1)N(CC)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003602545	1	58	0.0	-47.39	425.39	13.00	-34.39
COC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300003602662	0	47	0.0	-48.94	380.12	7.87	-41.07
COC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300003602662	1	47	0.0	-47.61	377.40	7.43	-40.18
CC1C(CC2=CC=CC=C2)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003602794	0	53	0.0	-46.55	397.55	11.70	-34.85
CC1C(CC2=CC=CC=C2)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003602794	1	53	0.0	-47.18	397.24	11.70	-35.48
O=C([O-])C1CCC[N@H+](CC(=O)N2CC(C3=CC=CC=C3)C3=CC=CC=C32)C1	REAL300003602925	0	51	0.0	-46.29	389.88	12.65	-33.64
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC(C3=CC=CC=C3)C3=CC=CC=C32)C1	REAL300003602925	1	51	0.0	-45.73	383.67	12.63	-33.10
CC(C)C1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300003603050	0	50	0.0	-44.17	358.15	10.74	-33.43
CC(C)C1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C21	REAL300003603050	1	50	0.0	-44.61	364.39	10.76	-33.85
CC(C)(C)C1=CC=C2C(=C1)CCCN2C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003603164	0	56	0.0	-50.43	397.40	12.27	-38.16
CC(C)(C)C1=CC=C2C(=C1)CCCN2C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003603164	1	56	0.0	-49.76	404.14	12.30	-37.46
COC1=CC=C(N(CCC(C)C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003603275	0	56	0.0	-46.26	415.32	10.72	-35.54
COC1=CC=C(N(CCC(C)C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003603275	1	56	0.0	-49.89	416.18	11.18	-38.71
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1C1=CC=CC=C1	REAL300003603384	0	56	0.0	-45.33	408.73	12.52	-32.81
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCCCC1C1=CC=CC=C1	REAL300003603384	1	56	0.0	-48.03	403.22	12.54	-35.49
CCCCCN(CCCOC)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003603487	0	55	0.0	-46.96	409.82	9.42	-37.54
CCCCCN(CCCOC)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003603487	1	55	0.0	-47.36	408.39	9.57	-37.79
CN(CC1=C(F)C=CC=C1F)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003603589	0	43	0.0	-46.58	338.30	9.45	-37.13
CN(CC1=C(F)C=CC=C1F)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003603589	1	43	0.0	-47.31	340.64	9.53	-37.78
CCC(C1=CC=CC=C1OC)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003603697	0	53	0.0	-44.24	389.97	9.79	-34.45
CCC(C1=CC=CC=C1OC)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003603697	1	53	0.0	-47.19	397.47	10.24	-36.95
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC=C(C3=CC=CC=C3)C2)C1	REAL300003603855	0	48	0.0	-45.31	360.76	10.62	-34.69
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC=C(C3=CC=CC=C3)C2)C1	REAL300003603855	1	48	0.0	-50.72	361.99	11.06	-39.66
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC23CCCCC3)C1	REAL300003603931	0	50	0.0	-48.45	342.51	9.37	-39.08
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC23CCCCC3)C1	REAL300003603931	1	50	0.0	-47.73	341.57	9.35	-38.38
CSC1=CC=CC=C1CN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003604035	0	47	0.0	-44.76	357.75	10.08	-34.68
CSC1=CC=CC=C1CN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003604035	1	47	0.0	-49.52	369.44	11.04	-38.48
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCC(F)(F)CC1	REAL300003604139	0	46	0.0	-48.61	343.92	8.98	-39.63
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCC(F)(F)CC1	REAL300003604139	1	46	0.0	-49.25	343.82	8.99	-40.26
C=CCCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003604245	0	50	0.0	-49.35	384.99	10.77	-38.58
C=CCCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003604245	1	50	0.0	-48.47	390.44	10.74	-37.73
CCC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300003604350	0	43	0.0	-49.83	345.44	9.10	-40.73
CCC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300003604350	1	43	0.0	-48.57	339.99	9.13	-39.44
CCC(CSC1=CC=CC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003604519	0	50	0.0	-47.82	390.20	10.21	-37.61
CCC(CSC1=CC=CC=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003604519	1	50	0.0	-48.37	384.54	10.25	-38.12
CC1=CC=C(SCC(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003604648	0	50	0.0	-47.96	397.74	10.29	-37.67
CC1=CC=C(SCC(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003604648	1	50	0.0	-47.05	392.48	10.25	-36.80
CC1=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300003604779	0	53	0.0	-47.63	407.97	11.54	-36.09
CC1=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC=C1C1=CC=CC=C1	REAL300003604779	1	53	0.0	-49.15	414.25	11.56	-37.59
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(CCC(F)(F)F)C=C2)C1	REAL300003604910	0	46	0.0	-51.84	373.41	9.90	-41.94
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(CCC(F)(F)F)C=C2)C1	REAL300003604910	1	46	0.0	-51.03	373.24	9.91	-41.12
CCC(CC(F)(F)F)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003605005	0	42	0.0	-48.14	327.19	7.46	-40.68
CCC(CC(F)(F)F)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003605005	1	42	0.0	-45.98	319.66	7.03	-38.95
CC1=CC(C(F)(F)F)=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003605165	0	46	0.0	-48.41	366.88	8.92	-39.49
CC1=CC(C(F)(F)F)=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003605165	1	46	0.0	-51.05	372.73	8.92	-42.13
O=C([O-])C1CCC[N@H+](CC(=O)NC2CCC3(CCCCC3)CC2)C1	REAL300003605294	0	56	0.0	-46.35	381.54	9.73	-36.62
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CCC3(CCCCC3)CC2)C1	REAL300003605294	1	56	0.0	-47.19	381.42	9.57	-37.62
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=CC(OCC3=CC=CC=C3)=C2)C1	REAL300003605406	0	57	0.0	-48.91	441.36	11.01	-37.90
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=CC(OCC3=CC=CC=C3)=C2)C1	REAL300003605406	1	57	0.0	-52.66	443.26	11.45	-41.21
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=CC(Cl)=C3)CC2)C1	REAL300003605518	0	50	0.0	-45.46	381.18	11.02	-34.44
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=CC(Cl)=C3)CC2)C1	REAL300003605518	1	50	0.0	-48.91	388.68	11.48	-37.43
O=C([O-])C1CCC[N@H+](CC(=O)N(CC2=CC=C(F)C=C2)C2CCOCC2)C1	REAL300003605634	0	54	0.0	-53.22	404.34	10.40	-42.82
O=C([O-])C1CCC[N@@H+](CC(=O)N(CC2=CC=C(F)C=C2)C2CCOCC2)C1	REAL300003605634	1	54	0.0	-46.97	393.88	9.68	-37.29
CC(C)C(C)(CC1=CC=C(Cl)C=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003605883	0	55	0.0	-48.63	409.44	11.19	-37.44
CC(C)C(C)(CC1=CC=C(Cl)C=C1)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003605883	1	55	0.0	-51.00	404.62	10.97	-40.03
O=C([O-])C1CCC[N@H+](CC(=O)NC(C2=CC=CC(Cl)=C2)C2CCCCC2)C1	REAL300003605977	0	56	0.0	-51.78	425.97	12.35	-39.43
O=C([O-])C1CCC[N@@H+](CC(=O)NC(C2=CC=CC(Cl)=C2)C2CCCCC2)C1	REAL300003605977	1	56	0.0	-46.23	418.85	11.91	-34.32
CCOCCOCC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300003606089	0	57	0.0	-53.34	434.90	9.13	-44.21
CCOCCOCC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1C	REAL300003606089	1	57	0.0	-54.09	429.43	9.16	-44.93
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(SC3=CC=CC=C3)C=C2)C1	REAL300003606210	0	51	0.0	-50.04	417.31	11.52	-38.52
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(SC3=CC=CC=C3)C=C2)C1	REAL300003606210	1	51	0.0	-48.39	411.11	11.50	-36.89
COC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC(C)CC1	REAL300003606392	0	53	0.0	-45.91	376.19	7.39	-38.52
COC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC(C)CC1	REAL300003606392	1	53	0.0	-47.07	382.25	7.38	-39.69
COCCOC1=CC(C)=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003606513	0	54	0.0	-49.24	415.83	7.60	-41.64
COCCOC1=CC(C)=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003606513	1	54	0.0	-45.69	413.92	7.16	-38.53
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3CCOC3)C2)C1	REAL300003606634	0	48	0.0	-48.73	349.62	7.34	-41.39
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3CCOC3)C2)C1	REAL300003606634	1	48	0.0	-49.72	351.39	7.44	-42.28
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(C3CC3)=CC=C2F)C1	REAL300003606778	0	47	0.0	-47.83	371.61	9.54	-38.29
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(C3CC3)=CC=C2F)C1	REAL300003606778	1	47	0.0	-45.70	365.41	9.52	-36.18
CCCCC(CCC)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003606868	0	54	0.0	-46.89	391.94	9.52	-37.37
CCCCC(CCC)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003606868	1	54	0.0	-47.49	393.89	9.43	-38.06
COCCC(C)(C)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003606928	0	49	0.0	-48.89	361.43	6.17	-42.72
COCCC(C)(C)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003606928	1	49	0.0	-45.96	354.71	5.73	-40.23
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(F)C=C3F)CCCC2)C1	REAL300003607019	0	50	0.0	-52.89	373.19	9.62	-43.27
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C(F)C=C3F)CCCC2)C1	REAL300003607019	1	50	0.0	-52.29	368.15	9.63	-42.66
CC1=CC=C(C2(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCC2)C=C1C	REAL300003607139	0	56	0.0	-47.53	411.60	11.03	-36.50
CC1=CC=C(C2(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCC2)C=C1C	REAL300003607139	1	56	0.0	-47.08	417.79	11.05	-36.03
CC(C)C1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003607248	0	49	0.0	-46.39	370.72	9.32	-37.07
CC(C)C1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003607248	1	49	0.0	-47.65	376.93	9.34	-38.31
CC1CC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300003607332	0	50	0.0	-48.95	358.10	6.45	-42.50
CC1CC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300003607332	1	50	0.0	-46.35	356.19	6.00	-40.35
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCOCC1	REAL300003607398	0	50	0.0	-47.28	357.42	6.93	-40.35
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CCOCC1	REAL300003607398	1	50	0.0	-44.90	349.90	6.49	-38.41
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(C3=CC=CO3)C=C2F)C1	REAL300003607507	0	47	0.0	-51.28	381.98	9.14	-42.14
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(C3=CC=CO3)C=C2F)C1	REAL300003607507	1	47	0.0	-48.11	375.89	9.12	-38.99
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC3(CCCC4=CC=CC=C43)C2)C1	REAL300003607667	0	57	0.0	-49.19	402.85	12.42	-36.77
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC3(CCCC4=CC=CC=C43)C2)C1	REAL300003607667	1	57	0.0	-49.22	396.65	12.64	-36.58
CC(CC1=CC=CC=C1C(F)(F)F)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003607779	0	52	0.0	-49.93	396.21	11.55	-38.38
CC(CC1=CC=CC=C1C(F)(F)F)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003607779	1	52	0.0	-50.62	400.29	11.75	-38.87
CC(C)C1=CC=C(C2CCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003607882	0	56	0.0	-48.64	412.35	12.75	-35.89
CC(C)C1=CC=C(C2CCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003607882	1	56	0.0	-47.60	418.61	12.78	-34.82
CCS(=O)(=O)C1=CC=C(C(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003607999	0	52	0.0	-57.65	415.72	6.67	-50.98
CCS(=O)(=O)C1=CC=C(C(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003607999	1	52	0.0	-54.83	410.26	6.70	-48.13
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300003608107	0	57	0.0	-51.12	444.81	11.53	-39.59
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300003608107	1	57	0.0	-50.34	439.32	11.55	-38.79
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OCC3CCOC3)CC2)C1	REAL300003608216	0	55	0.0	-50.25	405.50	7.69	-42.56
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OCC3CCOC3)CC2)C1	REAL300003608216	1	55	0.0	-49.99	405.30	7.69	-42.30
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=C(C(F)(F)F)C=C3)CC2)C1	REAL300003608344	0	50	0.0	-49.61	401.69	10.28	-39.33
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=C(C(F)(F)F)C=C3)CC2)C1	REAL300003608344	1	50	0.0	-47.41	399.50	10.38	-37.03
CC(C)C1=CC=C(CC2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300003608466	0	59	0.0	-46.73	435.20	12.98	-33.75
CC(C)C1=CC=C(CC2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)C=C1	REAL300003608466	1	59	0.0	-43.84	434.05	12.55	-31.29
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OCC3=CC=CC=C3F)CC2)C1	REAL300003608590	0	54	0.0	-46.23	404.97	10.30	-35.93
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OCC3=CC=CC=C3F)CC2)C1	REAL300003608590	1	54	0.0	-49.13	412.45	10.76	-38.37
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC(Cl)=CC=C2OCC2CCOC2)C1	REAL300003608691	1	52	0.0	-50.92	407.21	8.32	-42.60
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC(Cl)=CC=C2OCC2CCOC2)C1	REAL300003608691	1	52	0.0	-50.85	413.51	8.30	-42.55
CC1=CC=C(C2=CC=C(C)C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)O1	REAL300003608794	0	50	0.0	-52.77	389.37	10.65	-42.12
CC1=CC=C(C2=CC=C(C)C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)O1	REAL300003608794	1	50	0.0	-54.04	384.87	10.74	-43.30
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(Cl)C=C3)CC2)C1	REAL300003608912	0	44	0.0	-47.07	349.22	8.71	-38.36
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C(Cl)C=C3)CC2)C1	REAL300003608912	1	44	0.0	-50.12	357.40	9.47	-40.65
COCC(C1=CC=C(Cl)C=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003609017	0	50	0.0	-45.44	380.98	9.45	-35.99
COCC(C1=CC=C(Cl)C=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003609017	1	50	0.0	-48.27	389.07	9.95	-38.32
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300003610226	0	44	0.0	-83.62	352.27	9.67	-73.95
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1C1CC1	REAL300003610244	1	41	0.0	-72.21	340.57	9.33	-62.88
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1C1CC1	REAL300003610244	1	41	0.0	-72.53	336.39	9.24	-63.29
CC1=[NH+]C=C2CCC(C(=O)NC3=CC(C(=O)[O-])=C(Br)C=C3C)CN12	REAL300003610248	1	42	0.0	-73.56	350.97	9.56	-64.00
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[NH+](C)C	REAL300003610291	1	33	0.0	-77.08	283.10	6.82	-70.26
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@H+]1C	REAL300003610292	1	40	0.0	-75.75	315.36	8.24	-67.51
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCCC[N@@H+]1C	REAL300003610292	1	40	0.0	-75.72	315.69	8.23	-67.49
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C(C)N1CC[NH+](C)CC1	REAL300003610293	1	45	0.0	-77.86	353.80	6.61	-71.25
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CCCC[N@H+]1C	REAL300003610322	1	40	0.0	-74.07	325.15	8.42	-65.65
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CCCC[N@@H+]1C	REAL300003610322	1	40	0.0	-75.73	315.66	8.23	-67.50
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C)CC1	REAL300003610362	0	40	0.0	-86.79	327.41	8.47	-78.32
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300003610388	0	35	0.0	-80.17	313.28	10.33	-69.84
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300003610407	0	49	0.0	-78.71	365.37	10.30	-68.41
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300003610411	0	49	0.0	-81.43	381.51	10.40	-71.03
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CC[N@H+](C)C1CCCCC1	REAL300003610411	1	49	0.0	-80.96	381.53	10.41	-70.55
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1C	REAL300003610420	1	37	0.0	-73.44	308.98	7.85	-65.59
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1C	REAL300003610420	1	37	0.0	-73.31	310.43	7.91	-65.40
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C)CC1	REAL300003610459	0	40	0.0	-86.79	327.41	8.47	-78.32
CC1=[NH+]C=CN1CCCC(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C	REAL300003610490	1	41	0.0	-76.67	354.08	9.72	-66.95
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+]1CCOCC1	REAL300003610491	1	47	0.0	-84.63	381.37	8.40	-76.23
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)[C@H](C)[NH+](C)C	REAL300003610497	0	36	0.0	-75.23	301.18	7.32	-67.91
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)[C@H]1CCC[N@H+]1C	REAL300003610498	1	37	0.0	-75.08	303.38	7.40	-67.68
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)[C@H]1CCC[N@@H+]1C	REAL300003610498	1	37	0.0	-73.44	308.88	7.81	-65.63
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)[C@@H](C)[NH+](C)C	REAL300003610502	0	36	0.0	-74.33	301.28	7.34	-66.99
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1([NH+](C)C)CC1	REAL300003610510	1	37	0.0	-85.81	304.02	7.76	-78.05
CCC(C(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C)[NH+](CC)CC	REAL300003610565	0	45	0.0	-69.29	344.60	8.95	-60.34
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300003610582	0	42	0.0	-86.93	357.09	8.45	-78.48
CCC[NH+](CCC)CCCC(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C	REAL300003610585	0	51	0.0	-80.11	405.01	11.00	-69.11
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1C[N@H+](C)CCO1	REAL300003610586	1	38	0.0	-92.28	320.79	7.15	-85.13
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1C[N@@H+](C)CCO1	REAL300003610586	1	38	0.0	-85.59	313.02	7.00	-78.59
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CN1C=C[NH+]=C1C(C)C	REAL300003610595	1	41	0.0	-72.03	348.74	9.55	-62.48
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1(C[NH+](C)C)CC1	REAL300003610604	0	40	0.0	-76.20	335.31	8.65	-67.55
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+](C)C	REAL300003610609	0	42	0.0	-83.01	348.47	8.95	-74.06
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C(C(C)C)[NH+](C)C	REAL300003610619	0	42	0.0	-75.32	332.67	8.81	-66.51
CCC[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C	REAL300003610641	0	39	0.0	-76.67	322.32	8.24	-68.43
CCC[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C	REAL300003610641	1	39	0.0	-76.53	322.32	8.25	-68.28
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)C1CCC1	REAL300003610658	0	40	0.0	-74.01	329.19	8.80	-65.21
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)C1CCC1	REAL300003610658	1	40	0.0	-73.97	329.33	8.82	-65.15
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300003610671	0	45	0.0	-76.90	349.70	9.22	-67.68
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)CC(C)(C)C	REAL300003610671	1	45	0.0	-76.16	353.36	9.39	-66.77
CC[C@@H](C(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C)[NH+](C)C	REAL300003610674	0	39	0.0	-73.97	313.64	7.82	-66.15
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CC1(O)CCC[N@@H+](C)C1	REAL300003610676	0	44	0.0	-69.88	343.32	6.88	-63.00
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CC1(O)CCC[N@H+](C)C1	REAL300003610676	1	44	0.0	-70.03	354.27	7.13	-62.90
CCCCCC[N@H+](C)CC(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C	REAL300003610696	0	48	0.0	-77.90	386.81	10.58	-67.32
CCCCCC[N@@H+](C)CC(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C	REAL300003610696	1	48	0.0	-77.74	386.81	10.59	-67.15
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C12CCC[NH+]1CCC2	REAL300003610702	0	41	0.0	-83.80	327.49	8.73	-75.07
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300003610709	1	35	0.0	-88.04	313.55	10.34	-77.70
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)C1CCSC1	REAL300003610715	1	41	0.0	-80.23	342.57	9.07	-71.16
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)C1CCSC1	REAL300003610715	1	41	0.0	-80.35	342.36	9.08	-71.27
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCCC2CCC[N@@H+]21	REAL300003610730	0	44	0.0	-74.27	338.98	9.33	-64.94
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCCC2CCC[N@H+]21	REAL300003610730	1	44	0.0	-69.17	348.19	9.63	-59.54
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300003610731	0	43	0.0	-88.32	367.42	8.32	-80.00
CCCC(C(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C)[NH+](C)C	REAL300003610750	0	42	0.0	-77.95	336.82	8.75	-69.20
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300003610759	0	43	0.0	-95.91	367.76	8.33	-87.58
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1=CC=NN1CC[NH+](C)C	REAL300003610760	0	43	0.0	-63.26	363.79	8.35	-54.91
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300003610762	0	40	0.0	-86.06	320.33	7.87	-78.19
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300003610762	1	40	0.0	-82.71	324.96	8.30	-74.41
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C	REAL300003610764	1	44	0.0	-73.97	369.05	10.02	-63.95
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=C(Br)C=C2C)CC[N@@H+]1C	REAL300003610766	0	43	0.0	-82.65	339.43	8.46	-74.19
CC[C@@H]1[C@@H](C(=O)NC2=CC(C(=O)[O-])=C(Br)C=C2C)CC[N@H+]1C	REAL300003610766	1	43	0.0	-81.91	345.28	8.78	-73.13
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1C[N@@H+](C)CC(C)O1	REAL300003610771	1	41	0.0	-95.32	334.58	7.87	-87.45
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1C[N@H+](C)CC(C)O1	REAL300003610771	1	41	0.0	-97.50	334.08	7.47	-90.03
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[NH+]1CCCC1	REAL300003610777	1	37	0.0	-76.38	308.57	7.96	-68.42
CC1=[NH+]C=CN1CC(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C	REAL300003610779	1	35	0.0	-73.27	312.52	8.44	-64.83
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C(C)C[NH+]1CCOCC1	REAL300003610781	0	44	0.0	-80.15	354.67	7.54	-72.61
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[NH+]1CCC(C)CC1	REAL300003610800	1	43	0.0	-77.59	345.66	9.30	-68.29
CC[N@@H+]1CCOC(C(=O)NC2=CC(C(=O)[O-])=C(Br)C=C2C)C1	REAL300003610808	1	41	0.0	-76.03	331.53	7.65	-68.38
CC[N@H+]1CCOC(C(=O)NC2=CC(C(=O)[O-])=C(Br)C=C2C)C1	REAL300003610808	1	41	0.0	-76.02	331.53	7.65	-68.37
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CCC1CCC[N@H+]1C	REAL300003610832	0	43	0.0	-85.12	350.47	9.32	-75.80
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CCC1CCC[N@@H+]1C	REAL300003610832	1	43	0.0	-78.28	344.80	8.83	-69.45
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C12CCC[NH+](CCC1)C2	REAL300003610840	0	44	0.0	-79.12	341.53	9.05	-70.07
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1(C)CC(O)C[N@H+]1C	REAL300003610842	1	41	0.0	-82.82	332.31	4.92	-77.90
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1(C)CC(O)C[N@@H+]1C	REAL300003610842	1	41	0.0	-84.87	330.99	4.86	-80.01
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC2CCCC[N@@H+]21	REAL300003610843	0	44	0.0	-76.22	344.08	9.32	-66.90
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC2CCCC[N@H+]21	REAL300003610843	1	44	0.0	-72.11	350.89	9.75	-62.36
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C(C)(C)C[NH+]1CCOCC1	REAL300003610847	0	47	0.0	-76.39	363.15	7.86	-68.53
CC[NH+](CC)CC(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C	REAL300003610856	0	39	0.0	-75.38	318.68	8.17	-67.21
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CC[NH+](C(C)C)CC1	REAL300003610858	0	46	0.0	-83.99	361.73	9.66	-74.33
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C12CC[NH+](CC1)C2	REAL300003610911	0	38	0.0	-82.71	314.62	7.35	-75.36
CCC(C(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C)[NH+](C)C	REAL300003610914	0	39	0.0	-71.10	311.53	7.90	-63.20
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C12CC[N@H+](C1)CCC2	REAL300003610921	0	41	0.0	-89.80	325.02	8.06	-81.74
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C12CC[N@@H+](C1)CCC2	REAL300003610921	1	41	0.0	-81.40	325.44	8.08	-73.32
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[NH+]1C(C)CCC1C	REAL300003610950	0	43	0.0	-74.00	340.20	8.81	-65.19
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300003610951	0	43	0.0	-81.88	362.24	10.36	-71.52
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1([NH+](C)C)CCC1	REAL300003610976	0	40	0.0	-84.92	316.48	8.82	-76.10
C#CC[NH+]1CCC(C(=O)NC2=CC(C(=O)[O-])=C(Br)C=C2C)CC1	REAL300003610993	0	42	0.0	-86.17	352.09	9.62	-76.55
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C	REAL300003610994	0	46	0.0	-74.38	355.87	9.65	-64.73
CCC[N@H+]1CCCCC1C(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C	REAL300003610994	1	46	0.0	-72.71	364.22	9.82	-62.89
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300003610995	0	43	0.0	-60.37	353.52	10.61	-49.76
CC[NH+]1CCN(CCC(=O)NC2=CC(C(=O)[O-])=C(Br)C=C2C)CC1	REAL300003610996	0	48	0.0	-84.25	380.53	7.34	-76.91
CCN1CC[NH+](CCC(=O)NC2=CC(C(=O)[O-])=C(Br)C=C2C)CC1	REAL300003610996	1	48	0.0	-80.16	381.71	7.47	-72.69
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)C(C)C	REAL300003610997	0	39	0.0	-74.02	317.51	8.03	-65.99
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)C(C)C	REAL300003610997	1	39	0.0	-73.46	317.51	8.02	-65.44
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C(C(C)C)[NH+]1CCCCC1	REAL300003610998	0	49	0.0	-75.85	374.08	10.62	-65.23
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300003610999	1	43	0.0	-74.65	357.77	10.28	-64.37
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CCN1C=C[NH+]=C1C(C)C	REAL300003611004	1	44	0.0	-73.29	368.52	9.97	-63.32
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300003611009	0	47	0.0	-80.54	359.26	9.87	-70.67
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300003611009	1	47	0.0	-73.16	366.41	10.23	-62.93
CC[N@H+](CC(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C)C1CC1	REAL300003611011	0	40	0.0	-72.49	331.70	8.84	-63.65
CC[N@@H+](CC(=O)NC1=CC(C(=O)[O-])=C(Br)C=C1C)C1CC1	REAL300003611011	1	40	0.0	-74.37	329.03	8.77	-65.60
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C(C)[NH+]1CCCCCC1	REAL300003611024	0	46	0.0	-71.50	351.55	9.30	-62.20
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CCC[N@H+]1C	REAL300003611027	1	37	0.0	-72.53	308.80	7.77	-64.76
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)[C@@H]1CCC[N@@H+]1C	REAL300003611027	1	37	0.0	-74.42	302.49	7.37	-67.05
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[NH2+]C(C)(C)C	REAL300003611070	0	39	0.0	-74.54	322.06	6.52	-68.02
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)CCCC[NH+]1CCCC1	REAL300003611071	0	46	0.0	-81.35	374.44	10.13	-71.22
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300003611073	1	43	0.0	-81.54	359.73	10.41	-71.13
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300003611073	1	43	0.0	-81.79	359.79	10.41	-71.38
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)[C@H](C(C)C)[NH+](C)C	REAL300003611080	0	42	0.0	-74.19	331.36	8.78	-65.41
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1=NOC(C[NH+](C)C)=C1	REAL300003611103	1	39	0.0	-84.51	341.15	7.79	-76.72
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1C(C)C	REAL300003611112	0	43	0.0	-77.69	335.56	8.81	-68.88
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1C(C)C	REAL300003611112	1	43	0.0	-71.41	341.41	8.85	-62.56
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)COC1CC[NH+](C)CC1	REAL300003611126	0	44	0.0	-88.93	363.05	8.81	-80.12
CCC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=C(Br)C=C2C)C1	REAL300003611227	0	46	0.0	-78.15	367.14	9.84	-68.31
CCC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=C(Br)C=C2C)C1	REAL300003611227	1	46	0.0	-69.85	360.37	10.01	-59.84
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+]1CC(C)C	REAL300003611243	0	46	0.0	-77.43	362.14	9.46	-67.97
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+]1CC(C)C	REAL300003611243	1	46	0.0	-74.19	367.08	9.97	-64.22
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C[NH+]1CCC(CO)CC1	REAL300003611244	1	44	0.0	-80.41	356.51	5.98	-74.43
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](C(C)C)C1	REAL300003611379	0	46	0.0	-76.72	362.24	9.61	-67.11
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](C(C)C)C1	REAL300003611379	1	46	0.0	-76.71	362.29	9.61	-67.10
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC(C(=O)[O-])=C(Br)C=C2C)N1	REAL300003611395	1	41	0.0	-73.90	353.34	8.10	-65.80
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)[C@H]1C[C@H]([NH+](C)C)C1	REAL300003611748	0	40	0.0	-78.07	332.62	8.55	-69.52
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300003611752	0	46	0.0	-76.42	355.16	9.49	-66.93
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](CC(C)C)C1	REAL300003611791	0	49	0.0	-71.92	376.40	10.74	-61.18
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](CC(C)C)C1	REAL300003611791	1	49	0.0	-71.92	376.40	10.74	-61.18
CC[N@@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=C(Br)C=C2C)C1	REAL300003611792	0	43	0.0	-69.78	340.30	9.34	-60.44
CC[N@H+]1CCCC(C(=O)NC2=CC(C(=O)[O-])=C(Br)C=C2C)C1	REAL300003611792	1	43	0.0	-69.78	340.30	9.34	-60.44
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@@H+](C)C1	REAL300003611797	0	40	0.0	-78.66	327.45	8.43	-70.23
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1CCC[N@H+](C)C1	REAL300003611797	1	40	0.0	-78.66	327.45	8.43	-70.23
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(CN(C)C)O1	REAL300003611799	0	40	0.0	-89.57	347.65	8.63	-80.94
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C[NH+](C)C)O1	REAL300003611799	1	40	0.0	-89.57	347.65	8.63	-80.94
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C(C)(C)C1CCC[N@@H+](C)C1	REAL300003611804	0	49	0.0	-82.55	373.12	9.93	-72.62
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C(C)(C)C1CCC[N@H+](C)C1	REAL300003611804	1	49	0.0	-82.55	373.12	9.93	-72.62
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C12CC(C1)CN2C1CC1	REAL300003611807	0	42	0.0	-78.27	340.55	9.35	-68.92
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003611807	1	42	0.0	-81.68	340.24	9.80	-71.88
CC1=CC(Br)=C(C(=O)[O-])C=C1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300003611807	1	42	0.0	-81.68	340.24	9.80	-71.88
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(COC3=CC=CC=C3Cl)C2)C1	REAL300003611875	0	54	0.0	-49.92	419.81	11.30	-38.62
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(COC3=CC=CC=C3Cl)C2)C1	REAL300003611875	1	54	0.0	-49.92	419.81	11.30	-38.62
O=C([O-])C1CCC[N@H+](CC(=O)NC2COC3=CC=C(Cl)C=C32)C1	REAL300003612089	0	42	0.0	-47.12	341.09	7.15	-39.97
O=C([O-])C1CCC[N@@H+](CC(=O)NC2COC3=CC=C(Cl)C=C32)C1	REAL300003612089	1	42	0.0	-47.26	340.37	6.69	-40.57
COC1=CC=C2CCCCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300003612204	0	51	0.0	-40.59	373.12	10.14	-30.45
COC1=CC=C2CCCCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300003612204	1	51	0.0	-43.00	379.62	10.18	-32.82
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3=CC=CC(F)=C32)C1	REAL300003612274	1	41	0.0	-51.81	318.61	9.59	-42.22
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3=CC=CC(F)=C32)C1	REAL300003612274	1	41	0.0	-55.67	312.30	9.54	-46.13
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(N3C=CC(C(F)(F)F)=N3)C2)C1	REAL300003612373	0	50	0.0	-51.72	387.95	8.70	-43.02
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(N3C=CC(C(F)(F)F)=N3)C2)C1	REAL300003612373	1	50	0.0	-55.72	394.85	9.17	-46.55
CC1CCCC2=CC=CC=C2C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003612483	0	53	0.0	-47.90	383.73	11.25	-36.65
CC1CCCC2=CC=CC=C2C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003612483	1	53	0.0	-49.72	386.69	11.16	-38.56
O=C([O-])C1CCC[N@H+](CC(=O)NCC2(C3=CC=C(Cl)C=C3Cl)CCC2)C1	REAL300003612586	0	50	0.0	-49.92	405.59	10.61	-39.31
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2(C3=CC=C(Cl)C=C3Cl)CCC2)C1	REAL300003612586	1	50	0.0	-46.79	398.75	10.61	-36.18
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC3(CCCC3)OC3=CC=CC=C32)C1	REAL300003612697	0	55	0.0	-51.14	403.87	9.73	-41.41
O=C([O-])C1CCC[N@@H+](CC(=O)NC2CC3(CCCC3)OC3=CC=CC=C32)C1	REAL300003612697	1	55	0.0	-50.63	402.40	9.83	-40.80
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3=CC=CC(Br)=C3C2)C1	REAL300003612824	0	41	0.0	-51.02	340.86	9.55	-41.47
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3=CC=CC(Br)=C3C2)C1	REAL300003612824	1	41	0.0	-45.30	333.37	9.08	-36.22
CC1=CC=CC=C1C(C)N(CC(C)C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003612943	0	58	0.0	-46.00	399.40	12.23	-33.77
CC1=CC=CC=C1C(C)N(CC(C)C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003612943	1	58	0.0	-41.47	400.22	11.74	-29.73
CCN(CC1=C(C)C=CO1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003613027	0	46	0.0	-45.11	347.38	9.24	-35.87
CCN(CC1=C(C)C=CO1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003613027	1	46	0.0	-48.25	346.22	9.06	-39.19
CC1=CC=C(SC2(CNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCCC2)C=C1	REAL300003613186	0	57	0.0	-47.96	423.14	11.48	-36.48
CC1=CC=C(SC2(CNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCCC2)C=C1	REAL300003613186	1	57	0.0	-47.86	428.37	11.65	-36.21
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOCC(F)(F)C2)C1	REAL300003613263	1	41	0.0	-54.56	312.02	6.24	-48.32
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOCC(F)(F)C2)C1	REAL300003613263	1	41	0.0	-51.36	310.50	6.70	-44.66
COC1=CC(OCCCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CC(OC)=C1	REAL300003613367	0	55	0.0	-52.38	426.50	6.36	-46.02
COC1=CC(OCCCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CC(OC)=C1	REAL300003613367	1	55	0.0	-53.06	427.14	6.38	-46.68
COC1=CC=CC(C=C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300003613585	0	55	0.0	-49.69	410.19	10.85	-38.84
COC1=CC=CC(C=C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300003613585	1	55	0.0	-46.42	402.71	10.39	-36.03
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC2C2=CC=C(F)C=C2F)C1	REAL300003613701	0	50	0.0	-49.32	376.44	10.93	-38.39
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC2C2=CC=C(F)C=C2F)C1	REAL300003613701	1	50	0.0	-48.28	369.76	10.90	-37.38
CC(C1=CC=CC=C1Br)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003613804	0	46	0.0	-46.12	362.00	10.34	-35.78
CC(C1=CC=CC=C1Br)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003613804	1	46	0.0	-45.96	362.81	10.31	-35.65
COCCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CC2CC1C1CCCC21	REAL300003613991	0	64	0.0	-45.62	432.72	10.98	-34.64
COCCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1CC2CC1C1CCCC21	REAL300003613991	1	64	0.0	-47.57	438.77	11.00	-36.57
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=CC=C(F)C=C3)CCOCC2)C1	REAL300003614088	0	51	0.0	-53.48	380.94	8.62	-44.86
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=CC=C(F)C=C3)CCOCC2)C1	REAL300003614088	1	51	0.0	-52.65	374.74	8.59	-44.06
COCC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300003614198	0	51	0.0	-45.70	363.64	5.69	-40.01
COCC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCOCC1	REAL300003614198	1	51	0.0	-46.59	369.85	5.75	-40.84
COCCOC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003614305	0	48	0.0	-52.05	363.44	5.99	-46.06
COCCOC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003614305	1	48	0.0	-46.46	362.26	5.55	-40.91
CC(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300003614404	0	49	0.0	-49.27	381.27	9.85	-39.42
CC(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300003614404	1	49	0.0	-49.73	381.88	9.86	-39.87
O=C([O-])C1CCC[N@H+](CC(=O)NC2COC3=CC=CC(F)=C32)C1	REAL300003614512	0	42	0.0	-46.25	330.73	6.70	-39.55
O=C([O-])C1CCC[N@@H+](CC(=O)NC2COC3=CC=CC(F)=C32)C1	REAL300003614512	1	42	0.0	-46.58	329.91	6.26	-40.32
COC(C1=CC=CC=C1F)C(C)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003614655	0	50	0.0	-48.63	382.37	8.46	-40.17
COC(C1=CC=CC=C1F)C(C)NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003614655	1	50	0.0	-48.61	384.78	8.59	-40.02
O=C([O-])C1=CC=C(CCC(=O)N2CC[NH+](CCO)CC2)C=C1	REAL300003614745	1	44	0.0	-79.04	345.68	6.13	-72.91
O=C([O-])C1=CC=C(C=CC(=O)N2CC[NH+](CCO)CC2)C=C1	REAL300003614746	1	42	0.0	-79.48	333.02	5.78	-73.70
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)N2CC[NH+](CCO)CC2)C=C1	REAL300003614747	1	46	0.0	-75.97	378.30	0.94	-75.03
O=C([O-])C1=CC=CC=C1CCC(=O)N1CC[NH+](CCO)CC1	REAL300003614752	1	44	0.0	-64.40	336.79	5.87	-58.53
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)N1CC[NH+](CCO)CC1	REAL300003614755	1	48	0.0	-80.10	366.17	8.08	-72.02
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CC[NH+](CCO)CC3)C2=C1	REAL300003614759	1	51	0.0	-67.63	378.28	7.54	-60.09
O=C([O-])C1=NN(CCCC(=O)N2CC[NH+](CCO)CC2)C=C1	REAL300003614765	1	44	0.0	-95.04	349.26	4.15	-90.89
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CC[NH+](CCO)CC2)C1	REAL300003614767	1	45	0.0	-75.24	341.78	3.46	-71.78
O=C([O-])C1=NC=CC=C1CCC(=O)N1CC[NH+](CCO)CC1	REAL300003614780	1	43	0.0	-67.97	332.50	4.10	-63.87
O=C([O-])C1=CC=C(/C=C/C(=O)N2CC[NH+](CCO)CC2)C=C1	REAL300003614781	1	42	0.0	-79.50	333.02	5.78	-73.72
O=C([O-])C1=CC=C(C=CC(=O)N2CC[NH+](CCO)CC2)C=N1	REAL300003614785	1	41	0.0	-80.12	328.83	3.98	-76.14
O=C([O-])C1=CC=CC2=C(C(=O)N3CC[NH+](CCO)CC3)C=CC=C12	REAL300003614786	1	44	0.0	-77.73	339.19	6.36	-71.37
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC[NH+](CCO)CC1	REAL300003614787	1	44	0.0	-90.11	341.00	5.77	-84.34
O=C([O-])C1=CC=C(CC(=O)N2CC[NH+](CCO)CC2)C=C1F	REAL300003614788	1	41	0.0	-91.63	328.81	5.30	-86.33
COC1CC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2C1	REAL300003614867	0	48	0.0	-48.15	362.32	7.79	-40.36
COC1CC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2C1	REAL300003614867	1	48	0.0	-51.75	363.44	8.22	-43.53
CCOCC(C)(C)CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003614943	0	49	0.0	-48.03	366.99	6.79	-41.24
CCOCC(C)(C)CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003614943	1	49	0.0	-45.48	360.27	6.36	-39.12
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(Cl)=C2OCC(F)F)C1	REAL300003615031	1	44	0.0	-49.11	368.14	8.67	-40.44
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(Cl)=C2OCC(F)F)C1	REAL300003615031	1	44	0.0	-52.59	373.62	8.65	-43.94
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CCCCCC2)C1	REAL300003615109	0	50	0.0	-48.09	369.71	8.95	-39.14
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CCCCCC2)C1	REAL300003615109	1	50	0.0	-47.34	368.96	8.93	-38.41
O=C([O-])C1CCC[N@H+](CC(=O)NC2(CC3=CC=CC=C3)CCCCC2)C1	REAL300003615210	0	56	0.0	-46.85	401.60	11.69	-35.16
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(CC3=CC=CC=C3)CCCCC2)C1	REAL300003615210	1	56	0.0	-45.19	395.08	11.75	-33.44
CC1=CC(C)=C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300003615326	0	50	0.0	-47.58	372.24	10.87	-36.71
CC1=CC(C)=C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2=C1	REAL300003615326	1	50	0.0	-48.74	371.36	10.86	-37.88
O=C([O-])C1CCC[N@H+](CC(=O)NC2(CC3=CC=C(F)C=C3)CC2)C1	REAL300003615436	0	47	0.0	-45.89	363.01	9.23	-36.66
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(CC3=CC=C(F)C=C3)CC2)C1	REAL300003615436	1	47	0.0	-49.62	369.07	9.43	-40.19
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2S1	REAL300003615552	0	46	0.0	-46.36	365.87	9.33	-37.03
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC2=CC=CC=C2S1	REAL300003615552	1	46	0.0	-46.60	366.72	9.79	-36.81
C[C@@H](CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)OC1=CC=C(Cl)C=C1	REAL300003615680	0	47	0.0	-48.67	375.05	8.10	-40.57
C[C@@H](CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)OC1=CC=C(Cl)C=C1	REAL300003615680	1	47	0.0	-46.80	373.90	7.67	-39.13
CCC(C)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(F)(F)F	REAL300003615793	1	45	0.0	-49.89	344.67	7.70	-42.19
CCC(C)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(F)(F)F	REAL300003615793	1	45	0.0	-49.70	344.05	7.74	-41.96
C=C(C)C1OCCC1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003615950	0	48	0.0	-49.62	365.75	6.49	-43.13
C=C(C)C1OCCC1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003615950	1	48	0.0	-50.12	366.91	6.49	-43.63
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2C[C@H](C3=CC=CC=C3F)C2)C1	REAL300003616058	0	47	0.0	-49.83	366.05	9.42	-40.41
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2C[C@H](C3=CC=CC=C3F)C2)C1	REAL300003616058	1	47	0.0	-47.73	359.38	9.39	-38.34
CCCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)[C@@H]1CCCC[C@H]1OC	REAL300003616237	0	59	0.0	-45.81	414.31	10.11	-35.70
CCCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)[C@@H]1CCCC[C@H]1OC	REAL300003616237	1	59	0.0	-43.16	417.23	10.57	-32.59
CC1=CC=C(CN(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300003616335	0	49	0.0	-48.67	366.06	10.68	-37.99
CC1=CC=C(CN(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C	REAL300003616335	1	49	0.0	-47.58	372.83	10.72	-36.86
COC1=CC(F)=CC(CC(C)NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003616454	0	50	0.0	-49.49	391.67	8.56	-40.93
COC1=CC(F)=CC(CC(C)NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003616454	1	50	0.0	-49.15	386.26	8.57	-40.58
CC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300003616582	0	45	0.0	-54.76	354.71	8.60	-46.16
CC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300003616582	1	45	0.0	-55.16	363.58	8.72	-46.44
CC(C)(C)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)O1	REAL300003616727	0	49	0.0	-46.52	374.08	8.29	-38.23
CC(C)(C)C1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)O1	REAL300003616727	1	49	0.0	-48.53	380.27	8.32	-40.21
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(OC(F)F)C=C2F)C1	REAL300003616962	0	44	0.0	-48.86	353.50	6.55	-42.31
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(OC(F)F)C=C2F)C1	REAL300003616962	1	44	0.0	-51.91	355.34	6.99	-44.92
O=C([O-])C1CCC[N@H+](CC(=O)NCCSCCC(F)(F)F)C1	REAL300003617090	0	43	0.0	-51.22	362.62	7.70	-43.52
O=C([O-])C1CCC[N@@H+](CC(=O)NCCSCCC(F)(F)F)C1	REAL300003617090	1	43	0.0	-50.55	361.98	7.68	-42.87
CC1(C2=CC=C(C(F)(F)F)C=C2)CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003617194	0	53	0.0	-49.56	400.56	11.98	-37.58
CC1(C2=CC=C(C(F)(F)F)C=C2)CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003617194	1	53	0.0	-50.48	407.30	12.02	-38.46
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)(F)F	REAL300003617257	0	45	0.0	-50.78	337.28	7.16	-43.62
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)(F)F	REAL300003617257	1	45	0.0	-47.39	330.57	6.73	-40.66
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC23CC2=CC=CC=C2C3)C1	REAL300003617351	0	51	0.0	-49.08	369.12	11.38	-37.70
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC23CC2=CC=CC=C2C3)C1	REAL300003617351	1	51	0.0	-46.85	374.61	11.34	-35.51
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=C(Cl)C=CC=C2OC(F)F)C1	REAL300003617466	0	44	0.0	-49.30	368.69	7.46	-41.84
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=C(Cl)C=CC=C2OC(F)F)C1	REAL300003617466	1	44	0.0	-48.95	362.47	7.44	-41.51
CCN(CC)S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003617584	0	56	0.0	-54.24	425.09	6.13	-48.11
CCN(CC)S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003617584	1	56	0.0	-52.94	413.03	5.48	-47.46
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1	REAL300003617690	0	43	0.0	-49.83	325.89	8.54	-41.29
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1	REAL300003617690	1	43	0.0	-46.40	324.37	7.92	-38.48
COC1=CC=CC=C1C1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300003617812	0	52	0.0	-50.05	392.70	8.31	-41.74
COC1=CC=CC=C1C1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCO1	REAL300003617812	1	52	0.0	-46.55	386.05	7.88	-38.67
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OC3=CC=CC(F)=C3)C2)C1	REAL300003617940	0	48	0.0	-50.43	369.49	9.35	-41.08
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OC3=CC=CC(F)=C3)C2)C1	REAL300003617940	1	48	0.0	-48.44	367.66	8.86	-39.58
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(OCC3CCCO3)CC2)C1	REAL300003618109	0	55	0.0	-47.09	398.32	7.39	-39.70
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(OCC3CCCO3)CC2)C1	REAL300003618109	1	55	0.0	-50.59	406.02	7.77	-42.82
COC1=CC=C(C2CN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCO2)C=C1	REAL300003618242	0	52	0.0	-50.90	395.16	8.24	-42.66
COC1=CC=C(C2CN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCO2)C=C1	REAL300003618242	1	52	0.0	-47.51	387.70	7.80	-39.71
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CC3=CC=CC=C3Cl)CC2)C1	REAL300003618369	0	53	0.0	-44.00	399.07	11.65	-32.35
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CC3=CC=CC=C3Cl)CC2)C1	REAL300003618369	1	53	0.0	-45.98	400.02	11.92	-34.06
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=NC(C4CCC4)=NO3)CC2)C1	REAL300003618491	0	55	0.0	-49.64	407.38	8.15	-41.49
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=NC(C4CCC4)=NO3)CC2)C1	REAL300003618491	1	55	0.0	-52.92	414.86	8.61	-44.31
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=C(F)C=C3)CC2)C1	REAL300003618614	0	50	0.0	-46.81	370.89	10.58	-36.23
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=C(F)C=C3)CC2)C1	REAL300003618614	1	50	0.0	-49.91	378.38	11.03	-38.88
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CC3=CC=CC=C3Cl)CC2)C1	REAL300003618742	0	53	0.0	-44.00	399.07	11.65	-32.35
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CC3=CC=CC=C3Cl)CC2)C1	REAL300003618742	1	53	0.0	-45.98	400.02	11.92	-34.06
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3CSCC3C2)C1	REAL300003618830	0	45	0.0	-46.76	331.35	8.42	-38.34
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3CSCC3C2)C1	REAL300003618830	1	45	0.0	-50.08	338.07	8.85	-41.23
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003618927	0	46	0.0	-49.12	361.30	10.44	-38.68
C[C@@H](C1=CC=C(Cl)C=C1)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003618927	1	46	0.0	-48.97	360.48	10.22	-38.75
COC1=CC=CC=C1[C@H](C)N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003619030	0	50	0.0	-46.39	375.47	9.15	-37.24
COC1=CC=CC=C1[C@H](C)N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003619030	1	50	0.0	-47.20	376.75	9.18	-38.02
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300003620383	0	51	0.0	-76.24	390.38	10.46	-65.78
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300003621165	0	48	0.0	-66.79	372.41	9.81	-56.98
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C2	REAL300003621165	1	48	0.0	-68.35	374.89	9.97	-58.38
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C2	REAL300003621949	1	48	0.0	-72.20	388.64	10.38	-61.82
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C2	REAL300003621949	1	48	0.0	-69.08	384.18	9.88	-59.20
CC1=[NH+]C=C2CCC(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)CN21	REAL300003622031	1	43	0.0	-64.38	337.63	7.98	-56.40
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C2	REAL300003622032	0	51	0.0	-67.31	393.58	10.40	-56.91
CC1=NC(C[NH+]2CCC(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)CC2)=CS1	REAL300003622097	1	50	0.0	-74.96	398.04	8.22	-66.74
C[NH+](C)CCOC1=CC=C(CCC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300003622170	0	54	0.0	-75.14	423.64	10.00	-65.14
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300003622184	0	54	0.0	-78.59	424.38	12.32	-66.27
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300003622184	1	54	0.0	-78.51	424.38	12.33	-66.18
CC1(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003622185	0	54	0.0	-68.67	403.88	10.90	-57.77
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300003622227	0	51	0.0	-72.35	405.14	10.77	-61.58
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300003622227	1	51	0.0	-71.60	405.82	10.77	-60.83
C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCCCC1	REAL300003622264	0	50	0.0	-69.73	354.07	8.82	-60.91
C[N@H+](CCC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1CCCCC1	REAL300003622267	0	50	0.0	-71.73	367.91	8.83	-62.90
C[N@@H+](CCC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1CCCCC1	REAL300003622267	1	50	0.0	-71.69	367.90	8.82	-62.87
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C2	REAL300003622291	1	51	0.0	-71.87	385.19	10.31	-61.56
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C2	REAL300003622291	1	51	0.0	-70.63	394.61	10.45	-60.18
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C2	REAL300003622292	1	48	0.0	-73.23	378.32	9.93	-63.30
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C2	REAL300003622292	1	48	0.0	-69.95	373.85	9.43	-60.52
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)C2	REAL300003622347	0	44	0.0	-74.38	358.93	7.89	-66.49
C[NH+](C)CCN1N=CC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300003622352	0	54	0.0	-77.19	426.72	10.05	-67.14
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCCC[N@@H+]1C1CCCC1)C2	REAL300003622378	0	51	0.0	-64.85	362.25	9.19	-55.66
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCCC[N@H+]1C1CCCC1)C2	REAL300003622378	1	51	0.0	-63.41	367.61	9.06	-54.35
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC([NH+]3CCOCC3)CC1)C2	REAL300003622379	0	52	0.0	-75.14	381.25	7.50	-67.64
O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622407	1	48	0.0	-74.77	367.77	6.83	-67.94
CC[N@H+](CC1=CC=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1)C(C)C	REAL300003622408	0	53	0.0	-73.98	393.42	10.21	-63.77
CC[N@@H+](CC1=CC=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1)C(C)C	REAL300003622408	1	53	0.0	-73.96	387.31	9.93	-64.03
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300003622431	0	48	0.0	-72.02	372.93	9.64	-62.38
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300003622431	1	48	0.0	-71.72	375.02	9.72	-62.00
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CC[NH+](C3CCSC3)CC1)C2	REAL300003622432	0	49	0.0	-78.49	373.04	9.12	-69.37
C[NH+]1CCN(C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300003622454	1	53	0.0	-70.16	402.88	8.53	-61.63
O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622455	0	52	0.0	-71.71	366.31	7.10	-64.61
CC(C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300003622458	0	47	0.0	-68.59	364.41	9.22	-59.37
CC(C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003622458	1	47	0.0	-69.39	364.24	9.20	-60.19
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@H+](CCC3=CC=CC=C3)C1)C2	REAL300003622468	0	54	0.0	-74.89	413.11	11.29	-63.60
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@@H+](CCC3=CC=CC=C3)C1)C2	REAL300003622468	1	54	0.0	-74.82	413.24	11.30	-63.52
C[NH+](C)CC1=CC=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=N1	REAL300003622499	0	43	0.0	-75.45	343.41	7.26	-68.19
CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622510	0	52	0.0	-71.36	392.06	9.47	-61.89
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C2	REAL300003622511	1	52	0.0	-66.74	398.44	7.17	-59.57
CC[N@H+](C)C(C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003622512	0	47	0.0	-65.92	362.53	9.35	-56.57
CC[N@@H+](C)C(C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003622512	1	47	0.0	-65.02	362.59	9.35	-55.67
CC[NH+](CC)C(C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003622517	0	50	0.0	-65.58	368.30	9.57	-56.01
C[NH+](C)C(C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300003622523	1	44	0.0	-70.38	360.89	9.25	-61.13
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)C2	REAL300003622537	0	48	0.0	-76.90	372.07	9.85	-67.05
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)C2	REAL300003622544	0	51	0.0	-73.14	388.99	10.56	-62.58
CCN1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)CC2)CC1	REAL300003622550	0	59	0.0	-73.17	424.12	8.19	-64.98
CC1C[NH+](CC2=CC=C(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300003622557	1	55	0.0	-79.77	422.59	9.60	-70.17
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622566	1	52	0.0	-77.20	393.47	9.24	-67.96
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622566	1	52	0.0	-80.39	397.79	9.74	-70.65
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300003622581	0	51	0.0	-67.24	378.78	10.24	-57.00
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C2	REAL300003622581	1	51	0.0	-66.15	388.20	10.39	-55.76
CC1=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300003622583	1	42	0.0	-79.06	345.05	7.11	-71.95
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)C2	REAL300003622591	0	51	0.0	-77.12	389.38	10.61	-66.51
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=NOC(C[NH+]3CCCC3)=C1)C2	REAL300003622602	1	44	0.0	-77.89	353.60	7.39	-70.50
C[NH+](C)CCC1=CC=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300003622603	0	47	0.0	-79.26	370.32	9.59	-69.67
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)C2	REAL300003622611	1	49	0.0	-73.96	376.24	9.09	-64.87
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)C2	REAL300003622611	1	49	0.0	-77.62	383.61	9.26	-68.36
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622617	0	58	0.0	-66.79	427.12	11.76	-55.03
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622617	1	58	0.0	-66.93	430.10	12.11	-54.82
CC(C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003622626	0	57	0.0	-69.49	427.81	11.73	-57.76
C[N@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622660	0	47	0.0	-73.60	368.78	9.69	-63.91
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622660	1	47	0.0	-73.72	368.82	9.70	-64.02
COCCOCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622661	0	51	0.0	-72.20	397.61	5.86	-66.34
COCCOCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622661	1	51	0.0	-72.89	397.69	5.86	-67.03
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622671	0	56	0.0	-76.70	423.80	9.38	-67.32
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C2	REAL300003622672	1	50	0.0	-70.04	383.20	8.64	-61.40
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C2	REAL300003622672	1	50	0.0	-71.43	373.88	8.51	-62.92
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C2	REAL300003622673	1	50	0.0	-71.69	374.32	8.39	-63.30
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C2	REAL300003622673	1	50	0.0	-70.64	382.84	8.60	-62.04
CC(C)[NH+]1CCN(CCC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	REAL300003622707	0	52	0.0	-69.92	384.61	6.41	-63.51
CC(C)N1CC[NH+](CCC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	REAL300003622707	1	52	0.0	-72.02	381.42	6.21	-65.81
CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	REAL300003622708	0	55	0.0	-68.96	404.91	7.07	-61.89
CC(C)N1CC[NH+](CCCC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	REAL300003622708	1	55	0.0	-72.27	402.85	7.01	-65.26
C[NH+](C)CCN1C=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=N1	REAL300003622710	0	44	0.0	-78.94	353.88	6.73	-72.21
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)CC2)=C1	REAL300003622715	0	56	0.0	-76.55	423.80	9.24	-67.31
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622717	0	53	0.0	-76.48	402.37	8.58	-67.90
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)C2	REAL300003622721	0	50	0.0	-74.96	385.50	8.57	-66.39
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)C2	REAL300003622721	1	50	0.0	-75.19	386.25	8.68	-66.51
CC(C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003622726	1	48	0.0	-69.42	367.94	9.60	-59.82
CC(C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003622726	1	48	0.0	-69.44	364.78	9.81	-59.63
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622754	0	51	0.0	-75.81	394.44	10.47	-65.34
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622754	1	51	0.0	-75.63	394.53	10.48	-65.15
C[NH+](C)CCN1C=CC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=N1	REAL300003622766	0	44	0.0	-79.96	354.21	6.75	-73.21
C[NH+](C)CCN1N=CC=C1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622767	0	44	0.0	-68.00	348.91	6.69	-61.31
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622772	1	45	0.0	-64.99	355.31	8.44	-56.55
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@H+](CC3=CC=CC(F)=C3)C1)C2	REAL300003622786	0	51	0.0	-70.96	390.57	10.68	-60.28
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@@H+](CC3=CC=CC(F)=C3)C1)C2	REAL300003622786	1	51	0.0	-73.91	390.74	10.69	-63.22
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)C2	REAL300003622787	1	47	0.0	-64.05	370.35	8.30	-55.75
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)C2	REAL300003622787	1	47	0.0	-65.43	363.30	7.55	-57.88
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)CC[NH+]1CCN(C3=CC=CC=N3)CC1)C2	REAL300003622791	0	52	0.0	-76.13	400.10	7.99	-68.14
CN1C=CN=C1C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	REAL300003622832	1	51	0.0	-78.05	391.52	8.90	-69.15
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CC[N@@H+](C3CCCCC3)C1)C2	REAL300003622833	0	51	0.0	-68.92	375.02	9.17	-59.75
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CC[N@H+](C3CCCCC3)C1)C2	REAL300003622833	1	51	0.0	-69.49	375.29	9.18	-60.31
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1C[N@H+](CC3=CC=CC=C3)CC13CCOC3)C2	REAL300003622853	0	56	0.0	-77.80	423.63	9.25	-68.55
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1C[N@@H+](CC3=CC=CC=C3)CC13CCOC3)C2	REAL300003622853	1	56	0.0	-75.19	421.44	9.62	-65.57
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003622860	0	48	0.0	-68.33	350.52	6.34	-61.99
CC(C)[N@@H+]1CCC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003622863	0	57	0.0	-72.24	407.84	8.31	-63.93
CC(C)[N@H+]1CCC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003622863	1	57	0.0	-72.92	419.10	8.97	-63.95
CN1C=C(C2C[N@H+](C)CCC2C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=N1	REAL300003622864	0	51	0.0	-79.07	393.21	8.06	-71.01
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=N1	REAL300003622864	1	51	0.0	-80.02	393.79	8.08	-71.94
C[NH+]1CCN(CC2=CC=CC(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)=C2)CC1	REAL300003622870	0	53	0.0	-71.52	405.41	7.98	-63.54
C[NH+]1CCN(CC2=CC=C(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C2)CC1	REAL300003622871	0	53	0.0	-74.97	406.03	8.13	-66.84
CN1CC[NH+](CC2=CC=C(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C2)CC1	REAL300003622871	1	53	0.0	-77.62	405.75	8.01	-69.61
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300003622872	0	54	0.0	-75.15	413.18	9.86	-65.29
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CC=C(C[NH+]3CCC(CO)CC3)C=C1)C2	REAL300003622967	0	55	0.0	-81.17	420.80	7.86	-73.31
C[NH+](C)CC1=CC=CC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300003622971	0	44	0.0	-75.07	347.62	8.73	-66.34
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300003622972	0	51	0.0	-68.50	384.14	10.62	-57.88
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300003622972	1	51	0.0	-68.41	384.08	10.62	-57.79
C[NH+](C)CC1=CC=CC=C1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003623028	0	44	0.0	-62.90	340.18	8.94	-53.96
CC[NH+]1CCN(CCC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	REAL300003623030	0	49	0.0	-71.49	367.87	5.89	-65.60
CCN1CC[NH+](CCC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1	REAL300003623030	1	49	0.0	-72.09	367.02	5.77	-66.32
CC(C)C(C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300003623033	0	50	0.0	-64.94	361.47	9.11	-55.83
C[NH+](C)C(C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003623034	1	44	0.0	-66.13	343.97	8.73	-57.40
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1(O)CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300003623038	0	49	0.0	-70.13	382.12	6.63	-63.50
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1(O)CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300003623038	1	49	0.0	-70.08	382.89	6.67	-63.41
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003623043	1	45	0.0	-64.97	355.09	8.41	-56.56
C[NH+](C)CC1=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300003623044	0	47	0.0	-68.60	368.76	9.06	-59.54
CC[NH+](CC)C(C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003623046	0	53	0.0	-69.95	407.49	10.45	-59.50
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@@H+]1C1CCCC1)C2	REAL300003623049	0	48	0.0	-65.76	352.32	8.79	-56.97
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCC[N@H+]1C1CCCC1)C2	REAL300003623049	1	48	0.0	-67.49	347.97	8.65	-58.84
CC(C)C(C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300003623071	1	54	0.0	-66.28	395.01	8.27	-58.01
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)=CC=C1N2	REAL300003623097	1	49	0.0	-78.89	382.40	9.14	-69.75
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)=CC=C1N2	REAL300003623097	1	49	0.0	-79.10	382.45	9.13	-69.97
CC[NH+](CC)CC1=CC=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)O1	REAL300003623149	0	47	0.0	-72.13	369.72	8.43	-63.70
CC1=CC=C(N2CCC(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300003623150	1	50	0.0	-68.14	383.31	8.14	-60.00
C[N@H+](CC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300003623151	1	44	0.0	-73.20	345.92	8.82	-64.38
C[N@@H+](CC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300003623151	1	44	0.0	-73.72	346.23	8.84	-64.88
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C2)CC1	REAL300003623154	0	56	0.0	-76.41	411.73	8.84	-67.57
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2	REAL300003623164	1	39	0.0	-77.95	328.56	6.67	-71.28
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003623197	0	51	0.0	-76.24	394.50	10.30	-65.94
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003623197	1	51	0.0	-73.42	390.75	10.21	-63.21
C[NH+](C)CCOC1=CC=C(C=CC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300003623215	0	52	0.0	-77.17	412.16	9.73	-67.44
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1=CC=C(C[NH+]3CCCCC3)O1)C2	REAL300003623233	0	48	0.0	-73.92	374.76	8.84	-65.08
CC(C)(C)[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003623263	0	50	0.0	-72.35	383.27	8.45	-63.90
CC(C)(C)[N@H+]1C[C@H](C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003623263	1	50	0.0	-69.82	382.57	8.55	-61.27
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)[C@]13CC[C@H]1C[N@H+](CC1=CC=CC=C1)C3)C2	REAL300003623496	0	52	0.0	-72.91	398.48	10.73	-62.18
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)[C@]13CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C3)C2	REAL300003623496	1	52	0.0	-74.87	398.75	10.75	-64.12
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C2	REAL300003623527	1	51	0.0	-70.75	394.80	10.49	-60.26
O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C2	REAL300003623527	1	51	0.0	-67.56	394.26	10.45	-57.11
C[N@@H+]1CC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003623608	0	41	0.0	-76.51	327.05	6.81	-69.70
C[N@H+]1CC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003623608	1	41	0.0	-80.93	320.66	7.32	-73.61
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)=C1	REAL300003624031	0	47	0.0	-76.14	370.17	9.58	-66.56
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C=C1	REAL300003624037	0	48	0.0	-76.86	377.62	8.54	-68.32
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL300003624112	0	54	0.0	-73.45	408.98	11.17	-62.28
CC1C[N@H+](CC2=CC=C(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C2)CCO1	REAL300003624114	1	52	0.0	-79.56	401.53	8.93	-70.63
CC1C[N@@H+](CC2=CC=C(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)C=C2)CCO1	REAL300003624114	1	52	0.0	-79.58	395.09	8.91	-70.67
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	REAL300003624199	0	50	0.0	-70.15	370.95	8.96	-61.19
CC(C)C[N@H+]1CCCC(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	REAL300003624199	1	50	0.0	-70.15	370.95	8.96	-61.19
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	REAL300003624205	0	50	0.0	-73.57	359.53	8.35	-65.22
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)C1	REAL300003624205	1	50	0.0	-73.57	359.53	8.35	-65.22
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(CC3=CC=C(Cl)C=C3)CC2)C1	REAL300003624287	0	53	0.0	-47.84	409.48	12.22	-35.62
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(CC3=CC=C(Cl)C=C3)CC2)C1	REAL300003624287	1	53	0.0	-47.84	409.48	12.22	-35.62
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003625651	0	51	0.0	-88.42	387.10	8.63	-79.79
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300003626428	0	48	0.0	-73.02	371.51	8.10	-64.92
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300003626428	1	48	0.0	-69.56	363.93	7.48	-62.08
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300003627230	1	48	0.0	-71.16	380.65	8.03	-63.13
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300003627230	1	48	0.0	-71.73	380.66	8.00	-63.73
CC1=[NH+]C=C2CCC(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])CN21	REAL300003627322	1	43	0.0	-71.59	336.24	6.18	-65.41
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300003627323	0	51	0.0	-80.80	381.19	8.16	-72.64
CC1=NC(C[NH+]2CCC(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])CC2)=CS1	REAL300003627388	1	50	0.0	-86.57	394.53	6.39	-80.18
C[NH+](C)CCOC1=CC=C(CCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300003627466	0	54	0.0	-86.34	422.12	8.19	-78.15
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300003627480	0	54	0.0	-85.87	421.11	10.45	-75.42
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300003627480	1	54	0.0	-86.92	421.06	10.44	-76.48
CC1(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300003627481	0	54	0.0	-73.07	399.49	9.00	-64.07
C[NH+](C)CC1(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CCCCC1	REAL300003627564	0	50	0.0	-80.43	350.40	7.07	-73.36
C[N@H+](CCC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C1CCCCC1	REAL300003627567	0	50	0.0	-78.53	364.50	6.99	-71.54
C[N@@H+](CCC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C1CCCCC1	REAL300003627567	1	50	0.0	-78.60	364.50	6.99	-71.61
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300003627591	1	51	0.0	-74.33	391.10	8.64	-65.69
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300003627591	1	51	0.0	-74.32	383.50	8.48	-65.84
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300003627592	1	48	0.0	-71.96	370.33	7.58	-64.38
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300003627592	1	48	0.0	-72.47	370.33	7.55	-64.92
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003627646	0	44	0.0	-86.88	355.25	6.03	-80.85
C[NH+](C)CCN1N=CC(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])=C1C1=CC=CC=C1	REAL300003627651	0	54	0.0	-88.73	419.38	8.15	-80.58
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300003627677	0	51	0.0	-67.81	362.87	7.17	-60.64
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300003627677	1	51	0.0	-66.65	365.52	7.21	-59.44
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003627678	0	52	0.0	-87.85	377.74	5.68	-82.17
O=C(CCCC[NH+]1CCOCC1)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003627706	1	48	0.0	-83.86	366.32	5.03	-78.83
CC[N@H+](CC1=CC=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003627708	0	53	0.0	-88.50	392.83	8.51	-79.99
CC[N@@H+](CC1=CC=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003627708	1	53	0.0	-89.44	384.02	8.20	-81.24
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003627732	0	48	0.0	-77.25	372.62	7.85	-69.40
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003627732	1	48	0.0	-78.45	371.01	7.93	-70.52
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003627733	0	49	0.0	-89.50	369.91	7.26	-82.24
C[NH+]1CCN(C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300003627756	1	53	0.0	-75.68	401.19	6.74	-68.94
O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003627757	0	52	0.0	-78.90	362.83	5.24	-73.66
CC(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003627760	0	47	0.0	-74.04	361.10	7.36	-66.68
CC(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003627760	1	47	0.0	-74.11	361.06	7.36	-66.75
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003627770	0	54	0.0	-69.66	403.39	9.67	-59.99
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003627770	1	54	0.0	-69.95	405.34	9.64	-60.31
C[NH+](C)CC1=CC=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C=N1	REAL300003627801	0	43	0.0	-86.78	340.01	5.03	-81.75
CCC[NH+](CCC)CCCC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003627812	0	52	0.0	-78.84	390.61	7.66	-71.18
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300003627813	1	52	0.0	-70.07	396.62	5.32	-64.75
CC[N@H+](C)C(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300003627814	0	47	0.0	-66.53	360.43	7.53	-59.00
CC[N@@H+](C)C(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300003627814	1	47	0.0	-71.36	353.68	7.35	-64.01
CC[NH+](CC)C(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300003627819	0	50	0.0	-72.07	367.52	7.90	-64.17
C[NH+](C)C(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300003627825	1	44	0.0	-73.02	359.40	7.41	-65.61
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003627839	0	48	0.0	-91.69	368.34	7.99	-83.70
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003627846	0	51	0.0	-81.91	385.82	8.74	-73.17
CCN1CCC([NH+]2CCC(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])CC2)CC1	REAL300003627852	0	59	0.0	-84.14	419.76	6.21	-77.93
CC1C[NH+](CC2=CC=C(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300003627859	1	55	0.0	-94.09	412.72	7.81	-86.28
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003627868	1	52	0.0	-90.48	395.58	7.92	-82.56
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003627868	1	52	0.0	-88.35	400.33	7.94	-80.41
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300003627882	0	51	0.0	-70.90	386.54	8.55	-62.35
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300003627882	1	51	0.0	-70.55	384.64	8.56	-61.99
CC1=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003627884	1	42	0.0	-87.39	341.75	5.30	-82.09
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003627892	0	51	0.0	-91.81	385.71	8.75	-83.06
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003627904	1	44	0.0	-84.13	350.44	5.57	-78.56
C[NH+](C)CCC1=CC=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300003627905	0	47	0.0	-94.32	366.64	7.74	-86.58
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003627913	1	49	0.0	-78.67	374.91	7.29	-71.38
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003627913	1	49	0.0	-86.57	382.13	7.41	-79.16
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003627919	0	58	0.0	-68.49	425.63	9.91	-58.58
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003627919	1	58	0.0	-67.78	425.21	9.95	-57.83
CC(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003627927	0	57	0.0	-69.88	426.25	9.88	-60.00
CC(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[NH+]1CCSCC1	REAL300003627959	1	42	0.0	-72.18	326.97	5.38	-66.80
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003627966	0	47	0.0	-75.38	365.23	7.83	-67.55
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003627966	1	47	0.0	-75.32	367.18	7.87	-67.45
COCCOCC[N@H+](C)CCC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003627967	0	51	0.0	-77.73	394.36	3.99	-73.74
COCCOCC[N@@H+](C)CCC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003627967	1	51	0.0	-79.45	394.27	4.01	-75.44
C[N@@H+]1CCCC(O)(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	REAL300003627970	0	45	0.0	-77.31	333.58	3.81	-73.50
C[N@H+]1CCCC(O)(CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	REAL300003627970	1	45	0.0	-77.62	325.66	3.67	-73.95
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003627978	0	56	0.0	-84.29	420.39	7.53	-76.76
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300003627979	1	50	0.0	-74.58	379.68	6.80	-67.78
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300003627979	1	50	0.0	-72.77	381.54	6.82	-65.95
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300003627980	1	50	0.0	-76.45	381.38	6.82	-69.63
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300003627980	1	50	0.0	-75.58	379.79	6.75	-68.83
CCCCCC[N@H+](C)CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003627981	0	49	0.0	-73.78	369.82	7.15	-66.63
CCCCCC[N@@H+](C)CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003627981	1	49	0.0	-73.73	369.81	7.14	-66.59
C[N@H+](CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C1CCSC1	REAL300003628005	0	42	0.0	-76.93	325.58	5.62	-71.31
C[N@@H+](CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C1CCSC1	REAL300003628005	1	42	0.0	-77.79	325.44	5.62	-72.17
CC(C)[NH+]1CCN(CCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300003628016	0	52	0.0	-80.33	379.44	4.39	-75.94
CC(C)N1CC[NH+](CCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300003628016	1	52	0.0	-77.62	378.03	4.35	-73.27
CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300003628017	0	55	0.0	-78.86	402.93	5.37	-73.49
CC(C)N1CC[NH+](CCCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300003628017	1	55	0.0	-80.09	402.26	5.36	-74.73
C[NH+](C)CCN1C=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C=N1	REAL300003628019	0	44	0.0	-88.02	350.40	4.90	-83.12
CC1=CC=CC(N2CC[NH+](CCC(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])CC2)=C1	REAL300003628024	0	56	0.0	-81.58	420.41	7.38	-74.20
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003628026	0	53	0.0	-81.58	398.98	6.71	-74.87
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003628030	0	50	0.0	-78.78	383.98	6.82	-71.96
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003628030	1	50	0.0	-78.19	375.77	7.03	-71.16
CC(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003628035	1	48	0.0	-72.46	363.01	7.96	-64.50
CC(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003628035	1	48	0.0	-71.57	361.52	7.91	-63.66
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003628063	0	51	0.0	-82.66	391.13	8.55	-74.11
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003628063	1	51	0.0	-83.54	389.49	8.55	-74.99
C[NH+](C)CCN1C=CC(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])=N1	REAL300003628075	0	44	0.0	-95.54	350.95	4.88	-90.66
C[NH+](C)CCN1N=CC=C1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003628076	0	44	0.0	-65.77	345.87	4.87	-60.90
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003628081	1	45	0.0	-71.75	353.86	6.62	-65.13
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003628095	0	51	0.0	-78.87	395.52	8.65	-70.22
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003628095	1	51	0.0	-72.11	389.05	8.90	-63.21
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300003628096	1	47	0.0	-67.12	368.83	6.49	-60.63
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300003628096	1	47	0.0	-67.84	361.64	5.69	-62.15
CC(C[NH+]1CCOCC1)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003628100	0	45	0.0	-68.96	339.04	4.23	-64.73
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003628101	0	52	0.0	-81.66	396.71	6.13	-75.53
CN1C=CN=C1C[NH+]1CCC(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300003628147	1	51	0.0	-91.46	389.15	7.09	-84.37
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003628148	0	51	0.0	-75.37	373.28	7.35	-68.02
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003628148	1	51	0.0	-74.05	373.45	7.31	-66.74
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300003628168	0	56	0.0	-83.04	421.83	7.53	-75.51
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300003628168	1	56	0.0	-79.59	417.34	7.50	-72.09
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003628175	0	48	0.0	-72.25	346.80	4.48	-67.77
CC(C)[N@@H+]1CCC(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003628178	0	57	0.0	-87.19	424.44	7.40	-79.79
CC(C)[N@H+]1CCC(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003628178	1	57	0.0	-89.23	417.29	6.87	-82.36
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C=N1	REAL300003628179	0	51	0.0	-89.80	384.13	5.83	-83.97
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C=N1	REAL300003628179	1	51	0.0	-88.94	391.77	6.27	-82.67
C[NH+]1CCN(CC2=CC=CC(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])=C2)CC1	REAL300003628185	0	53	0.0	-80.63	404.87	6.29	-74.34
C[NH+]1CCN(CC2=CC=C(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])C=C2)CC1	REAL300003628186	0	53	0.0	-87.94	404.56	6.37	-81.57
CN1CC[NH+](CC2=CC=C(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])C=C2)CC1	REAL300003628186	1	53	0.0	-92.74	402.24	6.20	-86.54
CC[NH+](CC)CCOC1=CC=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300003628187	0	54	0.0	-90.71	409.15	8.02	-82.69
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003628289	0	55	0.0	-95.89	417.39	6.05	-89.84
C[NH+](C)CC1=CC=CC(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300003628293	0	44	0.0	-83.10	344.40	6.84	-76.26
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003628294	0	51	0.0	-75.82	387.14	8.60	-67.22
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003628294	1	51	0.0	-75.61	387.26	8.56	-67.05
C[NH+](C)CC1=CC=CC=C1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003628350	0	44	0.0	-59.93	336.88	7.12	-52.81
CC[NH+]1CCN(CCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300003628352	0	49	0.0	-81.76	366.15	4.07	-77.69
CCN1CC[NH+](CCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300003628352	1	49	0.0	-77.97	363.45	3.92	-74.05
CC(C)C(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[NH+]1CCCCC1	REAL300003628355	0	50	0.0	-69.06	355.12	7.46	-61.60
C[NH+](C)C(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300003628356	1	44	0.0	-69.71	342.70	6.89	-62.82
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003628360	0	49	0.0	-73.81	381.64	4.89	-68.92
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003628360	1	49	0.0	-73.18	381.00	4.85	-68.33
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003628365	1	45	0.0	-71.26	351.63	6.52	-64.74
C[NH+](C)CC1=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])OC2=CC=CC=C21	REAL300003628366	0	47	0.0	-62.68	365.35	7.21	-55.47
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300003628370	0	48	0.0	-70.78	348.99	6.94	-63.84
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCC[N@H+]1C1CCCC1	REAL300003628370	1	48	0.0	-75.23	343.37	6.79	-68.44
CC(C)C(C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300003628394	1	54	0.0	-68.95	383.25	6.57	-62.38
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])=CC=C1N2	REAL300003628421	1	49	0.0	-87.69	381.11	7.29	-80.40
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])=CC=C1N2	REAL300003628421	1	49	0.0	-87.68	380.93	7.30	-80.38
CC[NH+](CC)CC1=CC=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])O1	REAL300003628474	0	47	0.0	-85.45	366.61	6.53	-78.92
CC1=CC=C(N2CCC(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300003628475	1	50	0.0	-79.87	381.69	6.33	-73.54
C[N@H+](CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300003628476	1	44	0.0	-76.83	342.75	6.98	-69.85
C[N@@H+](CC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300003628476	1	44	0.0	-76.65	342.91	6.97	-69.68
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])C=C2)CC1	REAL300003628479	0	56	0.0	-91.60	412.17	7.26	-84.34
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003628490	1	39	0.0	-85.98	325.55	4.81	-81.17
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003628524	0	51	0.0	-84.22	391.46	8.48	-75.74
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL300003628524	1	51	0.0	-84.12	392.43	8.47	-75.65
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300003628542	0	52	0.0	-91.18	408.50	7.87	-83.31
C[NH+]1CCC(OCC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300003628557	0	45	0.0	-87.77	346.16	5.48	-82.29
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003628561	0	48	0.0	-86.26	373.17	6.98	-79.28
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003628592	0	50	0.0	-79.44	381.85	6.64	-72.80
CC(C)(C)[N@H+]1C[C@H](C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003628592	1	50	0.0	-73.74	378.97	6.66	-67.08
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C[NH+]1CCC(CO)CC1	REAL300003628752	1	45	0.0	-76.12	339.61	2.55	-73.57
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300003628837	0	52	0.0	-80.97	396.98	8.89	-72.08
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300003628837	1	52	0.0	-81.48	397.18	8.90	-72.58
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300003628869	1	51	0.0	-69.13	383.55	8.46	-60.67
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300003628869	1	51	0.0	-69.35	391.17	8.59	-60.76
C[N@@H+]1CC(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300003628952	0	41	0.0	-79.97	321.69	5.66	-74.31
C[N@H+]1CC(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300003628952	1	41	0.0	-79.69	318.05	5.86	-73.83
C[NH+](C)CCC1=CC=CC(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300003629385	0	47	0.0	-84.93	366.89	7.68	-77.25
C[NH+](C)CCOC1=CC=C(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300003629391	0	48	0.0	-92.02	373.94	6.69	-85.33
O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003629470	0	54	0.0	-81.21	405.47	9.27	-71.94
CC1C[N@H+](CC2=CC=C(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])C=C2)CCO1	REAL300003629472	1	52	0.0	-92.95	393.48	7.05	-85.90
CC1C[N@@H+](CC2=CC=C(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])C=C2)CCO1	REAL300003629472	1	52	0.0	-94.28	398.29	7.10	-87.18
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	REAL300003629556	0	50	0.0	-67.66	358.36	7.24	-60.42
CC(C)C[N@H+]1CCCC(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	REAL300003629556	1	50	0.0	-67.66	358.36	7.24	-60.42
C[N@@H+]1CCCC(C(C)(C)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	REAL300003629564	0	50	0.0	-82.51	357.90	6.53	-75.98
C[N@H+]1CCCC(C(C)(C)C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])C1	REAL300003629564	1	50	0.0	-82.51	357.90	6.53	-75.98
O=C([O-])CNC(=O)CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003630832	0	47	0.0	-68.63	373.59	5.73	-62.90
O=C([O-])CNC(=O)CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300003631600	1	44	0.0	-57.25	350.65	4.67	-52.58
O=C([O-])CNC(=O)CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300003631600	1	44	0.0	-58.75	356.66	5.20	-53.55
O=C([O-])CNC(=O)CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300003632394	0	47	0.0	-60.22	368.41	5.23	-54.99
CC1=NC(C[NH+]2CCC(C(=O)NCC(=O)NCC(=O)[O-])CC2)=CS1	REAL300003632455	1	46	0.0	-67.30	381.31	3.54	-63.76
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC(=O)NCC(=O)[O-])C=C1	REAL300003632511	0	50	0.0	-68.28	406.85	5.28	-63.00
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC(=O)NCC(=O)[O-])=C1	REAL300003632524	0	50	0.0	-71.97	407.63	7.62	-64.35
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NCC(=O)NCC(=O)[O-])=C1	REAL300003632524	1	50	0.0	-71.53	407.64	7.63	-63.90
CC1(C(=O)NCC(=O)NCC(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300003632525	0	50	0.0	-61.07	386.52	6.20	-54.87
O=C([O-])CNC(=O)CNC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003632564	0	47	0.0	-64.44	388.85	6.08	-58.36
O=C([O-])CNC(=O)CNC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003632564	1	47	0.0	-64.02	390.02	6.08	-57.94
O=C([O-])CNC(=O)CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003632668	0	40	0.0	-68.16	341.93	3.17	-64.99
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CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CCO1	REAL300003636774	0	48	0.0	-73.23	362.36	9.38	-63.85
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CCO1	REAL300003636774	1	48	0.0	-71.69	363.38	9.37	-62.32
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CCO1	REAL300003637576	1	48	0.0	-76.68	378.85	9.91	-66.77
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CCO1	REAL300003637576	1	48	0.0	-76.75	378.69	9.91	-66.84
CC1=[NH+]C=C2CCC(C(=O)N3CCOC(C)(C(=O)[O-])C3)CN12	REAL300003637668	1	43	0.0	-69.92	324.71	7.32	-62.60
CC1(C(=O)[O-])CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CCO1	REAL300003637669	0	51	0.0	-72.73	379.06	9.76	-62.97
CC1=NC(C[NH+]2CCC(C(=O)N3CCOC(C)(C(=O)[O-])C3)CC2)=CS1	REAL300003637734	1	50	0.0	-61.99	388.11	7.74	-54.25
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300003637812	0	54	0.0	-81.67	414.59	9.69	-71.98
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300003637826	0	54	0.0	-83.73	413.31	11.61	-72.12
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300003637826	1	54	0.0	-71.56	415.42	11.67	-59.89
CC1(C(=O)N2CCOC(C)(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003637827	0	54	0.0	-59.50	381.08	9.86	-49.64
C[NH+](C)CC1(C(=O)N2CCOC(C)(C(=O)[O-])C2)CCCCC1	REAL300003637910	0	50	0.0	-75.74	335.12	8.30	-67.44
C[N@H+](CCC(=O)N1CCOC(C)(C(=O)[O-])C1)C1CCCCC1	REAL300003637913	0	50	0.0	-78.70	358.92	8.55	-70.15
C[N@@H+](CCC(=O)N1CCOC(C)(C(=O)[O-])C1)C1CCCCC1	REAL300003637913	1	50	0.0	-78.73	358.94	8.53	-70.20
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300003637937	1	51	0.0	-74.95	372.86	9.57	-65.38
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300003637937	1	51	0.0	-73.69	383.62	10.08	-63.61
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300003637938	1	48	0.0	-77.72	368.53	9.45	-68.27
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CCO1	REAL300003637938	1	48	0.0	-77.71	368.37	9.46	-68.25
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CCO1	REAL300003637992	0	44	0.0	-80.90	348.79	7.14	-73.76
C[NH+](C)CCN1N=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300003637997	0	54	0.0	-81.10	416.01	9.46	-71.64
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CCO1	REAL300003638023	0	51	0.0	-66.25	355.23	8.61	-57.64
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2C2CCCC2)CCO1	REAL300003638023	1	51	0.0	-66.22	355.75	8.64	-57.58
CC1(C(=O)[O-])CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CCO1	REAL300003638024	0	52	0.0	-64.15	371.88	7.06	-57.09
CC1(C(=O)[O-])CN(C(=O)CCCC[NH+]2CCOCC2)CCO1	REAL300003638052	1	48	0.0	-81.95	358.76	6.51	-75.44
CC[N@H+](CC1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300003638054	0	53	0.0	-83.78	377.98	9.30	-74.48
CC[N@@H+](CC1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1)C(C)C	REAL300003638054	1	53	0.0	-85.28	380.69	9.62	-75.66
CC1(C(=O)[O-])CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300003638078	0	48	0.0	-78.10	361.84	9.22	-68.88
CC1(C(=O)[O-])CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300003638078	1	48	0.0	-78.43	361.72	9.25	-69.18
CC1(C(=O)[O-])CN(C(=O)C2CC[NH+](C3CCSC3)CC2)CCO1	REAL300003638079	0	49	0.0	-66.23	363.81	8.69	-57.54
C[NH+]1CCN(C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300003638102	1	53	0.0	-66.51	382.95	7.01	-59.50
CC1(C(=O)[O-])CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CCO1	REAL300003638103	0	52	0.0	-77.97	357.20	6.80	-71.17
CC(C(=O)N1CCOC(C)(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300003638106	0	47	0.0	-73.65	352.57	8.81	-64.84
CC(C(=O)N1CCOC(C)(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003638106	1	47	0.0	-72.99	353.24	8.82	-64.17
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CCO1	REAL300003638116	0	54	0.0	-75.38	395.45	10.99	-64.39
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CCO1	REAL300003638116	1	54	0.0	-59.63	394.52	10.89	-48.74
C[NH+](C)CC1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=N1	REAL300003638147	0	43	0.0	-82.04	333.42	6.48	-75.56
CCC[NH+](CCC)CCCC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638158	0	52	0.0	-78.15	383.05	9.15	-69.00
CC1(C(=O)[O-])CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CCO1	REAL300003638159	1	52	0.0	-69.91	384.43	6.63	-63.28
CC[N@H+](C)C(C(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003638160	0	47	0.0	-67.09	348.40	8.79	-58.30
CC[N@@H+](C)C(C(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003638160	1	47	0.0	-67.76	348.56	8.80	-58.96
CC[NH+](CC)C(C(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003638165	0	50	0.0	-68.53	356.14	9.23	-59.30
C[NH+](C)C(C(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300003638171	1	44	0.0	-71.00	348.53	8.63	-62.37
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CCO1	REAL300003638185	0	48	0.0	-85.22	362.67	9.14	-76.08
CC1(C(=O)[O-])CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CCO1	REAL300003638192	0	51	0.0	-66.84	380.28	9.93	-56.91
CCN1CCC([NH+]2CCC(C(=O)N3CCOC(C)(C(=O)[O-])C3)CC2)CC1	REAL300003638198	0	59	0.0	-61.11	414.84	7.75	-53.36
CC1C[NH+](CC2=CC=C(C(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300003638205	1	55	0.0	-89.02	413.64	8.95	-80.07
CC1(C(=O)[O-])CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300003638214	1	52	0.0	-86.13	394.77	9.46	-76.67
CC1(C(=O)[O-])CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300003638214	1	52	0.0	-89.25	388.09	9.41	-79.84
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CCO1	REAL300003638228	0	51	0.0	-70.69	366.39	9.50	-61.19
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CCO1	REAL300003638228	1	51	0.0	-71.01	369.74	9.69	-61.32
CC1=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300003638230	1	42	0.0	-82.35	336.69	6.50	-75.85
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CCO1	REAL300003638238	0	51	0.0	-84.48	380.30	9.92	-74.56
CC1(C(=O)[O-])CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CCO1	REAL300003638250	1	44	0.0	-81.36	341.91	7.35	-74.01
C[NH+](C)CCC1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300003638251	0	47	0.0	-85.99	361.23	8.90	-77.09
CC1(C(=O)[O-])CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300003638259	1	49	0.0	-85.37	370.89	8.73	-76.64
CC1(C(=O)[O-])CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CCO1	REAL300003638259	1	49	0.0	-57.16	363.48	8.54	-48.62
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638265	0	58	0.0	-70.16	426.47	10.54	-59.62
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638265	1	58	0.0	-66.60	420.39	10.29	-56.31
CC(C(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003638273	0	57	0.0	-71.79	416.82	11.30	-60.49
CC(C(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CCSCC1	REAL300003638305	1	42	0.0	-72.88	317.83	6.84	-66.04
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638312	0	47	0.0	-77.74	359.65	9.32	-68.42
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638312	1	47	0.0	-77.79	359.66	9.31	-68.48
COCCOCC[N@H+](C)CCC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638313	0	51	0.0	-78.07	388.65	5.55	-72.52
COCCOCC[N@@H+](C)CCC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638313	1	51	0.0	-79.54	388.71	5.58	-73.96
C[N@@H+]1CCCC(O)(CC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300003638316	0	45	0.0	-76.29	327.91	5.35	-70.94
C[N@H+]1CCCC(O)(CC(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300003638316	1	45	0.0	-77.06	318.22	5.19	-71.87
CC1(C(=O)[O-])CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CCO1	REAL300003638324	0	56	0.0	-83.53	414.82	9.08	-74.45
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CCO1	REAL300003638325	1	50	0.0	-75.06	361.33	7.76	-67.30
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CCO1	REAL300003638325	1	50	0.0	-73.85	372.10	8.24	-65.61
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CCO1	REAL300003638326	1	50	0.0	-75.72	361.22	7.63	-68.09
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CCO1	REAL300003638326	1	50	0.0	-72.63	361.26	7.73	-64.90
CCCCCC[N@H+](C)CC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638327	0	49	0.0	-75.66	364.25	8.63	-67.03
CCCCCC[N@@H+](C)CC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638327	1	49	0.0	-75.63	364.24	8.63	-67.00
C[N@H+](CC(=O)N1CCOC(C)(C(=O)[O-])C1)C1CCSC1	REAL300003638351	0	42	0.0	-78.95	320.00	7.12	-71.83
C[N@@H+](CC(=O)N1CCOC(C)(C(=O)[O-])C1)C1CCSC1	REAL300003638351	1	42	0.0	-77.94	319.80	7.14	-70.80
CC(C)[NH+]1CCN(CCC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300003638362	0	52	0.0	-76.99	375.87	6.12	-70.87
CC(C)N1CC[NH+](CCC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300003638362	1	52	0.0	-78.40	372.38	5.92	-72.48
CC(C)[NH+]1CCN(CCCC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300003638363	0	55	0.0	-75.11	397.35	6.92	-68.19
CC(C)N1CC[NH+](CCCC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300003638363	1	55	0.0	-79.08	394.18	6.75	-72.33
C[NH+](C)CCN1C=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=N1	REAL300003638365	0	44	0.0	-83.18	341.53	6.04	-77.14
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCOC(C)(C(=O)[O-])C3)CC2)=C1	REAL300003638370	0	56	0.0	-82.81	414.73	8.95	-73.86
CC1(C(=O)[O-])CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CCO1	REAL300003638372	0	53	0.0	-82.62	393.32	8.29	-74.33
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CCO1	REAL300003638376	0	50	0.0	-85.97	375.91	8.22	-77.75
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CCO1	REAL300003638376	1	50	0.0	-80.58	366.86	8.02	-72.56
CC(C(=O)N1CCOC(C)(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003638381	1	48	0.0	-74.20	354.94	9.21	-64.99
CC(C(=O)N1CCOC(C)(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003638381	1	48	0.0	-72.36	356.64	9.15	-63.21
CC1(C(=O)[O-])CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300003638409	0	51	0.0	-83.07	385.49	10.16	-72.91
CC1(C(=O)[O-])CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300003638409	1	51	0.0	-83.06	385.97	10.17	-72.89
C[NH+](C)CCN1C=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=N1	REAL300003638421	0	44	0.0	-89.23	342.00	6.70	-82.53
C[NH+](C)CCN1N=CC=C1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638422	0	44	0.0	-66.71	337.53	6.12	-60.59
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638427	1	45	0.0	-70.52	346.48	8.15	-62.37
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=NN1	REAL300003638430	1	45	0.0	-83.04	343.39	6.27	-76.77
C[N@H+]1CCCC1C1=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=NN1	REAL300003638430	1	45	0.0	-83.35	343.74	6.25	-77.10
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CCO1	REAL300003638441	0	51	0.0	-65.57	387.56	10.06	-55.51
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CCO1	REAL300003638441	1	51	0.0	-79.91	378.38	9.94	-69.97
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CCO1	REAL300003638442	1	47	0.0	-69.85	353.30	7.37	-62.48
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CCO1	REAL300003638442	1	47	0.0	-76.18	354.98	7.41	-68.77
CC(C[NH+]1CCOCC1)C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638446	0	45	0.0	-78.13	329.28	5.36	-72.77
CC1(C(=O)[O-])CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CCO1	REAL300003638447	0	52	0.0	-82.69	391.05	7.70	-74.99
CC1(C(=O)[O-])CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CCO1	REAL300003638494	0	51	0.0	-77.16	362.54	8.67	-68.49
CC1(C(=O)[O-])CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)CCO1	REAL300003638494	1	51	0.0	-77.78	362.40	8.62	-69.16
CC1(C(=O)[O-])CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)CCO1	REAL300003638514	0	56	0.0	-85.13	404.66	8.66	-76.47
CC1(C(=O)[O-])CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)CCO1	REAL300003638514	1	56	0.0	-79.13	409.27	8.78	-70.35
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638521	0	48	0.0	-76.50	331.69	5.46	-71.04
CC(C)[N@@H+]1CCC(C(=O)N2CCOC(C)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003638524	0	57	0.0	-78.04	404.72	8.52	-69.52
CC(C)[N@H+]1CCC(C(=O)N2CCOC(C)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003638524	1	57	0.0	-63.85	419.67	8.78	-55.07
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCOC(C)(C(=O)[O-])C2)C=N1	REAL300003638525	0	51	0.0	-81.20	370.47	7.35	-73.85
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCOC(C)(C(=O)[O-])C2)C=N1	REAL300003638525	1	51	0.0	-82.08	364.96	7.10	-74.98
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCOC(C)(C(=O)[O-])C3)=C2)CC1	REAL300003638531	0	53	0.0	-74.83	396.46	7.47	-67.36
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300003638532	0	53	0.0	-80.71	396.48	7.30	-73.41
CN1CC[NH+](CC2=CC=C(C(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300003638532	1	53	0.0	-86.81	396.81	7.37	-79.44
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300003638533	0	54	0.0	-81.61	399.28	8.89	-72.72
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)CCO1	REAL300003638635	0	55	0.0	-86.92	411.98	7.23	-79.69
C[NH+](C)CC1=CC=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300003638639	0	44	0.0	-80.43	336.83	8.01	-72.42
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300003638640	0	51	0.0	-76.39	381.09	9.98	-66.41
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300003638640	1	51	0.0	-76.42	381.07	10.00	-66.42
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638696	0	44	0.0	-63.71	335.45	8.08	-55.63
CC[NH+]1CCN(CCC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300003638698	0	49	0.0	-78.47	359.13	5.61	-72.86
CCN1CC[NH+](CCC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300003638698	1	49	0.0	-78.41	359.13	5.60	-72.81
CC(C)C(C(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300003638701	0	50	0.0	-69.77	344.76	8.31	-61.46
C[NH+](C)C(C(=O)N1CCOC(C)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003638702	1	44	0.0	-67.62	331.73	8.12	-59.50
CC1(C(=O)[O-])CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CCO1	REAL300003638706	0	49	0.0	-75.39	371.11	6.22	-69.17
CC1(C(=O)[O-])CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CCO1	REAL300003638706	1	49	0.0	-58.36	361.44	6.04	-52.32
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638711	1	45	0.0	-69.77	345.91	8.09	-61.68
C[NH+](C)CC1=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300003638712	0	47	0.0	-63.69	363.12	8.82	-54.87
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@@H+]2C2CCCC2)CCO1	REAL300003638716	0	48	0.0	-71.88	335.54	8.29	-63.59
CC1(C(=O)[O-])CN(C(=O)C2CCC[N@H+]2C2CCCC2)CCO1	REAL300003638716	1	48	0.0	-52.43	343.96	8.14	-44.29
CC(C)C(C(=O)N1CCOC(C)(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300003638740	1	54	0.0	-69.17	373.62	7.18	-61.99
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCOC(C)(C(=O)[O-])C3)=CC=C1N2	REAL300003638767	1	49	0.0	-85.97	373.10	8.46	-77.51
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCOC(C)(C(=O)[O-])C3)=CC=C1N2	REAL300003638767	1	49	0.0	-86.93	373.08	8.46	-78.47
CC[NH+](CC)CC1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)O1	REAL300003638820	0	47	0.0	-80.64	356.71	8.02	-72.62
CC1=CC=C(N2CCC(C(=O)N3CCOC(C)(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300003638821	1	50	0.0	-58.02	373.29	7.83	-50.19
C[N@H+](CC(=O)N1CCOC(C)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300003638822	1	44	0.0	-78.75	337.18	8.48	-70.27
C[N@@H+](CC(=O)N1CCOC(C)(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300003638822	1	44	0.0	-78.70	337.18	8.48	-70.22
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)CC1	REAL300003638825	0	56	0.0	-83.90	404.47	8.38	-75.52
CC1(C(=O)[O-])CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CCO1	REAL300003638836	1	39	0.0	-81.38	317.55	6.03	-75.35
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638870	0	51	0.0	-78.07	380.30	10.17	-67.90
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOC(C)(C(=O)[O-])C1	REAL300003638870	1	51	0.0	-78.15	376.36	9.76	-68.39
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300003638888	0	52	0.0	-71.09	401.89	9.38	-61.71
C[NH+]1CCC(OCC(=O)N2CCOC(C)(C(=O)[O-])C2)CC1	REAL300003638903	0	45	0.0	-83.56	340.44	7.06	-76.50
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CCO1	REAL300003638907	0	48	0.0	-82.40	362.30	8.43	-73.97
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCOC(C)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003638938	0	50	0.0	-58.05	373.50	8.07	-49.98
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCOC(C)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003638938	1	50	0.0	-72.55	369.54	7.85	-64.70
CC1(C(=O)[O-])CN(C(=O)C[NH+]2CCC(CO)CC2)CCO1	REAL300003639098	0	45	0.0	-75.41	334.15	4.06	-71.35
CC1(C(=O)[O-])CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CCO1	REAL300003639183	0	52	0.0	-59.15	380.00	9.99	-49.16
CC1(C(=O)[O-])CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CCO1	REAL300003639183	1	52	0.0	-84.97	387.10	10.09	-74.88
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CCO1	REAL300003639215	1	51	0.0	-69.90	383.15	10.04	-59.86
CC1(C(=O)[O-])CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CCO1	REAL300003639215	1	51	0.0	-69.22	383.13	10.03	-59.19
C[N@@H+]1CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003639298	0	41	0.0	-80.42	319.56	6.41	-74.01
C[N@H+]1CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003639298	1	41	0.0	-87.99	305.34	6.23	-81.76
C[NH+](C)CCC1=CC=CC(C(=O)N2CCOC(C)(C(=O)[O-])C2)=C1	REAL300003639731	0	47	0.0	-80.17	359.36	8.86	-71.31
C[NH+](C)CCOC1=CC=C(C(=O)N2CCOC(C)(C(=O)[O-])C2)C=C1	REAL300003639737	0	48	0.0	-83.43	367.87	7.82	-75.61
CC1(C(=O)[O-])CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CCO1	REAL300003639816	0	54	0.0	-79.11	400.21	10.88	-68.23
CC1C[N@H+](CC2=CC=C(C(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)CCO1	REAL300003639818	1	52	0.0	-87.23	392.92	8.30	-78.93
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCOC(C)(C(=O)[O-])C3)C=C2)CCO1	REAL300003639818	1	52	0.0	-88.89	390.74	8.22	-80.67
CC(C)C[N@@H+]1CCCC(C(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300003639902	0	50	0.0	-58.49	361.22	8.50	-49.99
CC(C)C[N@H+]1CCCC(C(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300003639902	1	50	0.0	-58.49	361.22	8.50	-49.99
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300003639910	0	50	0.0	-81.92	335.33	7.07	-74.85
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCOC(C)(C(=O)[O-])C2)C1	REAL300003639910	1	50	0.0	-81.92	335.33	7.07	-74.85
CC1(C)C(C2=CC=CC=C2F)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003639985	0	53	0.0	-50.48	384.77	11.30	-39.18
CC1(C)C(C2=CC=CC=C2F)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003639985	1	53	0.0	-50.48	384.77	11.30	-39.18
O=C([O-])C1CCC[N@H+](CC(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)C1	REAL300003640102	0	47	0.0	-50.14	362.86	8.45	-41.69
O=C([O-])C1CCC[N@@H+](CC(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)C1	REAL300003640102	1	47	0.0	-50.77	356.30	8.47	-42.30
CC(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300003640229	0	52	0.0	-57.97	408.27	6.28	-51.69
CC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300003640229	1	52	0.0	-55.65	407.14	5.84	-49.81
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CC2CC1C1CC12	REAL300003640311	0	48	0.0	-48.21	346.94	8.54	-39.67
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1CC2CC1C1CC12	REAL300003640311	1	48	0.0	-47.47	339.97	8.49	-38.98
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC[C@@H]1C[C@H]1C1CCOCC1	REAL300003640408	0	51	0.0	-49.18	376.79	7.48	-41.70
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC[C@@H]1C[C@H]1C1CCOCC1	REAL300003640408	1	51	0.0	-49.17	376.75	7.45	-41.72
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(OC)=C1OC	REAL300003640518	0	54	0.0	-46.73	406.04	7.76	-38.97
CCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(OC)=C1OC	REAL300003640518	1	54	0.0	-46.20	402.79	8.01	-38.19
C[NH+](C)CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(I)=C1	REAL300003640644	0	36	0.0	-68.70	315.02	7.45	-61.25
C[C@@H](C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(I)=C1)[NH+](C)C	REAL300003640660	0	39	0.0	-57.59	340.04	8.48	-49.11
C[C@H](C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(I)=C1)[NH+](C)C	REAL300003640662	0	39	0.0	-52.01	339.79	8.60	-43.41
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC(C1CCC1)C1CCOC1	REAL300003640778	0	51	0.0	-49.33	375.09	7.73	-41.60
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC(C1CCC1)C1CCOC1	REAL300003640778	1	51	0.0	-45.22	355.18	7.53	-37.69
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(OC3CCC3)CC2)C1	REAL300003640896	0	54	0.0	-48.99	391.40	9.90	-39.09
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(OC3CCC3)CC2)C1	REAL300003640896	1	54	0.0	-45.02	384.04	9.45	-35.57
COC1=CC=CC(C2(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CCOCC2)=C1F	REAL300003641001	0	55	0.0	-56.81	396.55	7.49	-49.32
COC1=CC=CC(C2(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CCOCC2)=C1F	REAL300003641001	1	55	0.0	-57.06	403.32	7.53	-49.53
CCN1N=NC(C)=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003641069	0	45	0.0	-52.24	347.81	5.16	-47.08
CCN1N=NC(C)=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003641069	1	45	0.0	-53.57	345.86	4.72	-48.85
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003641165	0	53	0.0	-50.97	394.58	11.57	-39.40
CC1(CC2=CC=C(F)C(F)=C2)CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003641165	1	53	0.0	-48.24	393.56	11.13	-37.11
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300003641200	0	47	0.0	-72.47	365.53	8.26	-64.21
C[NH+](C)CCCC1CN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)CCO1	REAL300003641201	0	51	0.0	-70.56	396.59	8.53	-62.03
C[NH+](C)CCCC1CN(C(=O)C2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300003641202	0	47	0.0	-78.61	365.51	8.24	-70.37
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(C(=O)[O-])S2)CCO1	REAL300003641203	0	44	0.0	-69.96	356.33	7.30	-62.66
C[NH+](C)CCCC1CN(C(=O)C2=CC=CC(C(=O)[O-])=N2)CCO1	REAL300003641204	0	46	0.0	-66.50	360.51	7.31	-59.19
CC(SC1=CC=CC=C1C(=O)N1CCOC(CCC[NH+](C)C)C1)C(=O)[O-]	REAL300003641205	0	54	0.0	-71.30	422.72	10.03	-61.27
CCOC1=CC(C(=O)N2CCOC(CCC[NH+](C)C)C2)=CC=C1OCC(=O)[O-]	REAL300003641206	0	58	0.0	-75.94	446.64	9.18	-66.76
C[NH+](C)CCCC1CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300003641207	0	53	0.0	-77.90	411.40	10.08	-67.82
C[NH+](C)CCCC1CN(C(=O)C2=CC=NC(C(=O)[O-])=C2)CCO1	REAL300003641208	0	46	0.0	-65.41	360.21	6.45	-58.96
C[NH+](C)CCCC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300003641209	0	51	0.0	-77.19	398.76	9.74	-67.45
C[NH+](C)CCCC1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CCO1	REAL300003641210	0	49	0.0	-64.55	393.68	8.90	-55.65
C[NH+](C)CCCC1CN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CCO1	REAL300003641211	0	49	0.0	-64.55	393.68	8.90	-55.65
C[NH+](C)CCCC1CN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CCO1	REAL300003641212	0	54	0.0	-77.02	419.71	9.32	-67.70
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(C(=O)[O-])O2)CCO1	REAL300003641213	0	44	0.0	-65.36	348.55	6.86	-58.50
C[NH+](C)CCCC1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CCO1	REAL300003641214	0	53	0.0	-76.81	402.79	9.79	-67.02
CC1=CC(C(=O)N2CCOC(CCC[NH+](C)C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300003641215	0	57	0.0	-72.45	439.66	10.02	-62.43
C[NH+](C)CCCC1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300003641216	0	50	0.0	-80.72	390.00	9.26	-71.46
C[NH+](C)CCCC1CN(C(=O)C2CCCC(C(=O)[O-])C2)CCO1	REAL300003641217	0	53	0.0	-69.07	390.63	8.65	-60.42
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(C(=O)[O-])N=C2)CCO1	REAL300003641218	0	46	0.0	-68.97	360.25	6.33	-62.64
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CCO1	REAL300003641219	0	46	0.0	-65.82	359.78	7.32	-58.50
C[NH+](C)CCCC1CN(C(=O)CC(C)(C)CC(=O)[O-])CCO1	REAL300003641220	0	52	0.0	-72.69	374.47	8.00	-64.69
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)CCO1	REAL300003641221	0	47	0.0	-71.44	370.47	8.24	-63.20
C[NH+](C)CCCC1CN(C(=O)C2=CN=C(C(=O)[O-])C=N2)CCO1	REAL300003641222	0	45	0.0	-67.47	355.15	5.45	-62.02
C[NH+](C)CCCC1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CCO1	REAL300003641223	0	53	0.0	-72.56	389.04	8.59	-63.97
C[NH+](C)CCCC1CN(C(=O)C2CCC(C(=O)[O-])CC2)CCO1	REAL300003641224	0	53	0.0	-81.22	381.32	8.39	-72.83
C[NH+](C)CCCC1CN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300003641225	0	50	0.0	-83.33	389.99	9.25	-74.08
C[NH+](C)CCCC1CN(C(=O)CN2C=C(C(=O)[O-])N=N2)CCO1	REAL300003641226	0	46	0.0	-85.07	367.16	5.17	-79.90
CC1=NC(C(=O)N2CCOC(CCC[NH+](C)C)C2)=CC=C1C(=O)[O-]	REAL300003641227	0	49	0.0	-67.56	380.29	7.93	-59.63
C[NH+](C)CCCC1CN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CCO1	REAL300003641228	0	47	0.0	-72.19	386.80	8.83	-63.36
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300003641229	0	47	0.0	-72.47	365.53	8.26	-64.21
C[NH+](C)CCCC1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300003641230	0	50	0.0	-79.03	369.97	7.97	-71.06
C[NH+](C)CCCC1CN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)CCO1	REAL300003641231	0	50	0.0	-76.88	387.68	9.01	-67.87
C[NH+](C)CCCC1CN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CCO1	REAL300003641232	0	57	0.0	-86.33	432.47	12.05	-74.28
C[NH+](C)CCCC1CN(C(=O)C2=C(CC(=O)[O-])OC=C2)CCO1	REAL300003641233	0	47	0.0	-70.71	367.58	7.28	-63.43
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641234	0	50	0.0	-80.02	395.13	8.06	-71.96
C[NH+](C)CCCC1CN(C(=O)C2=CC(C(=O)[O-])=CC=N2)CCO1	REAL300003641235	0	46	0.0	-73.05	359.86	7.31	-65.74
C[NH+](C)CCCC1CN(C(=O)C23CC(C(=O)[O-])(C2)C3)CCO1	REAL300003641236	0	48	0.0	-71.87	363.41	7.89	-63.98
C[NH+](C)CCCC1CN(C(=O)CC2CCC(C(=O)[O-])CC2)CCO1	REAL300003641237	0	56	0.0	-78.93	410.11	9.51	-69.42
C[NH+](C)CCCC1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CCO1	REAL300003641238	0	54	0.0	-83.06	391.63	8.62	-74.44
C[NH+](C)CCCC1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCO1	REAL300003641239	0	57	0.0	-74.08	399.78	8.87	-65.21
C[NH+](C)CCCC1CN(C(=O)CC(C)(C)CC(=O)[O-])CCO1	REAL300003641240	0	52	0.0	-72.69	374.47	8.00	-64.69
CC(CC(=O)[O-])CC(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641241	0	49	0.0	-75.34	364.72	7.63	-67.71
C[NH+](C)CCCC1CN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CCO1	REAL300003641242	0	49	0.0	-85.81	393.41	7.24	-78.57
C[NH+](C)CCCC1CN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CCO1	REAL300003641243	0	54	0.0	-77.74	416.32	9.38	-68.36
C[NH+](C)CCCC1CN(C(=O)C2=NOC(C(=O)[O-])=C2)CCO1	REAL300003641244	0	43	0.0	-64.35	343.00	6.37	-57.98
C[NH+](C)CCCC1CN(C(=O)C2(C(=O)[O-])CCCC2)CCO1	REAL300003641245	0	50	0.0	-62.16	358.87	7.56	-54.60
C[NH+](C)CCCC1CN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CCO1	REAL300003641246	0	60	0.0	-76.16	444.13	11.47	-64.69
CC1=C(C(=O)N2CCOC(CCC[NH+](C)C)C2)C=C(C(=O)[O-])O1	REAL300003641247	0	47	0.0	-71.15	368.67	7.49	-63.66
CC1=C(C(=O)[O-])OC(C(=O)N2CCOC(CCC[NH+](C)C)C2)=C1	REAL300003641248	0	47	0.0	-65.79	366.47	7.44	-58.35
C[NH+](C)CCCC1CN(C(=O)CN2C=C(C(=O)[O-])C=N2)CCO1	REAL300003641249	0	47	0.0	-81.80	372.07	6.69	-75.11
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)CCO1	REAL300003641250	0	48	0.0	-68.43	381.65	8.08	-60.35
C[NH+](C)CCCC1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CCO1	REAL300003641251	0	54	0.0	-67.39	396.72	8.99	-58.40
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)CCO1	REAL300003641252	0	51	0.0	-72.50	396.54	8.53	-63.97
C[NH+](C)CCCC1CN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CCO1	REAL300003641253	0	56	0.0	-80.05	432.55	9.06	-70.99
C[NH+](C)CCCC1CN(C(=O)CCSCC(=O)[O-])CCO1	REAL300003641254	0	47	0.0	-71.44	375.15	7.77	-63.67
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(C(=O)[O-])C=N2)CCO1	REAL300003641255	0	46	0.0	-65.82	359.78	7.32	-58.50
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641256	0	47	0.0	-73.52	363.92	5.93	-67.59
C[C@@H]1C[C@H](C(=O)N2CCOC(CCC[NH+](C)C)C2)O[C@H]1C(=O)[O-]	REAL300003641257	0	51	0.0	-79.54	383.55	7.90	-71.64
C[NH+](C)CCCC1CN(C(=O)C(C)(C)CCC(=O)[O-])CCO1	REAL300003641258	0	52	0.0	-78.59	375.15	7.60	-70.99
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)CCO1	REAL300003641259	0	50	0.0	-72.15	386.69	8.99	-63.16
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CCO1	REAL300003641260	0	51	0.0	-71.85	396.66	9.49	-62.36
C[NH+](C)CCCC1CN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)CCO1	REAL300003641261	0	48	0.0	-74.15	383.27	8.00	-66.15
C[NH+](C)CCCC1CN(C(=O)C2=CC=CC=C2CCC(=O)[O-])CCO1	REAL300003641262	0	53	0.0	-73.32	405.04	9.70	-63.62
C[NH+](C)CCCC1CN(C(=O)COCC2=C(C(=O)[O-])N=CO2)CCO1	REAL300003641263	0	50	0.0	-86.19	398.11	4.36	-81.83
C[NH+](C)CCCC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)CCO1	REAL300003641264	0	48	0.0	-71.43	384.84	8.35	-63.08
C[NH+](C)CCCC1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1	REAL300003641265	0	50	0.0	-79.03	369.97	7.97	-71.06
CC1=CC=C(C(=O)N2CCOC(CCC[NH+](C)C)C2)C=C1C(=O)[O-]	REAL300003641266	0	50	0.0	-78.15	380.56	8.75	-69.40
C[NH+](C)CCCC1CN(C(=O)C2=CN=CC(C(=O)[O-])=C2)CCO1	REAL300003641267	0	46	0.0	-71.60	360.55	6.39	-65.21
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641268	0	49	0.0	-67.81	378.33	7.02	-60.79
C[NH+](C)CCCC1CN(C(=O)CN2C=CC(C(=O)[O-])=N2)CCO1	REAL300003641269	0	47	0.0	-93.89	371.36	6.69	-87.20
C[NH+](C)CCCC1CN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)CCO1	REAL300003641270	0	53	0.0	-92.12	415.01	8.12	-84.00
C[NH+](C)CCCC1CN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CCO1	REAL300003641271	0	54	0.0	-82.16	405.26	8.35	-73.81
C[NH+](C)CCCC1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CCO1	REAL300003641272	0	54	0.0	-75.34	408.12	7.37	-67.97
CC1=C(C(=O)N2CCOC(CCC[NH+](C)C)C2)OC(C(=O)[O-])=C1	REAL300003641273	0	47	0.0	-65.97	366.27	7.55	-58.42
C[NH+](C)CCCC1CN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CCO1	REAL300003641274	0	55	0.0	-70.66	388.19	9.69	-60.97
CC(C)C(C(=O)[O-])C(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641275	0	49	0.0	-64.71	356.57	7.33	-57.38
C[NH+](C)CCCC1CN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CCO1	REAL300003641276	0	53	0.0	-80.83	378.18	8.61	-72.22
C[NH+](C)CCCC1CN(C(=O)CN2CCCC(C(=O)[O-])C2)CCO1	REAL300003641277	1	55	0.0	-72.87	405.21	6.60	-66.27
C[NH+](C)CCCC1CN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CCO1	REAL300003641278	0	54	0.0	-65.48	409.50	10.16	-55.32
C[NH+](C)CCCC1CN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CCO1	REAL300003641279	0	54	0.0	-77.74	416.32	9.38	-68.36
C[NH+](C)CCCC1CN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CCO1	REAL300003641280	0	54	0.0	-90.16	423.38	10.65	-79.51
C[NH+](C)CCCC1CN(C(=O)C2CC3(CC3C(=O)[O-])C2)CCO1	REAL300003641281	0	51	0.0	-73.24	386.69	8.87	-64.37
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641282	0	53	0.0	-84.67	394.20	9.66	-75.01
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641283	0	50	0.0	-72.13	383.11	8.85	-63.28
C[NH+](C)CCCC1CN(C(=O)C2CC(C)(C(=O)[O-])C2)CCO1	REAL300003641284	0	50	0.0	-67.54	374.06	7.96	-59.58
C[NH+](C)CCCC1CN(C(=O)C2=C(C(=O)[O-])SC=C2)CCO1	REAL300003641285	0	44	0.0	-77.42	353.20	8.12	-69.30
C[NH+](C)CCCC1CN(C(=O)C2=CC(C(=O)[O-])=NN2)CCO1	REAL300003641286	0	44	0.0	-76.81	345.84	5.02	-71.79
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641287	0	49	0.0	-69.42	372.90	6.88	-62.54
CCCC(C(=O)[O-])C(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641288	0	49	0.0	-64.93	362.27	7.54	-57.39
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641289	0	50	0.0	-72.76	383.88	8.83	-63.93
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CCO1	REAL300003641290	0	47	0.0	-70.59	379.63	8.68	-61.91
C[NH+](C)CCCC1CN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)CCO1	REAL300003641291	0	54	0.0	-75.14	405.51	9.38	-65.76
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCOC(CCC[NH+](C)C)C2)=C1	REAL300003641292	0	50	0.0	-64.16	390.17	6.60	-57.56
CN1C(C(=O)[O-])=CC=C1C(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641293	0	48	0.0	-72.96	364.84	7.42	-65.54
C[NH+](C)CCCC1CN(C(=O)C2(C(=O)[O-])CC=CC2)CCO1	REAL300003641294	0	48	0.0	-68.80	353.45	7.53	-61.27
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)CCO1	REAL300003641295	0	53	0.0	-71.48	408.09	9.79	-61.69
CC1=NNC(C(=O)N2CCOC(CCC[NH+](C)C)C2)=C1C(=O)[O-]	REAL300003641296	0	47	0.0	-75.47	361.05	6.31	-69.16
CC1=C(C(=O)[O-])C(C(=O)N2CCOC(CCC[NH+](C)C)C2)=NN1	REAL300003641296	1	47	0.0	-84.25	360.37	6.77	-77.48
C[NH+](C)CCCC1CN(C(=O)CC2(CC(=O)[O-])CC2)CCO1	REAL300003641297	0	50	0.0	-69.82	379.26	8.32	-61.50
C[NH+](C)CCCC1CN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CCO1	REAL300003641298	0	51	0.0	-71.89	398.99	9.04	-62.85
C[NH+](C)CCCC1CN(C(=O)C2=CSC(C(=O)[O-])=N2)CCO1	REAL300003641299	0	43	0.0	-62.70	351.71	6.18	-56.52
CC1=C(C(=O)N2CCOC(CCC[NH+](C)C)C2)C=C(C(=O)[O-])S1	REAL300003641300	0	47	0.0	-70.59	376.13	8.08	-62.51
C[NH+](C)CCCC1CN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CCO1	REAL300003641301	0	47	0.0	-73.95	392.11	8.73	-65.22
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCOC(CCC[NH+](C)C)C2)=C1	REAL300003641302	0	51	0.0	-72.77	406.86	7.95	-64.82
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641303	0	50	0.0	-65.84	389.64	8.84	-57.00
C[NH+](C)CCCC1CN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CCO1	REAL300003641304	0	50	0.0	-80.73	398.44	9.49	-71.24
C[NH+](C)CCCC1CN(C(=O)CCC2=CC=CN=C2C(=O)[O-])CCO1	REAL300003641305	0	52	0.0	-81.34	398.99	8.03	-73.31
C[NH+](C)CCCC1CN(C(=O)C23CC(C(=O)[O-])(C2)CO3)CCO1	REAL300003641306	0	49	0.0	-68.71	373.10	6.40	-62.31
C[NH+](C)CCCC1CN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CCO1	REAL300003641307	0	51	0.0	-77.19	398.80	9.76	-67.43
C[NH+](C)CCCC1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CCO1	REAL300003641308	0	54	0.0	-67.39	396.72	8.99	-58.40
CN1N=CC(C(=O)[O-])=C1C(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641309	0	47	0.0	-79.91	371.90	5.92	-73.99
C[NH+](C)CCCC1CN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CCO1	REAL300003641310	0	48	0.0	-69.01	387.26	7.79	-61.22
C[NH+](C)CCCC1CN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CCO1	REAL300003641311	0	48	0.0	-73.84	387.39	7.87	-65.97
C[NH+](C)CCCC1CN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CCO1	REAL300003641312	0	48	0.0	-69.42	378.60	6.91	-62.51
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641313	0	50	0.0	-75.03	378.93	8.69	-66.34
C[NH+](C)CCCC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CCO1	REAL300003641314	0	50	0.0	-78.64	394.54	7.97	-70.67
C=C1CCC1(C(=O)[O-])C(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641315	0	48	0.0	-66.61	354.37	7.38	-59.23
C[NH+](C)CCCC1CN(C(=O)C2=CC(C(=O)[O-])=CS2)CCO1	REAL300003641316	0	44	0.0	-78.60	355.38	7.17	-71.43
C[NH+](C)CCCC1CN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CCO1	REAL300003641317	0	52	0.0	-80.01	384.72	6.83	-73.18
C[NH+](C)CCCC1CN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CCO1	REAL300003641318	0	53	0.0	-76.17	403.90	10.31	-65.86
CC(C)[C@]1(C(=O)N2CCOC(CCC[NH+](C)C)C2)C[C@H]1C(=O)[O-]	REAL300003641319	0	53	0.0	-73.82	389.53	8.27	-65.55
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCOC(CCC[NH+](C)C)C1	REAL300003641320	0	53	0.0	-84.25	406.73	9.72	-74.53
C[NH+](C)CCCC1CN(C(=O)CC2=CC(C(=O)[O-])=CS2)CCO1	REAL300003641321	0	47	0.0	-80.07	381.53	8.39	-71.68
C[NH+](C)CCCC1CN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CCO1	REAL300003641322	0	50	0.0	-86.12	394.54	9.28	-76.84
C[NH+](C)CCCC1CN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CCO1	REAL300003641323	0	50	0.0	-72.85	371.10	8.54	-64.31
C[NH+](C)CCCC1CN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CCO1	REAL300003641324	0	54	0.0	-72.27	415.40	9.79	-62.48
C[NH+](C)CCCC1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCO1	REAL300003641325	0	57	0.0	-74.08	399.78	8.87	-65.21
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC(F)(C3=CC=CC=C3)C2)C1	REAL300003641403	0	50	0.0	-46.30	367.97	10.40	-35.90
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC(F)(C3=CC=CC=C3)C2)C1	REAL300003641403	1	50	0.0	-49.53	369.14	10.85	-38.68
O=C([O-])C1=CC(O)=CC=C1NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003642543	0	48	0.0	-65.46	376.34	8.20	-57.26
O=C([O-])C1=CC(O)=CC=C1NC(=O)C1CC[NH+](C2CC2)CC1	REAL300003643874	0	42	0.0	-60.79	328.68	5.99	-54.80
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CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=CC=C(O)C=C3C(=O)[O-])C=C2)CC1	REAL300003644877	0	53	0.0	-71.16	401.85	6.86	-64.30
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(O)C=C1C(=O)[O-]	REAL300003644916	0	48	0.0	-63.79	376.22	8.15	-55.64
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(O)C=C1C(=O)[O-]	REAL300003644916	1	48	0.0	-64.34	376.31	8.00	-56.34
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=C(O)C=C2C(=O)[O-])C=C1	REAL300003644936	0	49	0.0	-71.93	398.14	7.48	-64.45
C[NH+]1CCC(OCC(=O)NC2=CC=C(O)C=C2C(=O)[O-])CC1	REAL300003644947	0	42	0.0	-67.62	334.47	4.92	-62.70
O=C([O-])C1=CC(O)=CC=C1NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003644953	0	45	0.0	-64.31	361.82	6.69	-57.62
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])C1	REAL300003645089	0	44	0.0	-56.67	332.79	6.18	-50.49
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])C1	REAL300003645089	1	44	0.0	-59.82	338.52	5.94	-53.88
O=C([O-])C1=CC(O)=CC=C1NC(=O)C[NH+]1CCC(CO)CC1	REAL300003645118	1	42	0.0	-54.84	330.23	2.18	-52.66
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])C1	REAL300003645287	0	44	0.0	-55.75	328.60	5.99	-49.76
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])C1	REAL300003645287	1	44	0.0	-56.67	327.58	5.93	-50.74
C[N@@H+]1CC(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])C(C(F)(F)F)C1	REAL300003645288	0	38	0.0	-70.12	307.54	4.73	-65.39
C[N@H+]1CC(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])C(C(F)(F)F)C1	REAL300003645288	1	38	0.0	-70.35	307.58	4.84	-65.51
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(O)C=C2C(=O)[O-])N1	REAL300003645312	1	39	0.0	-54.80	325.90	4.28	-50.52
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])=C1	REAL300003645669	0	44	0.0	-73.05	356.31	7.32	-65.73
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])C=C1	REAL300003645674	0	45	0.0	-72.27	363.64	6.30	-65.97
O=C([O-])C1=CC(O)=CC=C1NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003645755	0	51	0.0	-66.37	394.21	8.87	-57.50
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C(O)C=C3C(=O)[O-])C=C2)CCO1	REAL300003645757	1	49	0.0	-71.74	381.20	6.66	-65.08
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(O)C=C3C(=O)[O-])C=C2)CCO1	REAL300003645757	1	49	0.0	-71.96	381.22	6.66	-65.30
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(O)C=C2C(=O)[O-])CC1	REAL300003645782	0	44	0.0	-64.27	327.07	5.60	-58.67
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(O)C=C3C(=O)[O-])=CN12	REAL300003645787	0	36	0.0	-59.54	307.25	6.28	-53.26
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])C1	REAL300003645834	0	47	0.0	-57.70	346.91	6.86	-50.84
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])C1	REAL300003645834	1	47	0.0	-59.19	356.00	6.61	-52.58
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(O)C=C2C(=O)[O-])O1	REAL300003645839	1	38	0.0	-64.68	319.17	4.72	-59.96
O=C([O-])C1=CC(O)=CC=C1NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003645846	1	40	0.0	-53.02	311.56	5.52	-47.50
O=C([O-])C1=CC(O)=CC=C1NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300003645846	1	40	0.0	-51.22	313.78	6.17	-45.05
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=NN=NN1C1CC1	REAL300003645918	0	45	0.0	-49.72	351.75	5.73	-43.99
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=NN=NN1C1CC1	REAL300003645918	1	45	0.0	-49.67	351.82	5.73	-43.94
CC1=CC=C(OC2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)C(C)=C1	REAL300003646035	0	54	0.0	-51.44	420.25	11.52	-39.92
CC1=CC=C(OC2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)C(C)=C1	REAL300003646035	1	54	0.0	-55.77	414.25	11.54	-44.23
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(F)C(C(F)F)=C2)C1	REAL300003646207	1	40	0.0	-56.05	323.70	8.28	-47.77
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(F)C(C(F)F)=C2)C1	REAL300003646207	1	40	0.0	-53.89	326.62	8.20	-45.69
CC(CC(=O)[O-])(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1CC1	REAL300003647310	0	53	0.0	-76.11	387.92	10.26	-65.85
CC1=[NH+]C=C2CCC(C(=O)NC(C)(CC(=O)[O-])C3CC3)CN21	REAL300003648598	1	45	0.0	-62.57	335.65	7.81	-54.76
CC1=NC(C[NH+]2CCC(C(=O)NC(C)(CC(=O)[O-])C3CC3)CC2)=CS1	REAL300003648650	1	52	0.0	-75.43	395.84	8.04	-67.39
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(C)(CC(=O)[O-])C2CC2)C=C1	REAL300003648712	0	56	0.0	-77.22	420.65	10.24	-66.98
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C)(CC(=O)[O-])C2CC2)=C1	REAL300003648718	0	56	0.0	-78.31	421.54	12.54	-65.77
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C)(CC(=O)[O-])C2CC2)=C1	REAL300003648718	1	56	0.0	-77.47	421.54	12.55	-64.92
C[NH+](C)CC1(C(=O)NC(C)(CC(=O)[O-])C2CC2)CCCCC1	REAL300003648786	0	52	0.0	-57.52	348.36	9.03	-48.49
C[N@H+](CCC(=O)NC(C)(CC(=O)[O-])C1CC1)C1CCCCC1	REAL300003648788	0	52	0.0	-69.62	365.50	8.61	-61.01
C[N@@H+](CCC(=O)NC(C)(CC(=O)[O-])C1CC1)C1CCCCC1	REAL300003648788	1	52	0.0	-69.40	365.51	8.61	-60.79
CC(CC(=O)[O-])(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1CC1	REAL300003648847	0	46	0.0	-78.24	357.01	7.69	-70.55
CC(CC(=O)[O-])(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1CC1	REAL300003648866	0	54	0.0	-59.67	372.51	7.17	-52.50
CC(CC(=O)[O-])(NC(=O)CCCC[NH+]1CCOCC1)C1CC1	REAL300003648890	1	50	0.0	-74.03	365.36	6.62	-67.41
CC[N@H+](CC1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2CC2)C=C1)C(C)C	REAL300003648891	0	55	0.0	-76.51	390.45	9.98	-66.53
CC[N@@H+](CC1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2CC2)C=C1)C(C)C	REAL300003648891	1	55	0.0	-76.69	384.78	9.70	-66.99
CC(CC(=O)[O-])(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300003648908	0	50	0.0	-68.93	371.73	9.49	-59.44
CC(CC(=O)[O-])(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300003648908	1	50	0.0	-70.27	371.72	9.94	-60.33
CC(CC(=O)[O-])(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1CC1	REAL300003648909	0	51	0.0	-78.10	370.65	8.92	-69.18
CC(CC(=O)[O-])(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1CC1	REAL300003648931	0	54	0.0	-72.28	361.65	7.37	-64.91
CC(C(=O)NC(C)(CC(=O)[O-])C1CC1)[N@H+](C)CC1=CC=CC=C1	REAL300003648934	0	49	0.0	-66.03	360.75	9.02	-57.01
CC(C(=O)NC(C)(CC(=O)[O-])C1CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300003648934	1	49	0.0	-65.55	361.82	9.03	-56.52
CC(CC(=O)[O-])(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1CC1	REAL300003648942	0	56	0.0	-74.61	410.06	11.50	-63.11
CC(CC(=O)[O-])(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1CC1	REAL300003648942	1	56	0.0	-73.74	410.09	11.52	-62.22
C[NH+](C)CC1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2CC2)C=N1	REAL300003648959	0	45	0.0	-77.75	340.61	7.47	-70.28
CCC[NH+](CCC)CCCC(=O)NC(C)(CC(=O)[O-])C1CC1	REAL300003648966	0	54	0.0	-69.26	389.32	9.25	-60.01
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1CC1	REAL300003648984	0	50	0.0	-79.87	370.03	9.68	-70.19
CC(CC(=O)[O-])(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1CC1	REAL300003648989	0	53	0.0	-73.28	386.39	10.80	-62.48
CCN1CCC([NH+]2CCC(C(=O)NC(C)(CC(=O)[O-])C3CC3)CC2)CC1	REAL300003648995	0	61	0.0	-73.20	416.66	7.63	-65.57
CC1C[NH+](CC2=CC=C(C(=O)NC(C)(CC(=O)[O-])C3CC3)C=C2)CC(C)O1	REAL300003649002	1	57	0.0	-84.22	419.69	9.83	-74.39
CC(CC(=O)[O-])(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300003649011	1	54	0.0	-79.72	394.62	9.43	-70.29
CC(CC(=O)[O-])(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CC1	REAL300003649011	1	54	0.0	-78.78	401.00	9.89	-68.89
CC1=C(C(=O)NC(C)(CC(=O)[O-])C2CC2)C=NN1C1=CC=[NH+]C=C1	REAL300003649025	1	44	0.0	-79.02	342.43	7.35	-71.67
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1CC1	REAL300003649028	0	53	0.0	-79.46	386.77	10.39	-69.07
CC(CC(=O)[O-])(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1CC1	REAL300003649039	1	46	0.0	-75.56	350.06	7.56	-68.00
C[NH+](C)CCC1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2CC2)C=C1	REAL300003649040	0	49	0.0	-81.86	367.70	9.38	-72.48
CC(C(=O)NC(C)(CC(=O)[O-])C1CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003649053	0	59	0.0	-65.53	425.10	11.55	-53.98
CC(C(=O)NC(C)(CC(=O)[O-])C1CC1)[NH+]1CCSCC1	REAL300003649075	1	44	0.0	-66.50	320.85	7.33	-59.17
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C)(CC(=O)[O-])C1CC1	REAL300003649082	0	49	0.0	-70.15	365.81	9.91	-60.24
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C)(CC(=O)[O-])C1CC1	REAL300003649082	1	49	0.0	-70.08	365.82	9.91	-60.17
COCCOCC[N@H+](C)CCC(=O)NC(C)(CC(=O)[O-])C1CC1	REAL300003649083	0	53	0.0	-69.20	395.24	5.63	-63.57
COCCOCC[N@@H+](C)CCC(=O)NC(C)(CC(=O)[O-])C1CC1	REAL300003649083	1	53	0.0	-70.03	395.27	5.64	-64.39
CC(CC(=O)[O-])(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300003649090	0	58	0.0	-76.11	420.97	9.60	-66.51
C[N@H+](CC(=O)NC(C)(CC(=O)[O-])C1CC1)C1CCSC1	REAL300003649112	0	44	0.0	-68.96	326.43	7.27	-61.69
C[N@@H+](CC(=O)NC(C)(CC(=O)[O-])C1CC1)C1CCSC1	REAL300003649112	1	44	0.0	-70.54	326.41	7.26	-63.28
CC(C)[NH+]1CCN(CCC(=O)NC(C)(CC(=O)[O-])C2CC2)CC1	REAL300003649122	0	54	0.0	-71.43	377.30	5.82	-65.61
CC(C)[NH+]1CCN(CCCC(=O)NC(C)(CC(=O)[O-])C2CC2)CC1	REAL300003649123	0	57	0.0	-68.80	403.94	7.00	-61.80
CC(C)N1CC[NH+](CCCC(=O)NC(C)(CC(=O)[O-])C2CC2)CC1	REAL300003649123	1	57	0.0	-71.88	400.35	7.27	-64.61
C[NH+](C)CCN1C=C(C(=O)NC(C)(CC(=O)[O-])C2CC2)C=N1	REAL300003649125	0	46	0.0	-77.35	351.41	6.53	-70.82
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C)(CC(=O)[O-])C3CC3)CC2)=C1	REAL300003649128	0	58	0.0	-72.99	421.29	9.02	-63.97
CC(CC(=O)[O-])(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CC1	REAL300003649130	0	55	0.0	-74.94	399.47	8.80	-66.14
CC(CC(=O)[O-])(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1CC1	REAL300003649133	0	52	0.0	-72.62	376.01	9.06	-63.56
CC(CC(=O)[O-])(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1CC1	REAL300003649133	1	52	0.0	-71.87	382.42	8.80	-63.07
CC(C(=O)NC(C)(CC(=O)[O-])C1CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003649138	1	50	0.0	-68.09	361.93	10.03	-58.06
CC(C(=O)NC(C)(CC(=O)[O-])C1CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003649138	1	50	0.0	-62.94	362.34	9.55	-53.39
CC(CC(=O)[O-])(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300003649157	0	53	0.0	-76.49	392.17	10.66	-65.83
CC(CC(=O)[O-])(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300003649157	1	53	0.0	-74.31	392.66	10.24	-64.07
C[NH+](C)CCN1C=CC(C(=O)NC(C)(CC(=O)[O-])C2CC2)=N1	REAL300003649168	0	46	0.0	-85.27	351.36	6.98	-78.29
C[NH+](C)CCN1N=CC=C1C(=O)NC(C)(CC(=O)[O-])C1CC1	REAL300003649169	0	46	0.0	-75.42	325.21	7.20	-68.22
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)(CC(=O)[O-])C1CC1	REAL300003649170	1	47	0.0	-63.02	353.04	8.24	-54.78
CC(CC(=O)[O-])(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1CC1	REAL300003649181	0	53	0.0	-73.12	387.70	10.92	-62.20
CC(CC(=O)[O-])(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1CC1	REAL300003649181	1	53	0.0	-71.85	393.96	10.72	-61.13
CC(CC(=O)[O-])(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1CC1	REAL300003649185	0	54	0.0	-73.99	397.23	8.21	-65.78
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C)(CC(=O)[O-])C2CC2)CC1	REAL300003649220	1	53	0.0	-80.50	384.42	8.46	-72.04
CC(CC(=O)[O-])(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1CC1	REAL300003649221	0	53	0.0	-68.48	373.07	8.97	-59.51
CC(CC(=O)[O-])(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1CC1	REAL300003649221	1	53	0.0	-67.69	372.27	9.39	-58.30
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(C)(CC(=O)[O-])C3CC3)=C2)CC1	REAL300003649246	0	55	0.0	-72.37	403.51	8.37	-64.00
C[NH+]1CCN(CC2=CC=C(C(=O)NC(C)(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300003649247	0	55	0.0	-77.56	402.96	7.77	-69.79
CN1CC[NH+](CC2=CC=C(C(=O)NC(C)(CC(=O)[O-])C3CC3)C=C2)CC1	REAL300003649247	1	55	0.0	-80.34	403.30	7.83	-72.51
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2CC2)C=C1	REAL300003649248	0	56	0.0	-76.80	406.37	9.40	-67.40
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1CC1	REAL300003649325	0	57	0.0	-81.76	418.46	7.69	-74.07
C[NH+](C)CC1=CC=CC(C(=O)NC(C)(CC(=O)[O-])C2CC2)=C1	REAL300003649329	0	46	0.0	-74.00	344.83	8.96	-65.04
CC(CC(=O)[O-])(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300003649330	0	53	0.0	-62.96	382.28	10.43	-52.53
CC(CC(=O)[O-])(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CC1	REAL300003649330	1	53	0.0	-63.64	381.71	10.41	-53.23
CC[NH+]1CCN(CCC(=O)NC(C)(CC(=O)[O-])C2CC2)CC1	REAL300003649371	0	51	0.0	-72.70	364.51	5.55	-67.15
CCN1CC[NH+](CCC(=O)NC(C)(CC(=O)[O-])C2CC2)CC1	REAL300003649371	1	51	0.0	-69.01	365.70	5.67	-63.34
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C)(CC(=O)[O-])C1CC1	REAL300003649377	1	47	0.0	-62.70	352.50	8.18	-54.52
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C)(CC(=O)[O-])C3CC3)=CC=C1N2	REAL300003649424	1	51	0.0	-77.66	380.26	8.92	-68.74
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C)(CC(=O)[O-])C3CC3)=CC=C1N2	REAL300003649424	1	51	0.0	-79.09	379.80	9.36	-69.73
CC[NH+](CC)CC1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2CC2)O1	REAL300003649464	0	49	0.0	-76.40	366.40	8.62	-67.78
CC1=CC=C(N2CCC(C(=O)NC(C)(CC(=O)[O-])C3CC3)CC2)[NH+]=C1	REAL300003649465	1	52	0.0	-71.72	380.98	8.55	-63.17
C[N@H+](CC(=O)NC(C)(CC(=O)[O-])C1CC1)CC1=CC=CC=C1	REAL300003649466	1	46	0.0	-71.12	343.33	9.06	-62.06
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(CC(=O)[O-])C1CC1	REAL300003649505	0	53	0.0	-67.84	383.38	9.81	-58.03
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(CC(=O)[O-])C1CC1	REAL300003649505	1	53	0.0	-69.42	389.33	9.98	-59.44
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C)(CC(=O)[O-])C2CC2)C=C1	REAL300003649522	0	54	0.0	-79.69	409.59	9.52	-70.17
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CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(C=CC(=O)[O-])C=C1	REAL300003656549	1	45	0.0	-75.17	366.14	9.93	-65.24
C[NH+](C)CC1=C(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)OC2=CC=CC=C21	REAL300003656550	0	47	0.0	-71.50	385.95	10.61	-60.89
O=C([O-])C=CC1=CC=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)C=C1	REAL300003656556	0	48	0.0	-81.16	356.90	9.87	-71.29
O=C([O-])C=CC1=CC=C(NC(=O)C2CCC[N@H+]2C2CCCC2)C=C1	REAL300003656556	1	48	0.0	-78.12	365.75	10.20	-67.92
CC(C(=O)NC1=CC=C(C=CC(=O)[O-])C=C1)[NH+]1CCCCCC1	REAL300003656585	0	47	0.0	-77.89	351.53	9.54	-68.35
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(C=CC(=O)[O-])C=C3)=CC=C1N2	REAL300003656619	1	49	0.0	-84.44	393.62	10.69	-73.75
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(C=CC(=O)[O-])C=C3)=CC=C1N2	REAL300003656619	1	49	0.0	-84.49	393.65	10.69	-73.80
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)O1	REAL300003656677	0	47	0.0	-82.07	380.09	9.95	-72.12
O=C([O-])C=CC1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C=C1	REAL300003656678	0	47	0.0	-80.86	372.02	10.08	-70.78
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(C=CC(=O)[O-])C=C3)CC2)[NH+]=C1	REAL300003656680	1	50	0.0	-79.16	394.51	9.84	-69.32
C[N@H+](CC(=O)NC1=CC=C(C=CC(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300003656681	1	44	0.0	-86.51	357.36	10.36	-76.15
C[N@@H+](CC(=O)NC1=CC=C(C=CC(=O)[O-])C=C1)CC1=CC=CC=C1	REAL300003656681	1	44	0.0	-86.60	357.36	10.36	-76.24
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=CC=C(C=CC(=O)[O-])C=C3)C=C2)CC1	REAL300003656685	0	56	0.0	-84.50	426.85	10.62	-73.88
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)=NO1	REAL300003656731	1	40	0.0	-86.00	338.78	7.75	-78.25
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C=CC(=O)[O-])C=C1	REAL300003656736	0	51	0.0	-83.95	402.74	11.81	-72.14
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C=CC(=O)[O-])C=C1	REAL300003656736	1	51	0.0	-84.53	402.00	11.65	-72.88
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(C=CC(=O)[O-])C=C1	REAL300003656756	0	44	0.0	-75.17	339.02	8.78	-66.39
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C=CC(=O)[O-])C=C1	REAL300003656756	1	44	0.0	-75.18	342.09	8.94	-66.24
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300003656763	0	52	0.0	-84.72	423.14	11.22	-73.50
C[NH+]1CCC(OCC(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)CC1	REAL300003656780	0	45	0.0	-84.68	360.64	8.78	-75.90
O=C([O-])C=CC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C=C1	REAL300003656786	0	48	0.0	-84.09	386.81	10.45	-73.64
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)[C@@H](C(F)(F)F)C1	REAL300003656830	0	50	0.0	-84.44	394.78	9.97	-74.47
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)[C@@H](C(F)(F)F)C1	REAL300003656830	1	50	0.0	-82.08	393.32	10.03	-72.05
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300003656978	0	47	0.0	-79.91	364.21	9.78	-70.13
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300003656978	1	47	0.0	-74.11	358.07	10.01	-64.10
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(C=CC(=O)[O-])C=C1	REAL300003657013	0	47	0.0	-77.26	364.53	9.91	-67.35
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(C=CC(=O)[O-])C=C1	REAL300003657013	1	47	0.0	-79.96	354.81	9.85	-70.11
O=C([O-])C=CC1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C=C1	REAL300003657014	1	45	0.0	-85.14	354.30	5.95	-79.19
O=C([O-])C=CC1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C=C1	REAL300003657112	0	52	0.0	-87.88	409.55	12.25	-75.63
O=C([O-])C=CC1=CC=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C=C1	REAL300003657112	1	52	0.0	-86.00	410.59	12.28	-73.72
O=C([O-])C=CC1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C=C1	REAL300003657150	1	51	0.0	-84.33	396.13	11.79	-72.54
O=C([O-])C=CC1=CC=C(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C=C1	REAL300003657150	1	51	0.0	-80.15	405.53	11.98	-68.17
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300003657245	0	47	0.0	-72.75	353.11	9.75	-63.00
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300003657245	1	47	0.0	-73.26	353.11	9.74	-63.52
C[N@@H+]1CC(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300003657246	0	41	0.0	-89.97	344.32	8.51	-81.46
C[N@H+]1CC(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300003657246	1	41	0.0	-85.86	334.89	8.59	-77.27
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)N1	REAL300003657271	1	42	0.0	-76.01	350.93	8.05	-67.96
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)=C1	REAL300003657762	0	47	0.0	-82.77	381.32	11.08	-71.69
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C=C1	REAL300003657769	0	48	0.0	-87.54	388.36	10.06	-77.48
O=C([O-])C=CC1=CC=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C=C1	REAL300003657865	0	54	0.0	-82.12	420.42	12.70	-69.42
CC1CN(CC2=CC=C(C(=O)NC3=CC=C(C=CC(=O)[O-])C=C3)C=C2)CCO1	REAL300003657867	0	52	0.0	-88.48	406.19	10.42	-78.06
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C(C=CC(=O)[O-])C=C3)C=C2)CCO1	REAL300003657867	1	52	0.0	-88.43	406.25	10.42	-78.01
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(C=CC(=O)[O-])C=C3)C=C2)CCO1	REAL300003657867	1	52	0.0	-88.43	406.25	10.42	-78.01
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)CC1	REAL300003657914	0	47	0.0	-74.63	352.76	9.44	-65.19
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(C=CC(=O)[O-])C=C3)=CN12	REAL300003657918	0	39	0.0	-76.06	332.27	10.05	-66.01
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300003657981	0	50	0.0	-74.76	372.47	10.65	-64.11
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300003657981	1	50	0.0	-78.53	381.63	10.46	-68.07
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300003657982	0	44	0.0	-73.48	336.95	9.25	-64.23
CC[N@H+]1CCCC(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300003657982	1	44	0.0	-73.65	336.57	9.27	-64.38
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)O1	REAL300003657988	1	41	0.0	-84.88	344.16	8.48	-76.40
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300003657994	0	50	0.0	-81.19	370.71	9.86	-71.33
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300003657994	1	50	0.0	-82.16	370.45	9.90	-72.26
O=C([O-])C=CC1=CC=C(NC(=O)C23CC(C2)CN3C2CC2)C=C1	REAL300003657997	0	43	0.0	-79.95	344.36	9.35	-70.60
O=C([O-])C=CC1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C=C1	REAL300003657997	1	43	0.0	-79.70	331.31	9.41	-70.29
O=C([O-])C=CC1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C=C1	REAL300003657997	1	43	0.0	-79.95	344.36	9.35	-70.60
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCCO[C@H]2C2=CC=C(Cl)C=C2)C1	REAL300003658066	0	51	0.0	-51.92	406.11	9.17	-42.75
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CCCO[C@H]2C2=CC=C(Cl)C=C2)C1	REAL300003658066	1	51	0.0	-50.01	399.86	9.15	-40.86
O=C([O-])CSC(CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(F)(F)F	REAL300003659451	0	47	0.0	-56.70	389.41	9.16	-47.54
O=C([O-])CSC(CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(F)(F)F	REAL300003659451	1	47	0.0	-60.10	395.42	9.69	-50.41
O=C([O-])CSC(CNC(=O)C1CC[NH+](C2CC2)CC1)C(F)(F)F	REAL300003660208	0	44	0.0	-64.30	360.99	7.90	-56.40
O=C([O-])CSC(CNC(=O)C1CCC[N@@H+]1C1CC1)C(F)(F)F	REAL300003660233	0	41	0.0	-60.11	343.99	7.03	-53.08
O=C([O-])CSC(CNC(=O)C1CCC[N@H+]1C1CC1)C(F)(F)F	REAL300003660233	1	41	0.0	-60.00	342.01	6.88	-53.12
CC1=[NH+]C=C2CCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)CN12	REAL300003660239	1	42	0.0	-57.65	359.87	7.79	-49.86
C[N@@H+]1CCCCC1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660314	1	40	0.0	-59.75	333.50	6.62	-53.13
C[N@H+]1CCCCC1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660314	1	40	0.0	-61.06	324.18	6.46	-54.60
CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)N1CC[NH+](C)CC1	REAL300003660315	1	45	0.0	-65.42	364.87	4.88	-60.54
C[N@@H+]1CCCC[C@H]1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660353	1	40	0.0	-59.72	333.48	6.62	-53.10
C[N@H+]1CCCC[C@H]1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660353	1	40	0.0	-61.08	324.17	6.47	-54.61
C[NH+]1CCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1	REAL300003660431	0	40	0.0	-64.59	336.16	6.70	-57.89
O=C([O-])CSC(CNC(=O)C1=CN2C=[NH+]C=C2C=C1)C(F)(F)F	REAL300003660461	0	35	0.0	-64.82	321.71	8.53	-56.29
C[NH+](C)CC1(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)CCCCC1	REAL300003660492	0	49	0.0	-67.27	380.03	8.41	-58.86
C[N@H+](CCC(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1CCCCC1	REAL300003660497	0	49	0.0	-63.79	389.95	8.62	-55.17
C[N@@H+](CCC(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1CCCCC1	REAL300003660497	1	49	0.0	-63.80	389.94	8.64	-55.16
C[N@@H+]1CCCC1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660512	0	37	0.0	-61.83	311.50	5.58	-56.25
C[N@H+]1CCCC1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660512	1	37	0.0	-61.83	311.56	5.58	-56.25
C[NH+]1CCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1	REAL300003660562	0	40	0.0	-64.59	336.16	6.70	-57.89
O=C([O-])CSC(CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(F)(F)F	REAL300003660566	0	43	0.0	-68.43	380.69	7.65	-60.78
O=C([O-])CSC(CNC(=O)C1CCCC[N@@H+]1C1CCCC1)C(F)(F)F	REAL300003660583	0	50	0.0	-55.62	389.49	8.84	-46.78
O=C([O-])CSC(CNC(=O)C1CCCC[N@H+]1C1CCCC1)C(F)(F)F	REAL300003660583	1	50	0.0	-57.26	384.19	8.97	-48.29
O=C([O-])CSC(CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C(F)(F)F	REAL300003660584	0	51	0.0	-66.89	403.25	7.30	-59.59
CC1=[NH+]C=CN1CCCC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660618	1	41	0.0	-61.42	362.52	7.94	-53.48
O=C([O-])CSC(CNC(=O)CCCC[NH+]1CCOCC1)C(F)(F)F	REAL300003660619	1	47	0.0	-68.37	389.81	6.63	-61.74
C[C@@H](C(=O)NCC(SCC(=O)[O-])C(F)(F)F)[NH+](C)C	REAL300003660624	0	36	0.0	-61.08	309.44	5.44	-55.64
C[N@@H+]1CCC[C@@H]1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660625	0	37	0.0	-61.80	311.50	5.57	-56.23
C[N@H+]1CCC[C@@H]1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660625	1	37	0.0	-59.49	316.63	6.10	-53.39
C[C@H](C(=O)NCC(SCC(=O)[O-])C(F)(F)F)[NH+](C)C	REAL300003660628	0	36	0.0	-61.06	309.67	5.45	-55.61
C[NH+](C)C1(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1	REAL300003660636	0	37	0.0	-58.27	313.87	6.40	-51.87
O=C([O-])CSC(CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300003660677	0	47	0.0	-64.28	396.11	9.53	-54.75
O=C([O-])CSC(CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(F)(F)F	REAL300003660677	1	47	0.0	-64.96	396.55	9.54	-55.42
O=C([O-])CSC(CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C(F)(F)F	REAL300003660697	0	51	0.0	-62.77	388.86	6.93	-55.84
CCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)[NH+](CC)CC	REAL300003660701	0	45	0.0	-55.36	356.28	7.47	-47.89
CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)[N@H+](C)CC1=CC=CC=C1	REAL300003660703	0	46	0.0	-61.80	386.49	9.03	-52.77
CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)[N@@H+](C)CC1=CC=CC=C1	REAL300003660703	1	46	0.0	-60.45	386.31	9.01	-51.44
C[NH+](C)CC1=CC=C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C=N1	REAL300003660732	0	42	0.0	-69.84	365.47	7.06	-62.78
CCC[NH+](CCC)CCCC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660737	0	51	0.0	-64.65	409.63	8.96	-55.69
CC[N@H+](C)C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1=CC=CC=C1	REAL300003660738	0	46	0.0	-59.93	383.98	9.18	-50.75
CC[N@@H+](C)C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1=CC=CC=C1	REAL300003660738	1	46	0.0	-59.92	384.79	9.14	-50.78
C[N@@H+]1CCOC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003660740	1	38	0.0	-65.85	328.92	5.49	-60.36
C[N@H+]1CCOC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003660740	1	38	0.0	-56.98	321.80	5.32	-51.66
CC[NH+](CC)C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1=CC=CC=C1	REAL300003660742	0	49	0.0	-59.98	393.22	9.30	-50.68
CC(C)C1=[NH+]C=CN1CC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660751	1	41	0.0	-57.85	357.19	7.76	-50.09
C[NH+](C)C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1=CC=C(Cl)C=C1	REAL300003660756	1	43	0.0	-65.47	382.93	9.04	-56.43
O=C([O-])CSC(CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(F)(F)F	REAL300003660764	0	47	0.0	-70.01	393.63	9.60	-60.41
C[NH+](C)CC1(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1	REAL300003660773	0	40	0.0	-64.40	343.17	6.80	-57.60
C[NH+](C)CCCCC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660779	0	42	0.0	-66.58	356.90	7.17	-59.41
CC(C)C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)[NH+](C)C	REAL300003660787	0	42	0.0	-62.54	341.17	7.11	-55.43
CC1=C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C=NN1C1=CC=[NH+]C=C1	REAL300003660797	1	41	0.0	-73.58	365.72	6.89	-66.69
O=C([O-])CSC(CNC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(F)(F)F	REAL300003660813	1	43	0.0	-72.84	374.95	7.12	-65.72
C[NH+](C)CCC1=CC=C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C=C1	REAL300003660814	0	46	0.0	-71.74	392.18	9.36	-62.38
CNC1=[NH+]C(C)=CC=C1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660824	1	39	0.0	-55.20	340.84	6.10	-49.10
CCC[N@H+](C)CC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660834	0	39	0.0	-61.50	330.77	6.44	-55.06
CCC[N@@H+](C)CC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660834	1	39	0.0	-61.41	330.77	6.44	-54.97
C[N@H+](CC(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1CCC1	REAL300003660856	0	40	0.0	-59.14	337.76	7.02	-52.12
C[N@@H+](CC(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1CCC1	REAL300003660856	1	40	0.0	-59.28	337.67	7.01	-52.27
C[N@H+](CC(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC(C)(C)C	REAL300003660882	0	45	0.0	-61.09	359.38	7.44	-53.65
C[N@@H+](CC(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC(C)(C)C	REAL300003660882	1	45	0.0	-60.60	361.31	7.59	-53.01
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660884	0	46	0.0	-65.33	390.68	9.47	-55.86
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660884	1	46	0.0	-65.48	390.67	9.47	-56.01
COCCOCC[N@H+](C)CCC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660885	0	50	0.0	-64.83	419.68	5.65	-59.18
COCCOCC[N@@H+](C)CCC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660885	1	50	0.0	-65.95	419.72	5.66	-60.29
CC[C@@H](C(=O)NCC(SCC(=O)[O-])C(F)(F)F)[NH+](C)C	REAL300003660889	0	39	0.0	-60.12	321.78	6.05	-54.07
C[N@@H+]1CCCC(O)(CC(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003660891	0	44	0.0	-59.05	352.16	5.19	-53.86
C[N@H+]1CCCC(O)(CC(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003660891	1	44	0.0	-61.57	361.84	5.39	-56.18
CCCCCC[N@H+](C)CC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660912	0	48	0.0	-62.54	395.26	8.78	-53.76
CCCCCC[N@@H+](C)CC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003660912	1	48	0.0	-62.49	395.27	8.78	-53.71
O=C([O-])CSC(CNC(=O)C12CCC[NH+]1CCC2)C(F)(F)F	REAL300003660923	0	41	0.0	-59.69	336.20	7.03	-52.66
O=C([O-])CSC(CNC(=O)C1=CC2=C[NH+]=CN2C=C1)C(F)(F)F	REAL300003660931	1	35	0.0	-67.37	321.98	8.54	-58.83
C[N@H+](CC(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1CCSC1	REAL300003660942	0	41	0.0	-65.80	352.26	7.26	-58.54
C[N@@H+](CC(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1CCSC1	REAL300003660942	1	41	0.0	-65.64	350.87	7.26	-58.38
CC(C)[NH+]1CCN(CCC(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1	REAL300003660958	0	51	0.0	-62.80	406.89	6.21	-56.59
CC(C)N1CC[NH+](CCC(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1	REAL300003660958	1	51	0.0	-63.98	403.20	6.01	-57.97
CC(C)[NH+]1CCN(CCCC(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1	REAL300003660959	0	54	0.0	-63.37	428.38	7.02	-56.35
CC(C)N1CC[NH+](CCCC(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1	REAL300003660959	1	54	0.0	-65.16	424.70	6.80	-58.36
O=C([O-])CSC(CNC(=O)C1CCCC2CCC[N@@H+]21)C(F)(F)F	REAL300003660960	0	44	0.0	-54.68	356.08	7.88	-46.80
O=C([O-])CSC(CNC(=O)C1CCCC2CCC[N@H+]21)C(F)(F)F	REAL300003660960	1	44	0.0	-54.64	355.85	7.88	-46.76
C[NH+](C)CCN1C=C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C=N1	REAL300003660962	0	43	0.0	-73.82	375.86	6.54	-67.28
CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003660977	1	47	0.0	-61.20	386.62	9.59	-51.61
CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)[N@H+]1CCC2=CC=CC=C2C1	REAL300003660977	1	47	0.0	-59.75	389.89	9.40	-50.35
CCCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)[NH+](C)C	REAL300003660994	0	42	0.0	-61.47	343.46	6.81	-54.66
C[NH+](C)CCN1C=CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)=N1	REAL300003661008	0	43	0.0	-70.75	376.23	6.54	-64.21
C[NH+](C)CCN1N=CC=C1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661009	0	43	0.0	-63.38	371.32	6.51	-56.87
C[C@@H]1[C@H](C(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC[N@@H+]1C	REAL300003661012	0	40	0.0	-61.94	329.06	6.24	-55.70
C[C@@H]1[C@H](C(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC[N@H+]1C	REAL300003661012	1	40	0.0	-65.33	334.60	6.32	-59.01
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661014	1	44	0.0	-58.07	377.50	8.24	-49.83
CC[C@@H]1[C@@H](C(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC[N@@H+]1C	REAL300003661017	0	43	0.0	-62.64	348.50	6.73	-55.91
CC[C@@H]1[C@@H](C(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC[N@H+]1C	REAL300003661017	1	43	0.0	-59.71	352.30	7.29	-52.42
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661020	1	39	0.0	-56.72	338.16	6.81	-49.91
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661020	1	39	0.0	-58.89	344.08	7.33	-51.56
CC1C[N@H+](C)CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)O1	REAL300003661026	1	41	0.0	-64.71	343.40	6.20	-58.51
CC1C[N@@H+](C)CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)O1	REAL300003661026	1	41	0.0	-66.07	350.15	6.22	-59.85
O=C([O-])CSC(CNC(=O)C[NH+]1CCCC1)C(F)(F)F	REAL300003661034	1	37	0.0	-60.72	315.49	6.06	-54.66
CC1=[NH+]C=CN1CC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661036	1	35	0.0	-59.66	319.94	6.62	-53.04
CC(C[NH+]1CCOCC1)C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661038	0	44	0.0	-61.25	362.24	5.90	-55.35
CC1CC[NH+](CC(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1	REAL300003661057	0	43	0.0	-61.34	354.50	7.53	-53.81
CC[N@@H+]1CCOC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003661068	1	41	0.0	-56.22	339.60	5.97	-50.25
CC[N@H+]1CCOC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003661068	1	41	0.0	-63.86	346.73	6.13	-57.73
O=C([O-])CSC(CNC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(F)(F)F	REAL300003661104	0	50	0.0	-61.17	396.21	8.90	-52.27
O=C([O-])CSC(CNC(=O)C1CC[N@H+](C2CCCCC2)C1)C(F)(F)F	REAL300003661104	1	50	0.0	-62.66	396.87	8.91	-53.75
C[N@@H+]1CCCC1CCC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661110	0	43	0.0	-65.17	358.92	7.53	-57.64
C[N@H+]1CCCC1CCC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661110	1	43	0.0	-63.25	353.49	7.06	-56.19
O=C([O-])CSC(CNC(=O)C12CCC[NH+](CCC1)C2)C(F)(F)F	REAL300003661122	0	44	0.0	-64.86	348.93	7.24	-57.62
C[N@@H+]1CC(O)CC1(C)C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661124	1	41	0.0	-63.98	339.25	3.38	-60.60
C[N@H+]1CC(O)CC1(C)C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661124	1	41	0.0	-58.82	339.19	3.49	-55.33
O=C([O-])CSC(CNC(=O)C1CCC2CCCC[N@@H+]21)C(F)(F)F	REAL300003661125	0	44	0.0	-56.19	359.41	7.99	-48.20
O=C([O-])CSC(CNC(=O)C1CCC2CCCC[N@H+]21)C(F)(F)F	REAL300003661125	1	44	0.0	-55.61	359.04	7.92	-47.69
CC(C)(C[NH+]1CCOCC1)C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661132	0	47	0.0	-59.06	372.37	6.12	-52.94
CC[NH+](CC)CC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661147	0	39	0.0	-60.02	327.63	6.40	-53.62
CC(C)[NH+]1CCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1	REAL300003661149	0	46	0.0	-64.28	366.79	7.65	-56.63
O=C([O-])CSC(CNC(=O)C12CC[NH+](CC1)C2)C(F)(F)F	REAL300003661229	0	38	0.0	-64.22	323.17	5.55	-58.67
CCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)[NH+](C)C	REAL300003661232	0	39	0.0	-60.15	322.19	6.03	-54.12
O=C([O-])CSC(CNC(=O)C12CC[N@H+](C1)CCC2)C(F)(F)F	REAL300003661240	0	41	0.0	-62.43	333.48	6.26	-56.17
O=C([O-])CSC(CNC(=O)C12CC[N@@H+](C1)CCC2)C(F)(F)F	REAL300003661240	1	41	0.0	-63.41	333.11	6.26	-57.15
CC1CCC(C)[NH+]1CC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661284	0	43	0.0	-57.28	348.58	6.91	-50.37
C[NH+](C)CC1=CC=CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)=C1	REAL300003661285	0	43	0.0	-68.08	369.74	8.52	-59.56
C[NH+](C)C1(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)CCC1	REAL300003661320	0	40	0.0	-60.58	322.38	6.58	-54.00
C#CC[NH+]1CCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1	REAL300003661343	0	42	0.0	-67.45	361.31	7.90	-59.55
CCC[N@@H+]1CCCCC1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661345	0	46	0.0	-57.88	363.41	7.86	-50.02
CCC[N@H+]1CCCCC1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661345	1	46	0.0	-56.01	372.82	8.02	-47.99
C[NH+](C)CC1=CC=CC=C1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661346	0	43	0.0	-55.32	362.62	8.80	-46.52
CC[NH+]1CCN(CCC(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1	REAL300003661348	0	48	0.0	-66.14	388.99	5.54	-60.60
CCN1CC[NH+](CCC(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1	REAL300003661348	1	48	0.0	-64.21	390.14	5.69	-58.52
CC(C)[N@H+](C)CC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661349	0	39	0.0	-59.28	325.97	6.23	-53.05
CC(C)[N@@H+](C)CC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661349	1	39	0.0	-58.85	325.95	6.24	-52.61
CC(C)C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)[NH+]1CCCCC1	REAL300003661350	0	49	0.0	-57.97	377.20	9.00	-48.97
C[NH+](C)C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1=CC=CC=C1	REAL300003661351	1	43	0.0	-61.51	366.24	8.53	-52.98
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661358	1	44	0.0	-57.60	376.97	8.19	-49.41
O=C([O-])CSC(CNC(=O)C1CCC[N@@H+]1C1CCCC1)C(F)(F)F	REAL300003661365	0	47	0.0	-58.00	374.49	8.56	-49.44
O=C([O-])CSC(CNC(=O)C1CCC[N@H+]1C1CCCC1)C(F)(F)F	REAL300003661365	1	47	0.0	-57.07	374.80	8.42	-48.65
CC[N@H+](CC(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1CC1	REAL300003661367	0	40	0.0	-57.77	336.79	6.84	-50.93
CC[N@@H+](CC(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1CC1	REAL300003661367	1	40	0.0	-59.80	332.93	6.94	-52.86
CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)[NH+]1CCCCCC1	REAL300003661391	0	46	0.0	-56.95	362.63	7.82	-49.13
C[N@@H+]1CCC[C@H]1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661394	0	37	0.0	-59.46	317.33	6.06	-53.40
C[N@H+]1CCC[C@H]1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661394	1	37	0.0	-61.85	311.54	5.58	-56.27
CC(C)(C)[NH2+]CC(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661467	0	39	0.0	-60.52	330.49	4.76	-55.76
CC[NH+](CC)CC1=CC=C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)O1	REAL300003661469	0	46	0.0	-65.18	391.41	8.21	-56.97
O=C([O-])CSC(CNC(=O)CCCC[NH+]1CCCC1)C(F)(F)F	REAL300003661470	0	46	0.0	-65.19	382.87	8.35	-56.84
C[N@H+](CC(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1=CC=CC=C1	REAL300003661472	1	43	0.0	-64.92	368.20	8.63	-56.29
C[N@@H+](CC(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1=CC=CC=C1	REAL300003661472	1	43	0.0	-64.77	368.19	8.63	-56.14
CC(C)[C@@H](C(=O)NCC(SCC(=O)[O-])C(F)(F)F)[NH+](C)C	REAL300003661482	0	42	0.0	-61.53	339.35	6.74	-54.79
O=C([O-])CSC(CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(F)(F)F	REAL300003661501	1	38	0.0	-72.70	350.84	6.48	-66.22
C[NH+](C)CC1=CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)=NO1	REAL300003661525	1	39	0.0	-74.36	349.65	6.00	-68.36
CC(C)[N@@H+]1CCCC1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661539	0	43	0.0	-59.50	344.01	7.29	-52.21
CC(C)[N@H+]1CCCC1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661539	1	43	0.0	-57.42	350.50	7.14	-50.28
C[NH+]1CCC(OCC(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1	REAL300003661559	0	44	0.0	-69.62	371.49	7.13	-62.49
O=C([O-])CSC(CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(F)(F)F	REAL300003661563	0	47	0.0	-67.04	397.69	8.71	-58.33
CCC[N@@H+]1CCCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003661730	0	46	0.0	-62.85	375.30	8.07	-54.78
CCC[N@H+]1CCCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003661730	1	46	0.0	-62.87	375.28	8.06	-54.81
CC(C)C[N@@H+]1CCCC1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661758	0	46	0.0	-59.67	370.54	7.68	-51.99
CC(C)C[N@H+]1CCCC1C(=O)NCC(SCC(=O)[O-])C(F)(F)F	REAL300003661758	1	46	0.0	-58.16	375.06	8.21	-49.95
O=C([O-])CSC(CNC(=O)C[NH+]1CCC(CO)CC1)C(F)(F)F	REAL300003661759	1	44	0.0	-62.74	365.33	4.22	-58.52
CC(C)[N@@H+]1CCCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003661962	0	46	0.0	-57.57	364.19	8.04	-49.53
CC(C)[N@H+]1CCCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003661962	1	46	0.0	-60.29	370.45	7.83	-52.46
C[N@@H+]1CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C(C(F)(F)F)C1	REAL300003661963	0	40	0.0	-69.14	345.98	6.76	-62.38
C[N@H+]1CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C(C(F)(F)F)C1	REAL300003661963	1	40	0.0	-71.25	348.92	6.54	-64.71
CC1=C(C)[NH+]=C(CCC(=O)NCC(SCC(=O)[O-])C(F)(F)F)N1	REAL300003661986	1	41	0.0	-58.39	361.77	6.32	-52.07
C[NH+](C)CCC1=CC=CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)=C1	REAL300003662426	0	46	0.0	-70.00	392.19	9.36	-60.64
C[NH+](C)CCOC1=CC=C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C=C1	REAL300003662432	0	47	0.0	-70.04	399.49	8.32	-61.72
C[NH+](C)[C@H]1C[C@H](C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003662564	0	40	0.0	-62.14	341.14	6.75	-55.39
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC(SCC(=O)[O-])C(F)(F)F)CC1	REAL300003662568	0	46	0.0	-64.13	363.83	7.72	-56.41
CC1=[NH+]C=C2C=CC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)=CN12	REAL300003662572	0	38	0.0	-60.60	343.12	8.31	-52.29
CC(C)C[N@@H+]1CCCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003662632	0	49	0.0	-58.58	386.46	8.94	-49.64
CC(C)C[N@H+]1CCCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003662632	1	49	0.0	-61.46	392.71	8.74	-52.72
CC[N@@H+]1CCCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003662633	0	43	0.0	-61.53	353.79	7.31	-54.22
CC[N@H+]1CCCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003662633	1	43	0.0	-61.53	353.78	7.31	-54.22
C[N@@H+]1CCCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003662638	0	40	0.0	-64.26	336.13	6.65	-57.61
C[N@H+]1CCCC(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003662638	1	40	0.0	-57.49	329.86	6.87	-50.62
C[NH+](C)CC1=CC=C(C(=O)NCC(SCC(=O)[O-])C(F)(F)F)O1	REAL300003662640	1	40	0.0	-68.66	356.13	6.84	-61.82
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003662646	0	49	0.0	-67.30	373.88	7.71	-59.59
C[N@H+]1CCCC(C(C)(C)C(=O)NCC(SCC(=O)[O-])C(F)(F)F)C1	REAL300003662646	1	49	0.0	-66.37	381.55	8.17	-58.20
O=C([O-])CSC(CNC(=O)C12CC(C1)CN2C1CC1)C(F)(F)F	REAL300003662649	0	42	0.0	-58.60	349.59	8.36	-50.24
O=C([O-])CSC(CNC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(F)(F)F	REAL300003662649	1	42	0.0	-58.92	356.83	7.47	-51.45
O=C([O-])CSC(CNC(=O)C12CC(C1)C[N@H+]2C1CC1)C(F)(F)F	REAL300003662649	1	42	0.0	-58.60	349.59	8.36	-50.24
O=C([O-])C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=CC(Br)=C1	REAL300003663347	0	47	0.0	-75.19	378.11	9.80	-65.39
C[NH+](C)CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663391	0	36	0.0	-69.73	308.53	6.97	-62.76
CC(C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1)N1CC[NH+](C)CC1	REAL300003663392	1	48	0.0	-67.78	381.86	6.80	-60.98
C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663408	0	43	0.0	-64.47	350.45	8.55	-55.92
C[N@H+]1CCCC[C@H]1C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663408	1	43	0.0	-61.68	340.97	8.37	-53.31
C[NH+]1CCC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300003663423	0	43	0.0	-78.48	353.25	8.59	-69.89
O=C([O-])C[C@@H](NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=CC(Br)=C1	REAL300003663439	0	38	0.0	-63.68	345.54	11.27	-52.41
C[N@@H+]1CCCC1C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663461	0	40	0.0	-59.47	334.92	7.91	-51.56
C[N@H+]1CCCC1C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663461	1	40	0.0	-53.93	335.32	8.23	-45.70
C[NH+]1CCC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300003663486	0	43	0.0	-78.48	353.25	8.59	-69.89
CC1=[NH+]C=CN1CCCC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663504	1	44	0.0	-59.51	386.33	10.65	-48.86
C[C@@H](C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300003663507	0	39	0.0	-57.91	333.55	8.01	-49.90
C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663508	0	40	0.0	-68.08	328.18	7.51	-60.57
C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663508	1	40	0.0	-53.65	341.64	8.80	-44.85
C[C@H](C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300003663511	0	39	0.0	-52.36	333.30	8.12	-44.24
CCC(C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1)[NH+](CC)CC	REAL300003663554	0	48	0.0	-61.14	372.61	9.32	-51.82
C[N@@H+]1CCOC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003663562	1	41	0.0	-68.49	345.84	8.00	-60.49
C[N@H+]1CCOC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003663562	1	41	0.0	-64.60	339.04	7.21	-57.39
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663568	1	44	0.0	-53.80	381.96	10.39	-43.41
C[NH+](C)CC1(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300003663574	0	43	0.0	-73.22	353.04	9.83	-63.39
C[NH+](C)CCCCC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663577	0	45	0.0	-76.80	373.89	9.10	-67.70
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663595	1	42	0.0	-50.58	364.76	8.69	-41.89
CCC[N@H+](C)CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663597	0	42	0.0	-68.82	347.66	8.35	-60.47
CCC[N@@H+](C)CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663597	1	42	0.0	-68.75	347.66	8.34	-60.41
C[N@H+](CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1)C1CCC1	REAL300003663606	0	43	0.0	-66.12	354.65	8.91	-57.21
C[N@@H+](CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1)C1CCC1	REAL300003663606	1	43	0.0	-66.53	354.55	8.91	-57.62
C[N@H+](CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1)CC(C)(C)C	REAL300003663616	0	48	0.0	-53.61	383.01	10.17	-43.44
C[N@@H+](CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1)CC(C)(C)C	REAL300003663616	1	48	0.0	-68.23	378.83	9.52	-58.71
CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300003663617	0	42	0.0	-64.74	338.66	7.99	-56.75
C[N@@H+]1CCCC(O)(CC(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003663619	0	47	0.0	-54.58	375.75	7.80	-46.78
C[N@H+]1CCCC(O)(CC(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003663619	1	47	0.0	-51.95	385.71	8.09	-43.86
CCCCCC[N@H+](C)CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663629	0	51	0.0	-54.07	419.08	11.50	-42.57
CCCCCC[N@@H+](C)CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663629	1	51	0.0	-69.86	412.16	10.69	-59.17
O=C([O-])C[C@@H](NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC=CC(Br)=C1	REAL300003663637	1	38	0.0	-68.85	345.81	11.27	-57.58
O=C([O-])C[C@@H](NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC=CC(Br)=C1	REAL300003663650	0	47	0.0	-49.54	380.05	10.59	-38.95
O=C([O-])C[C@@H](NC(=O)C1CCCC2CCC[N@H+]21)C1=CC=CC(Br)=C1	REAL300003663650	1	47	0.0	-61.69	373.13	9.77	-51.92
C[C@@H]1[C@H](C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)CC[N@@H+]1C	REAL300003663664	0	43	0.0	-76.11	344.95	7.95	-68.16
C[C@@H]1[C@H](C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)CC[N@H+]1C	REAL300003663664	1	43	0.0	-67.19	350.44	8.43	-58.76
CC[C@@H]1[C@@H](C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)CC[N@@H+]1C	REAL300003663666	0	46	0.0	-68.58	365.62	8.68	-59.90
CC[C@@H]1[C@@H](C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)CC[N@H+]1C	REAL300003663666	1	46	0.0	-61.39	376.20	9.96	-51.43
CC1C[N@H+](C)CC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300003663670	1	44	0.0	-66.12	366.85	8.91	-57.21
CC1C[N@@H+](C)CC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300003663670	1	44	0.0	-73.60	366.22	8.52	-65.08
O=C([O-])C[C@@H](NC(=O)C[NH+]1CCCC1)C1=CC=CC(Br)=C1	REAL300003663673	0	40	0.0	-68.12	332.39	7.95	-60.17
CC1=[NH+]C=CN1CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663675	1	38	0.0	-65.77	337.86	8.55	-57.22
CC(C[NH+]1CCOCC1)C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663676	0	47	0.0	-73.09	379.53	7.64	-65.45
CC1CC[NH+](CC(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300003663693	0	46	0.0	-69.11	371.26	9.45	-59.66
CC[N@@H+]1CCOC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003663697	1	44	0.0	-63.22	370.09	8.85	-54.37
CC[N@H+]1CCOC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003663697	1	44	0.0	-64.02	356.85	7.86	-56.16
C[N@@H+]1CCCC1CCC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663709	0	46	0.0	-76.40	375.82	9.42	-66.98
C[N@H+]1CCCC1CCC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663709	1	46	0.0	-71.97	370.31	8.99	-62.98
O=C([O-])C[C@@H](NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC=CC(Br)=C1	REAL300003663714	0	47	0.0	-55.97	377.15	10.15	-45.82
O=C([O-])C[C@@H](NC(=O)C1CCC2CCCC[N@H+]21)C1=CC=CC(Br)=C1	REAL300003663714	1	47	0.0	-50.46	382.84	10.63	-39.83
CC[NH+](CC)CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663721	0	42	0.0	-53.08	347.06	8.74	-44.34
CC(C)[NH+]1CCC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300003663722	0	49	0.0	-60.17	394.54	10.59	-49.58
O=C([O-])C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1=CC=CC(Br)=C1	REAL300003663753	0	41	0.0	-63.13	346.90	8.29	-54.84
CCC(C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300003663756	0	42	0.0	-52.75	344.90	8.77	-43.98
O=C([O-])C[C@@H](NC(=O)C12CC[N@H+](C1)CCC2)C1=CC=CC(Br)=C1	REAL300003663759	0	44	0.0	-72.82	350.42	8.18	-64.64
O=C([O-])C[C@@H](NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC=CC(Br)=C1	REAL300003663759	1	44	0.0	-73.86	350.34	8.14	-65.72
CC1CCC(C)[NH+]1CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663777	0	46	0.0	-50.49	373.42	9.72	-40.77
C#CC[NH+]1CCC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300003663802	0	45	0.0	-65.05	385.40	10.61	-54.44
CC(C)[N@H+](C)CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663803	0	42	0.0	-66.09	342.85	8.13	-57.96
CC(C)[N@@H+](C)CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663803	1	42	0.0	-66.19	342.85	8.13	-58.06
CC[N@H+](CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1)C1CC1	REAL300003663811	0	43	0.0	-49.69	363.95	9.78	-39.91
CC[N@@H+](CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1)C1CC1	REAL300003663811	1	43	0.0	-65.95	354.37	8.87	-57.08
CC(C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1)[NH+]1CCCCCC1	REAL300003663821	0	49	0.0	-48.45	384.67	10.08	-38.37
C[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663823	0	40	0.0	-49.90	341.06	8.70	-41.20
C[N@H+]1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663823	1	40	0.0	-61.80	328.50	7.52	-54.28
CC(C)(C)[NH2+]CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663854	0	42	0.0	-67.10	347.48	6.69	-60.41
O=C([O-])C[C@@H](NC(=O)CCCC[NH+]1CCCC1)C1=CC=CC(Br)=C1	REAL300003663855	0	49	0.0	-64.96	406.68	11.06	-53.90
C[NH+](C)CC1=CC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)=NO1	REAL300003663876	1	42	0.0	-72.87	373.44	8.72	-64.15
CC(C)[N@@H+]1CCCC1C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663883	0	46	0.0	-54.01	374.05	9.84	-44.17
CC(C)[N@H+]1CCCC1C(=O)N[C@H](CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300003663883	1	46	0.0	-52.93	374.21	9.86	-43.07
C[NH+]1CCC(OCC(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300003663892	0	47	0.0	-70.45	395.31	9.84	-60.61
CCC[N@@H+]1CCCC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003663950	0	49	0.0	-47.96	392.25	10.93	-37.03
CCC[N@H+]1CCCC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003663950	1	49	0.0	-71.19	392.46	9.95	-61.24
O=C([O-])C[C@@H](NC(=O)C[NH+]1CCC(CO)CC1)C1=CC=CC(Br)=C1	REAL300003663961	1	47	0.0	-69.59	382.09	6.14	-63.45
CC(C)[N@@H+]1CCCC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003664025	0	49	0.0	-49.07	387.39	10.70	-38.37
CC(C)[N@H+]1CCCC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003664025	1	49	0.0	-57.30	380.87	9.92	-47.38
CC1=C(C)[NH+]=C(CCC(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)N1	REAL300003664036	1	44	0.0	-53.48	385.47	9.02	-44.46
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003664241	0	43	0.0	-67.53	364.76	9.47	-58.06
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300003664245	0	49	0.0	-65.68	387.43	10.43	-55.25
CC[N@@H+]1CCCC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003664267	0	46	0.0	-54.92	377.35	10.02	-44.90
CC[N@H+]1CCCC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003664267	1	46	0.0	-62.52	364.26	9.43	-53.09
C[N@@H+]1CCCC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003664271	0	43	0.0	-61.84	360.06	9.36	-52.48
C[N@H+]1CCCC(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003664271	1	43	0.0	-72.75	353.28	8.55	-64.20
C[NH+](C)CC1=CC=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300003664273	1	43	0.0	-75.40	371.93	8.65	-66.75
O=C([O-])C[C@@H](NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=CC(Br)=C1	REAL300003664276	0	45	0.0	-54.29	364.47	10.69	-43.60
O=C([O-])C[C@@H](NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=CC(Br)=C1	REAL300003664276	1	45	0.0	-51.16	367.37	10.37	-40.79
COC1=CC=C(C2CC2)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003664343	0	48	0.0	-47.98	358.88	8.39	-39.59
COC1=CC=C(C2CC2)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003664343	1	48	0.0	-51.05	359.66	8.84	-42.21
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300003665384	0	56	0.0	-67.81	436.43	12.88	-54.93
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300003666667	0	50	0.0	-74.50	382.63	10.05	-64.45
CC1=[NH+]C=C2CCC(C(=O)NC(CC(=O)[O-])C3=CC(C)=CC=C3)CN21	REAL300003666693	1	48	0.0	-66.53	376.39	9.72	-56.81
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C(C)N2CC[NH+](C)CC2)=C1	REAL300003666760	1	51	0.0	-65.79	388.75	7.56	-58.23
CC1=CC=CC(C(CC(=O)[O-])NC(=O)[C@@H]2CCCC[N@H+]2C)=C1	REAL300003666794	0	46	0.0	-64.20	350.46	8.58	-55.62
CC1=CC=CC(C(CC(=O)[O-])NC(=O)[C@@H]2CCCC[N@@H+]2C)=C1	REAL300003666794	1	46	0.0	-57.42	347.20	9.08	-48.34
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)=C1	REAL300003666834	0	59	0.0	-80.49	462.54	11.72	-68.77
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[NH+](C)CC2)=C1	REAL300003666867	0	46	0.0	-69.50	360.42	9.32	-60.18
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CN3C=[NH+]C=C3C=C2)=C1	REAL300003666892	0	41	0.0	-64.34	345.65	11.32	-53.02
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2(C[NH+](C)C)CCCCC2)=C1	REAL300003666921	0	55	0.0	-71.22	384.43	12.58	-58.64
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CC[N@@H+](C)C2CCCCC2)=C1	REAL300003666925	0	55	0.0	-58.99	414.04	11.29	-47.70
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CC[N@H+](C)C2CCCCC2)=C1	REAL300003666925	1	55	0.0	-59.95	414.05	11.28	-48.67
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[NH+](C)CC2)=C1	REAL300003666982	0	46	0.0	-69.50	360.42	9.32	-60.18
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C1	REAL300003666985	0	49	0.0	-80.41	396.19	9.58	-70.83
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCC([NH+]3CCOCC3)CC2)=C1	REAL300003667000	0	57	0.0	-50.81	419.89	9.88	-40.93
CC1=[NH+]C=CN1CCCC(=O)NC(CC(=O)[O-])C1=CC(C)=CC=C1	REAL300003667029	1	47	0.0	-70.58	379.45	9.88	-60.70
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CCCC[NH+]2CCOCC2)=C1	REAL300003667030	1	53	0.0	-78.06	406.91	8.60	-69.46
CC[N@H+](CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(C)=C2)C=C1)C(C)C	REAL300003667032	0	58	0.0	-81.52	435.18	12.13	-69.39
CC[N@@H+](CC1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(C)=C2)C=C1)C(C)C	REAL300003667032	1	58	0.0	-74.76	433.84	12.60	-62.16
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300003667069	0	53	0.0	-72.36	413.28	11.49	-60.87
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300003667069	1	53	0.0	-61.00	420.53	12.20	-48.80
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CC[NH+](C3CCSC3)CC2)=C1	REAL300003667070	0	54	0.0	-67.17	415.16	11.28	-55.89
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CC2([NH+]3CCOCC3)CCCC2)=C1	REAL300003667098	0	57	0.0	-60.32	412.37	9.54	-50.78
CCC(C(=O)NC(CC(=O)[O-])C1=CC=CC(C)=C1)[NH+](CC)CC	REAL300003667102	0	51	0.0	-60.14	373.61	9.46	-50.68
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=C1	REAL300003667104	0	52	0.0	-51.93	409.60	11.89	-40.04
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300003667104	1	52	0.0	-56.95	410.52	11.66	-45.29
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=C1	REAL300003667113	0	59	0.0	-75.75	452.43	13.03	-62.72
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=C1	REAL300003667113	1	59	0.0	-62.59	458.90	13.85	-48.74
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C[NH+](C)C)N=C2)=C1	REAL300003667126	0	48	0.0	-80.34	382.51	8.61	-71.73
CCC[NH+](CCC)CCCC(=O)NC(CC(=O)[O-])C1=CC=CC(C)=C1	REAL300003667132	0	57	0.0	-73.18	430.77	11.17	-62.01
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2C[N@H+](C)CCO2)=C1	REAL300003667134	1	44	0.0	-71.54	352.73	8.15	-63.39
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2C[N@@H+](C)CCO2)=C1	REAL300003667134	1	44	0.0	-83.21	345.62	7.45	-75.76
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CN2C=C[NH+]=C2C(C)C)=C1	REAL300003667142	1	47	0.0	-52.19	381.31	10.43	-41.76
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=C1	REAL300003667157	0	53	0.0	-75.97	418.62	12.33	-63.64
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=C1	REAL300003667163	0	56	0.0	-76.16	428.28	12.31	-63.85
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2(C[NH+](C)C)CC2)=C1	REAL300003667169	0	46	0.0	-51.00	356.67	9.96	-41.04
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CCCC[NH+](C)C)=C1	REAL300003667178	0	48	0.0	-76.70	374.01	9.16	-67.54
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300003667188	1	57	0.0	-84.09	436.13	11.46	-72.63
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300003667188	1	57	0.0	-72.15	449.96	12.21	-59.94
CC1=C(C(=O)NC(CC(=O)[O-])C2=CC(C)=CC=C2)C=NN1C1=CC=[NH+]C=C1	REAL300003667200	1	47	0.0	-81.46	383.72	8.89	-72.57
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=C1	REAL300003667203	0	56	0.0	-76.00	435.36	13.04	-62.96
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=C1	REAL300003667215	1	49	0.0	-72.57	398.89	9.90	-62.67
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)=C1	REAL300003667216	0	52	0.0	-87.41	409.25	11.32	-76.09
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC(=O)[O-])C1=CC=CC(C)=C1	REAL300003667222	1	45	0.0	-53.23	364.83	8.73	-44.50
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300003667223	1	54	0.0	-76.44	415.15	10.83	-65.61
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300003667223	1	54	0.0	-46.97	422.84	11.62	-35.35
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@@H+](C)C2CCC2)=C1	REAL300003667243	0	46	0.0	-51.85	361.56	9.78	-42.07
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@H+](C)C2CCC2)=C1	REAL300003667243	1	46	0.0	-53.01	361.46	9.78	-43.23
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C(C)[NH+]2CCSCC2)=C1	REAL300003667266	1	47	0.0	-66.62	362.75	8.90	-57.72
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@@H+](C)CC(C)(C)C)=C1	REAL300003667272	0	51	0.0	-51.21	383.64	10.37	-40.84
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@H+](C)CC(C)(C)C)=C1	REAL300003667272	1	51	0.0	-66.85	378.91	9.58	-57.27
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@H+](C)CCC2=CC=CC=C2)=C1	REAL300003667274	0	52	0.0	-57.42	414.48	12.24	-45.18
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)=C1	REAL300003667274	1	52	0.0	-57.28	414.48	12.24	-45.04
COCCOCC[N@H+](C)CCC(=O)NC(CC(=O)[O-])C1=CC=CC(C)=C1	REAL300003667275	0	56	0.0	-58.93	443.57	8.42	-50.51
COCCOCC[N@@H+](C)CCC(=O)NC(CC(=O)[O-])C1=CC=CC(C)=C1	REAL300003667275	1	56	0.0	-62.53	443.81	8.30	-54.23
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CC2(O)CCC[N@@H+](C)C2)=C1	REAL300003667279	0	50	0.0	-62.93	383.00	8.09	-54.84
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CC2(O)CCC[N@H+](C)C2)=C1	REAL300003667279	1	50	0.0	-59.19	385.79	8.16	-51.03
CCCCCC[N@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(C)=C1	REAL300003667291	0	54	0.0	-55.55	419.28	11.43	-44.12
CCCCCC[N@@H+](C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(C)=C1	REAL300003667291	1	54	0.0	-55.43	419.07	11.54	-43.89
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC3=C[NH+]=CN3C=C2)=C1	REAL300003667305	1	41	0.0	-80.71	339.10	10.53	-70.18
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@@H+](C)C2CCSC2)=C1	REAL300003667319	0	47	0.0	-71.71	368.03	9.20	-62.51
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C[N@H+](C)C2CCSC2)=C1	REAL300003667319	1	47	0.0	-57.26	374.84	9.91	-47.35
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CCN2CC[NH+](C(C)C)CC2)=C1	REAL300003667334	0	57	0.0	-65.19	430.69	8.96	-56.23
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CC[NH+]2CCN(C(C)C)CC2)=C1	REAL300003667334	1	57	0.0	-58.59	427.64	8.80	-49.79
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CCCN2CC[NH+](C(C)C)CC2)=C1	REAL300003667335	0	60	0.0	-73.03	445.39	8.95	-64.08
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CCC[NH+]2CCN(C(C)C)CC2)=C1	REAL300003667335	1	60	0.0	-62.67	448.63	9.56	-53.11
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCCC3CCC[N@@H+]32)=C1	REAL300003667336	0	50	0.0	-49.68	370.76	10.34	-39.34
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCCC3CCC[N@H+]32)=C1	REAL300003667336	1	50	0.0	-47.43	379.93	10.53	-36.90
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CN(CC[NH+](C)C)N=C2)=C1	REAL300003667338	0	49	0.0	-82.25	392.98	8.52	-73.73
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=C1	REAL300003667342	0	58	0.0	-62.11	448.26	11.13	-50.98
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=C1	REAL300003667344	0	55	0.0	-57.48	425.05	11.32	-46.16
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=C1	REAL300003667344	1	55	0.0	-59.06	425.47	11.24	-47.82
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)=C1	REAL300003667349	1	53	0.0	-54.66	413.62	12.14	-42.52
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)=C1	REAL300003667349	1	53	0.0	-68.01	403.55	11.54	-56.47
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300003667368	0	56	0.0	-65.20	438.55	12.94	-52.26
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300003667368	1	56	0.0	-78.21	434.01	12.21	-66.00
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=NN(CC[NH+](C)C)C=C2)=C1	REAL300003667381	0	49	0.0	-79.73	400.06	9.31	-70.42
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2=CC=NN2CC[NH+](C)C)=C1	REAL300003667382	0	49	0.0	-61.23	388.55	8.44	-52.79
CC1=CC=CC(C(CC(=O)[O-])NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)=C1	REAL300003667384	0	46	0.0	-65.70	349.59	8.71	-56.99
CC1=CC=CC(C(CC(=O)[O-])NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)=C1	REAL300003667384	1	46	0.0	-72.43	350.59	8.51	-63.92
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(=O)[O-])C1=CC=CC(C)=C1	REAL300003667385	1	50	0.0	-56.08	401.58	10.90	-45.18
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=CC(C)=C2)CC[N@@H+]1C	REAL300003667388	0	49	0.0	-73.90	365.76	8.69	-65.21
CC[C@@H]1[C@@H](C(=O)NC(CC(=O)[O-])C2=CC=CC(C)=C2)CC[N@H+]1C	REAL300003667388	1	49	0.0	-70.13	369.33	9.18	-60.95
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2C[N@@H+](C)CC(C)O2)=C1	REAL300003667398	1	47	0.0	-82.33	360.05	8.13	-74.20
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2C[N@H+](C)CC(C)O2)=C1	REAL300003667398	1	47	0.0	-46.75	366.69	8.68	-38.07
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)=C1	REAL300003667402	0	56	0.0	-62.96	443.33	13.04	-49.92
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)=C1	REAL300003667402	1	56	0.0	-58.11	437.02	13.16	-44.95
CC1=[NH+]C=CN1CC(=O)NC(CC(=O)[O-])C1=CC(C)=CC=C1	REAL300003667406	1	41	0.0	-54.22	345.08	9.31	-44.91
CC1=CC=CC(C(CC(=O)[O-])NC(=O)C(C)C[NH+]2CCOCC2)=C1	REAL300003667408	0	50	0.0	-72.36	379.76	7.73	-64.63
CC1=CC=CC(C(CC(=O)[O-])NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)=C1	REAL300003667409	0	57	0.0	-76.15	439.20	9.77	-66.38
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CC[N@@H+]1CCOC(C(=O)NC(CC(=O)[O-])C2=CC=CC(C)=C2)C1	REAL300003667434	1	47	0.0	-69.19	370.49	8.80	-60.39
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CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCCC[N@H+]3C)CC2)=N1	REAL300003685591	0	49	0.0	-70.64	376.77	8.62	-62.02
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCCC[N@@H+]3C)CC2)=N1	REAL300003685591	1	49	0.0	-75.04	369.05	8.26	-66.78
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C)N3CC[NH+](C)CC3)CC2)=N1	REAL300003685592	1	54	0.0	-73.77	406.18	6.71	-67.06
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)=N1	REAL300003685621	0	49	0.0	-68.01	376.06	8.56	-59.45
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)=N1	REAL300003685621	1	49	0.0	-74.31	368.81	8.25	-66.06
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)=N1	REAL300003685667	0	49	0.0	-78.77	380.34	8.61	-70.16
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CC2)=N1	REAL300003685695	0	44	0.0	-74.34	365.67	10.20	-64.14
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)=N1	REAL300003685717	0	58	0.0	-70.15	411.41	9.72	-60.43
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)CC2)=N1	REAL300003685721	0	58	0.0	-75.98	434.75	10.67	-65.31
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CC[N@H+](C)C3CCCCC3)CC2)=N1	REAL300003685721	1	58	0.0	-75.99	434.83	10.69	-65.30
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@H+]3C)CC2)=N1	REAL300003685732	0	46	0.0	-71.29	355.13	7.56	-63.73
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@@H+]3C)CC2)=N1	REAL300003685732	1	46	0.0	-70.97	358.16	7.87	-63.10
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)=N1	REAL300003685774	0	49	0.0	-78.77	380.34	8.61	-70.16
CC1=[NH+]C=CN1CCCC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300003685810	1	50	0.0	-71.19	407.39	9.98	-61.21
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)=N1	REAL300003685811	1	56	0.0	-78.18	434.68	8.67	-69.51
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@H](C)[NH+](C)C)CC2)=N1	REAL300003685817	0	45	0.0	-72.18	352.40	7.38	-64.80
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)=N1	REAL300003685818	0	46	0.0	-74.27	355.29	7.55	-66.72
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)=N1	REAL300003685818	1	46	0.0	-71.01	358.16	7.87	-63.14
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@@H](C)[NH+](C)C)CC2)=N1	REAL300003685822	0	45	0.0	-70.52	352.39	7.36	-63.16
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3([NH+](C)C)CC3)CC2)=N1	REAL300003685830	0	46	0.0	-72.04	355.24	7.50	-64.54
CCC(C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1)[NH+](CC)CC	REAL300003685885	0	54	0.0	-66.20	397.42	9.18	-57.02
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=C(C[NH+](C)C)N=C3)CC2)=N1	REAL300003685904	0	51	0.0	-79.25	410.67	8.40	-70.85
CCC[NH+](CCC)CCCC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300003685907	0	60	0.0	-74.86	458.97	11.29	-63.57
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3C[N@H+](C)CCO3)CC2)=N1	REAL300003685908	1	47	0.0	-80.20	362.33	7.12	-73.08
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3C[N@@H+](C)CCO3)CC2)=N1	REAL300003685908	1	47	0.0	-85.92	369.23	7.28	-78.64
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CN3C=C[NH+]=C3C(C)C)CC2)=N1	REAL300003685917	1	50	0.0	-69.04	402.16	9.77	-59.27
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)=N1	REAL300003685926	0	49	0.0	-70.42	380.21	8.42	-62.00
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCCC[NH+](C)C)CC2)=N1	REAL300003685931	0	51	0.0	-76.14	401.78	9.23	-66.91
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C(C)C)[NH+](C)C)CC2)=N1	REAL300003685940	0	51	0.0	-73.55	378.45	8.59	-64.96
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300003685957	1	48	0.0	-67.03	389.40	7.69	-59.34
CCC[N@H+](C)CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300003685964	0	48	0.0	-74.07	375.58	8.44	-65.63
CCC[N@@H+](C)CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300003685964	1	48	0.0	-73.94	375.58	8.44	-65.50
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)=N1	REAL300003685983	0	49	0.0	-71.93	382.50	9.02	-62.91
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)=N1	REAL300003685983	1	49	0.0	-71.69	382.58	9.01	-62.68
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C)[NH+]3CCSCC3)CC2)=N1	REAL300003685995	1	50	0.0	-73.00	393.34	8.96	-64.04
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)=N1	REAL300003685996	0	54	0.0	-73.90	404.18	9.43	-64.47
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)=N1	REAL300003685996	1	54	0.0	-73.34	406.13	9.58	-63.76
CC[C@@H](C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1)[NH+](C)C	REAL300003686000	0	48	0.0	-70.97	367.13	8.09	-62.88
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CC3(O)CCC[N@@H+](C)C3)CC2)=N1	REAL300003686002	0	53	0.0	-71.23	396.93	7.21	-64.02
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CC3(O)CCC[N@H+](C)C3)CC2)=N1	REAL300003686002	1	53	0.0	-73.85	394.09	7.31	-66.54
CCCCCC[N@H+](C)CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300003686022	0	57	0.0	-75.20	440.07	10.79	-64.41
CCCCCC[N@@H+](C)CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300003686022	1	57	0.0	-75.06	440.07	10.79	-64.27
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)=N1	REAL300003686029	0	50	0.0	-75.30	367.44	8.48	-66.82
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC4=C[NH+]=CN4C=C3)CC2)=N1	REAL300003686037	1	44	0.0	-77.21	371.01	10.42	-66.79
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@@H+](C)C3CCSC3)CC2)=N1	REAL300003686044	0	50	0.0	-80.26	395.84	9.26	-71.00
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@H+](C)C3CCSC3)CC2)=N1	REAL300003686044	1	50	0.0	-78.68	397.09	9.25	-69.43
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCCC4CCC[N@@H+]43)CC2)=N1	REAL300003686059	0	53	0.0	-69.59	388.83	9.10	-60.49
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCCC4CCC[N@H+]43)CC2)=N1	REAL300003686059	1	53	0.0	-65.40	400.74	9.72	-55.68
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CN(CC[NH+](C)C)N=C3)CC2)=N1	REAL300003686060	0	52	0.0	-87.62	417.85	8.20	-79.42
CCCC(C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1)[NH+](C)C	REAL300003686082	0	51	0.0	-71.26	387.69	8.84	-62.42
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=NN(CC[NH+](C)C)C=C3)CC2)=N1	REAL300003686091	0	52	0.0	-81.18	417.96	8.83	-72.35
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=NN3CC[NH+](C)C)CC2)=N1	REAL300003686092	0	52	0.0	-69.98	414.10	8.23	-61.75
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)=N1	REAL300003686094	0	49	0.0	-76.32	372.47	8.28	-68.04
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)=N1	REAL300003686094	1	49	0.0	-77.05	378.28	8.26	-68.79
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300003686096	1	53	0.0	-68.46	422.37	10.31	-58.15
CC[C@@H]1[C@@H](C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)CC[N@@H+]1C	REAL300003686098	0	52	0.0	-75.07	393.56	8.66	-66.41
CC[C@@H]1[C@@H](C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)CC[N@H+]1C	REAL300003686098	1	52	0.0	-75.40	398.60	9.15	-66.25
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300003686100	1	48	0.0	-71.21	381.50	8.79	-62.42
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300003686100	1	48	0.0	-72.61	387.86	9.18	-63.43
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3C[N@@H+](C)CC(C)O3)CC2)=N1	REAL300003686104	1	50	0.0	-85.74	391.08	8.03	-77.71
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3C[N@H+](C)CC(C)O3)CC2)=N1	REAL300003686104	1	50	0.0	-86.25	383.91	7.63	-78.62
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[NH+]3CCCC3)CC2)=N1	REAL300003686110	0	46	0.0	-72.98	360.51	8.13	-64.85
CC1=[NH+]C=CN1CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300003686112	1	44	0.0	-70.92	364.74	8.60	-62.32
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C)C[NH+]3CCOCC3)CC2)=N1	REAL300003686114	0	53	0.0	-76.68	407.57	7.64	-69.04
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)=N1	REAL300003686133	0	52	0.0	-74.16	399.19	9.52	-64.64
CC[N@@H+]1CCOC(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300003686142	1	50	0.0	-78.32	386.99	7.93	-70.39
CC[N@H+]1CCOC(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300003686142	1	50	0.0	-83.92	387.02	7.93	-75.99
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCC3CCC[N@H+]3C)CC2)=N1	REAL300003686168	0	52	0.0	-75.51	403.74	9.57	-65.94
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCC3CCC[N@@H+]3C)CC2)=N1	REAL300003686168	1	52	0.0	-77.64	400.10	9.41	-68.23
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)=N1	REAL300003686176	0	53	0.0	-84.32	383.95	8.72	-75.60
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3(C)CC(O)C[N@H+]3C)CC2)=N1	REAL300003686178	0	50	0.0	-70.58	374.30	3.95	-66.63
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3(C)CC(O)C[N@@H+]3C)CC2)=N1	REAL300003686178	1	50	0.0	-69.39	373.03	4.12	-65.27
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC4CCCC[N@@H+]43)CC2)=N1	REAL300003686179	0	53	0.0	-70.23	396.07	9.52	-60.71
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC4CCCC[N@H+]43)CC2)=N1	REAL300003686179	1	53	0.0	-70.04	396.00	9.50	-60.54
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)CC2)=N1	REAL300003686183	0	56	0.0	-73.98	407.24	7.60	-66.38
CC[NH+](CC)CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300003686194	0	48	0.0	-71.67	372.15	8.37	-63.30
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)=N1	REAL300003686196	0	55	0.0	-75.84	411.01	9.55	-66.29
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)=N1	REAL300003686263	0	47	0.0	-76.77	360.65	7.32	-69.45
CCC(C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1)[NH+](C)C	REAL300003686266	0	48	0.0	-72.21	364.43	7.95	-64.26
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C34CC[N@H+](C3)CCC4)CC2)=N1	REAL300003686273	0	50	0.0	-74.73	369.96	7.90	-66.83
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C34CC[N@@H+](C3)CCC4)CC2)=N1	REAL300003686273	1	50	0.0	-74.75	370.32	7.92	-66.83
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[NH+]3C(C)CCC3C)CC2)=N1	REAL300003686305	0	52	0.0	-70.21	393.54	9.05	-61.16
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=CC(C[NH+](C)C)=C3)CC2)=N1	REAL300003686306	0	52	0.0	-75.90	413.22	10.18	-65.72
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)=N1	REAL300003686333	0	49	0.0	-71.15	360.74	7.92	-63.23
C#CC[NH+]1CCC(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)CC1	REAL300003686350	0	51	0.0	-80.19	404.60	9.75	-70.44
CCC[N@@H+]1CCCCC1C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300003686351	0	55	0.0	-70.16	405.05	9.55	-60.61
CCC[N@H+]1CCCCC1C(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300003686351	1	55	0.0	-67.45	415.11	9.94	-57.51
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=CC=C3C[NH+](C)C)CC2)=N1	REAL300003686352	0	52	0.0	-73.49	411.58	10.25	-63.24
CC[NH+]1CCN(CCC(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)CC1	REAL300003686353	0	57	0.0	-75.44	434.51	7.70	-67.74
CCN1CC[NH+](CCC(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)CC1	REAL300003686353	1	57	0.0	-76.55	435.02	7.74	-68.81
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)=N1	REAL300003686354	0	48	0.0	-71.63	370.82	8.23	-63.40
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)=N1	REAL300003686354	1	48	0.0	-71.15	370.82	8.24	-62.91
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C(C)C)[NH+]3CCCCC3)CC2)=N1	REAL300003686355	0	58	0.0	-71.30	418.29	10.42	-60.88
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C3=CC=CC=C3)[NH+](C)C)CC2)=N1	REAL300003686356	1	52	0.0	-68.46	404.54	10.25	-58.21
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCN3C=C[NH+]=C3C(C)C)CC2)=N1	REAL300003686360	1	53	0.0	-67.93	421.80	10.23	-57.70
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)CC2)=N1	REAL300003686365	0	56	0.0	-69.94	407.11	10.29	-59.65
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@H+]3C3CCCC3)CC2)=N1	REAL300003686365	1	56	0.0	-68.69	420.10	10.29	-58.40
CC[N@H+](CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1)C1CC1	REAL300003686367	0	49	0.0	-72.46	377.44	8.60	-63.86
CC[N@@H+](CC(=O)N1CCC(C2=NC(C)=C(C(=O)[O-])S2)CC1)C1CC1	REAL300003686367	1	49	0.0	-71.08	379.69	8.78	-62.30
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C)[NH+]3CCCCCC3)CC2)=N1	REAL300003686382	0	55	0.0	-69.29	404.11	9.48	-59.81
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)=N1	REAL300003686385	0	46	0.0	-70.82	361.07	7.89	-62.93
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)=N1	REAL300003686385	1	46	0.0	-73.45	354.84	7.57	-65.88
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[NH2+]C(C)(C)C)CC2)=N1	REAL300003686431	0	48	0.0	-72.96	375.36	6.76	-66.20
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)=N1	REAL300003686432	0	55	0.0	-74.84	427.00	10.35	-64.49
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@@H+](C)CC3=CC=CC=C3)CC2)=N1	REAL300003686434	1	52	0.0	-78.38	413.00	10.62	-67.76
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[N@H+](C)CC3=CC=CC=C3)CC2)=N1	REAL300003686434	1	52	0.0	-78.09	413.00	10.62	-67.47
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)=N1	REAL300003686441	0	51	0.0	-73.71	375.47	8.67	-65.04
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC2)=N1	REAL300003686454	1	47	0.0	-79.79	393.04	8.15	-71.64
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=NOC(C[NH+](C)C)=C3)CC2)=N1	REAL300003686466	1	48	0.0	-80.90	391.63	8.33	-72.57
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@H+]3C(C)C)CC2)=N1	REAL300003686475	0	52	0.0	-69.39	383.22	9.23	-60.16
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@@H+]3C(C)C)CC2)=N1	REAL300003686475	1	52	0.0	-68.72	391.78	8.95	-59.77
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)COC3CC[NH+](C)CC3)CC2)=N1	REAL300003686490	0	53	0.0	-79.43	416.33	9.21	-70.22
CCC[N@@H+]1CCCC(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300003686602	0	55	0.0	-72.43	418.66	9.91	-62.52
CCC[N@H+]1CCCC(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300003686602	1	55	0.0	-73.04	411.73	10.12	-62.92
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@H+]3CC(C)C)CC2)=N1	REAL300003686620	0	55	0.0	-70.55	414.24	9.65	-60.90
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@@H+]3CC(C)C)CC2)=N1	REAL300003686620	1	55	0.0	-70.02	417.59	10.03	-59.99
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)=N1	REAL300003686621	0	53	0.0	-77.41	409.75	6.20	-71.21
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@@H+](C(C)C)C3)CC2)=N1	REAL300003686769	0	55	0.0	-66.88	406.76	9.90	-56.98
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@H+](C(C)C)C3)CC2)=N1	REAL300003686769	1	55	0.0	-74.79	405.72	9.62	-65.17
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCC3=[NH+]C(C)=C(C)N3)CC2)=N1	REAL300003686788	1	50	0.0	-68.98	407.59	8.41	-60.57
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@H]3C[C@H]([NH+](C)C)C3)CC2)=N1	REAL300003687170	0	49	0.0	-76.31	385.65	8.79	-67.52
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)[C@H]3CC[C@@H]([NH+](C)C)CC3)CC2)=N1	REAL300003687174	0	55	0.0	-71.85	405.00	9.50	-62.35
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C4=NC(C)=C(C(=O)[O-])S4)CC3)=CN21	REAL300003687176	0	47	0.0	-73.56	392.55	10.17	-63.39
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@@H+](CC(C)C)C3)CC2)=N1	REAL300003687215	0	58	0.0	-69.59	428.67	10.68	-58.91
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@H+](CC(C)C)C3)CC2)=N1	REAL300003687215	1	58	0.0	-74.86	437.26	10.70	-64.16
CC[N@@H+]1CCCC(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300003687216	0	52	0.0	-68.02	389.10	9.30	-58.72
CC[N@H+]1CCCC(C(=O)N2CCC(C3=NC(C)=C(C(=O)[O-])S3)CC2)C1	REAL300003687216	1	52	0.0	-68.01	389.14	9.30	-58.71
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@@H+](C)C3)CC2)=N1	REAL300003687221	0	49	0.0	-73.51	379.52	8.52	-64.99
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3CCC[N@H+](C)C3)CC2)=N1	REAL300003687221	1	49	0.0	-76.89	380.93	8.58	-68.31
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C3=CC=C(C[NH+](C)C)O3)CC2)=N1	REAL300003687223	1	49	0.0	-79.38	396.81	8.70	-70.68
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C)(C)C3CCC[N@@H+](C)C3)CC2)=N1	REAL300003687229	0	58	0.0	-76.34	418.64	9.65	-66.69
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C(C)(C)C3CCC[N@H+](C)C3)CC2)=N1	REAL300003687229	1	58	0.0	-74.82	416.78	9.62	-65.20
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CC2)=N1	REAL300003687232	0	51	0.0	-71.53	396.35	9.52	-62.01
CC1=C(C(=O)[O-])SC(C2CCN(C(=O)C34CC(C3)C[N@H+]4C3CC3)CC2)=N1	REAL300003687232	1	51	0.0	-69.16	392.50	9.39	-59.77
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)N[C@@H]1C[C@H]1C1CCOCC1	REAL300003687276	0	48	0.0	-48.52	355.32	6.78	-41.74
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)N[C@@H]1C[C@H]1C1CCOCC1	REAL300003687276	1	48	0.0	-48.55	360.81	6.75	-41.80
COC1=CC=C(C2COCCN2C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003687377	0	52	0.0	-50.08	379.51	7.70	-42.38
COC1=CC=C(C2COCCN2C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003687377	1	52	0.0	-50.44	385.74	7.73	-42.71
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=C3C=CNC3=CC=C2)C1	REAL300003687504	0	44	0.0	-49.26	348.43	7.46	-41.80
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=C3C=CNC3=CC=C2)C1	REAL300003687504	1	44	0.0	-47.97	341.69	7.42	-40.55
CC1=NC(C2CC3CCC(C2)N3C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300003687622	0	52	0.0	-50.19	382.92	7.43	-42.76
CC1=NC(C2CC3CCC(C2)N3C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=NO1	REAL300003687622	1	52	0.0	-45.28	365.32	7.10	-38.18
CC1=C(F)C=C2NC=C(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300003687753	0	50	0.0	-53.30	390.54	8.92	-44.38
CC1=C(F)C=C2NC=C(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2=C1	REAL300003687753	1	50	0.0	-50.51	388.63	8.48	-42.03
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C(=O)C1=CC=CC=C1	REAL300003687868	1	53	0.0	-58.58	421.86	10.10	-48.48
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C(=O)C1=CC=CC=C1	REAL300003687868	1	53	0.0	-58.72	408.00	11.13	-47.59
CS(C)(=O)=NC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003687977	1	47	0.0	-62.09	370.49	5.63	-56.46
CS(C)(=O)=NC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003687977	1	47	0.0	-64.27	365.34	5.65	-58.62
CCCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C(C)C	REAL300003688126	0	56	0.0	-50.53	421.42	10.34	-40.19
CCCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C(C)C	REAL300003688126	1	56	0.0	-50.53	416.20	10.35	-40.18
C[C@@H]1C[C@H](C2=CC=CC=C2)C(C)(C)N1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003688265	0	56	0.0	-43.43	394.26	11.47	-31.96
C[C@@H]1C[C@H](C2=CC=CC=C2)C(C)(C)N1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003688265	1	56	0.0	-42.51	388.58	11.48	-31.03
COC1=CC2=C(C=C1OC)C(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CCCC2	REAL300003688433	0	58	0.0	-54.53	427.79	9.44	-45.09
COC1=CC2=C(C=C1OC)C(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CCCC2	REAL300003688433	1	58	0.0	-53.98	422.23	9.44	-44.54
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(CCCCO3)CC2)C1	REAL300003688560	0	51	0.0	-46.89	359.92	8.27	-38.62
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(CCCCO3)CC2)C1	REAL300003688560	1	51	0.0	-46.51	360.04	8.26	-38.25
O=C([O-])C1=CC(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1F	REAL300003689924	0	47	0.0	-95.14	374.55	10.75	-84.39
O=C([O-])C1=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)=CC=C1F	REAL300003690694	0	44	0.0	-81.46	351.64	9.64	-71.82
O=C([O-])C1=CC(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)=CC=C1F	REAL300003690694	1	44	0.0	-81.39	351.63	9.63	-71.76
O=C([O-])C1=CC(NC(=O)C2CC[NH+](C3CC3)CC2)=CC=C1F	REAL300003691618	0	41	0.0	-88.00	327.58	8.58	-79.42
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)CN12	REAL300003691646	1	39	0.0	-78.90	321.82	8.26	-70.64
O=C([O-])C1=CC(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)=CC=C1F	REAL300003691647	0	47	0.0	-77.12	378.15	10.69	-66.43
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)CC2)=CS1	REAL300003691723	1	46	0.0	-93.67	382.45	8.50	-85.17
CC(C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)N1CC[NH+](C)CC1	REAL300003691724	1	42	0.0	-83.42	326.91	5.36	-78.06
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300003691808	0	50	0.0	-92.05	407.73	10.27	-81.78
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300003691820	0	50	0.0	-82.85	408.81	12.58	-70.27
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300003691820	1	50	0.0	-82.35	408.81	12.60	-69.75
CC1(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003691822	0	50	0.0	-77.24	387.75	11.13	-66.11
C[NH+](C)CC1(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)CCCCC1	REAL300003691907	0	46	0.0	-79.81	336.67	9.10	-70.71
C[N@H+](CCC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)C1CCCCC1	REAL300003691911	0	46	0.0	-86.18	352.38	9.11	-77.07
C[N@@H+](CCC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)C1CCCCC1	REAL300003691911	1	46	0.0	-87.00	352.08	9.13	-77.87
O=C([O-])C1=CC(NC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)=CC=C1F	REAL300003691935	1	44	0.0	-85.10	357.90	9.71	-75.39
O=C([O-])C1=CC(NC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)=CC=C1F	REAL300003691935	1	44	0.0	-84.61	358.09	9.72	-74.89
O=C([O-])C1=CC(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=CC=C1F	REAL300003691992	0	40	0.0	-78.40	342.39	8.14	-70.26
C[NH+](C)CCN1N=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1C1=CC=CC=C1	REAL300003691997	0	50	0.0	-93.57	406.95	10.29	-83.28
O=C([O-])C1=CC(NC(=O)C2CCCC[N@@H+]2C2CCCC2)=CC=C1F	REAL300003692022	0	47	0.0	-77.65	351.81	9.32	-68.33
O=C([O-])C1=CC(NC(=O)C2CCCC[N@H+]2C2CCCC2)=CC=C1F	REAL300003692022	1	47	0.0	-68.99	351.08	9.35	-59.64
O=C([O-])C1=CC(NC(=O)C2CCC([NH+]3CCOCC3)CC2)=CC=C1F	REAL300003692023	0	48	0.0	-94.26	365.61	7.80	-86.46
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692054	1	38	0.0	-82.87	324.63	8.43	-74.44
O=C([O-])C1=CC(NC(=O)CCCC[NH+]2CCOCC2)=CC=C1F	REAL300003692055	1	44	0.0	-89.15	352.22	7.10	-82.05
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1)C(C)C	REAL300003692057	0	49	0.0	-77.97	379.74	10.63	-67.34
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1)C(C)C	REAL300003692057	1	49	0.0	-79.74	371.55	10.32	-69.42
O=C([O-])C1=CC(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1F	REAL300003692082	0	44	0.0	-85.52	356.77	9.90	-75.62
O=C([O-])C1=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1F	REAL300003692082	1	44	0.0	-84.49	359.03	10.00	-74.49
O=C([O-])C1=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=CC=C1F	REAL300003692083	0	45	0.0	-96.70	357.71	9.41	-87.29
C[NH+]1CCN(C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C2)CC1	REAL300003692112	1	49	0.0	-77.96	387.44	8.82	-69.14
O=C([O-])C1=CC(NC(=O)CC2([NH+]3CCOCC3)CCCC2)=CC=C1F	REAL300003692113	0	48	0.0	-88.52	346.88	7.18	-81.34
CC(C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)[N@H+](C)CC1=CC=CC=C1	REAL300003692116	0	43	0.0	-84.74	348.81	9.50	-75.24
CC(C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003692116	1	43	0.0	-84.81	348.59	9.50	-75.31
O=C([O-])C1=CC(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)=CC=C1F	REAL300003692127	0	50	0.0	-88.90	397.12	11.57	-77.33
O=C([O-])C1=CC(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)=CC=C1F	REAL300003692127	1	50	0.0	-78.27	391.12	11.75	-66.52
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300003692156	0	39	0.0	-92.11	327.61	7.16	-84.95
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692167	0	48	0.0	-85.24	375.64	9.74	-75.50
O=C([O-])C1=CC(NC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)=CC=C1F	REAL300003692168	1	48	0.0	-83.64	381.79	7.47	-76.17
CC[N@H+](C)C(C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300003692169	1	43	0.0	-79.29	347.32	9.62	-69.67
CC[N@@H+](C)C(C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300003692169	1	43	0.0	-71.68	342.11	9.44	-62.24
CC[NH+](CC)C(C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300003692174	0	46	0.0	-83.82	353.06	9.70	-74.12
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692180	1	38	0.0	-77.28	319.59	8.25	-69.03
C[NH+](C)C(C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)C1=CC=C(Cl)C=C1	REAL300003692182	1	40	0.0	-84.22	345.33	9.52	-74.70
O=C([O-])C1=CC(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=CC=C1F	REAL300003692196	0	44	0.0	-80.93	356.63	10.16	-70.77
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O=C([O-])C1=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)=CC=C1F	REAL300003692243	1	47	0.0	-80.16	363.14	10.50	-69.66
CC1=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=NN1C1=CC=[NH+]C=C1	REAL300003692245	1	38	0.0	-83.61	329.45	7.43	-76.18
O=C([O-])C1=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=CC=C1F	REAL300003692253	0	47	0.0	-81.13	373.38	10.87	-70.26
O=C([O-])C1=CC(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)=CC=C1F	REAL300003692265	1	40	0.0	-82.51	337.35	7.62	-74.89
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300003692266	0	43	0.0	-83.36	354.58	9.83	-73.53
O=C([O-])C1=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=CC=C1F	REAL300003692278	1	45	0.0	-95.57	368.35	9.45	-86.12
O=C([O-])C1=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=CC=C1F	REAL300003692278	1	45	0.0	-96.26	361.01	9.29	-86.97
CC(C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003692292	0	53	0.0	-81.58	412.20	12.00	-69.58
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692339	0	43	0.0	-84.65	353.09	9.94	-74.71
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692339	1	43	0.0	-84.49	353.09	9.94	-74.55
COCCOCC[N@H+](C)CCC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692340	0	47	0.0	-84.55	382.11	6.13	-78.42
COCCOCC[N@@H+](C)CCC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692340	1	47	0.0	-85.56	382.14	6.13	-79.43
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300003692344	0	41	0.0	-78.71	314.34	5.59	-73.12
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300003692344	1	41	0.0	-78.47	324.24	5.78	-72.69
O=C([O-])C1=CC(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)=CC=C1F	REAL300003692354	0	52	0.0	-89.69	408.26	9.66	-80.03
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692358	0	45	0.0	-83.84	357.41	9.28	-74.56
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692358	1	45	0.0	-82.99	357.68	9.26	-73.73
C[N@H+](CC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)C1CCSC1	REAL300003692387	1	38	0.0	-86.51	313.17	7.76	-78.75
C[N@@H+](CC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)C1CCSC1	REAL300003692387	1	38	0.0	-85.72	313.23	7.76	-77.96
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300003692402	0	48	0.0	-86.77	369.01	6.70	-80.07
CC(C)N1CC[NH+](CCC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300003692402	1	48	0.0	-85.36	365.63	6.49	-78.87
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300003692403	0	51	0.0	-83.08	390.51	7.50	-75.58
CC(C)N1CC[NH+](CCCC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300003692403	1	51	0.0	-85.38	387.12	7.28	-78.10
O=C([O-])C1=CC(NC(=O)C2CCCC3CCC[N@@H+]32)=CC=C1F	REAL300003692404	0	41	0.0	-78.58	310.26	8.05	-70.53
O=C([O-])C1=CC(NC(=O)C2CCCC3CCC[N@H+]32)=CC=C1F	REAL300003692404	1	41	0.0	-74.25	318.58	8.34	-65.91
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300003692406	0	40	0.0	-92.52	337.98	7.03	-85.49
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)CC2)=C1	REAL300003692413	0	52	0.0	-89.40	408.16	9.52	-79.88
O=C([O-])C1=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)=CC=C1F	REAL300003692415	0	49	0.0	-89.31	386.75	8.85	-80.46
O=C([O-])C1=CC(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=CC=C1F	REAL300003692418	0	46	0.0	-85.52	363.55	9.12	-76.40
O=C([O-])C1=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=CC=C1F	REAL300003692418	1	46	0.0	-86.60	363.65	9.15	-77.45
CC(C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003692423	1	44	0.0	-81.61	349.64	10.02	-71.59
CC(C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003692423	1	44	0.0	-83.57	348.48	10.05	-73.52
O=C([O-])C1=CC(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1F	REAL300003692451	0	47	0.0	-91.35	378.80	10.74	-80.61
O=C([O-])C1=CC(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1F	REAL300003692451	1	47	0.0	-91.71	379.25	10.74	-80.97
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=N1	REAL300003692466	0	40	0.0	-99.33	338.64	7.03	-92.30
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692467	0	40	0.0	-95.53	324.44	7.44	-88.09
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692473	1	41	0.0	-79.20	339.62	8.73	-70.47
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=NN1	REAL300003692477	1	41	0.0	-81.77	339.71	6.59	-75.18
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=NN1	REAL300003692477	1	41	0.0	-90.69	340.18	6.57	-84.12
O=C([O-])C1=CC(NC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)=CC=C1F	REAL300003692489	0	47	0.0	-85.71	381.79	10.75	-74.96
O=C([O-])C1=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)=CC=C1F	REAL300003692489	1	47	0.0	-79.99	375.13	10.98	-69.01
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692494	0	41	0.0	-84.51	325.05	6.23	-78.28
O=C([O-])C1=CC(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)=CC=C1F	REAL300003692495	0	48	0.0	-89.07	384.48	8.27	-80.80
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300003692548	1	47	0.0	-99.07	371.00	8.94	-90.13
O=C([O-])C1=CC(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)=CC=C1F	REAL300003692549	0	47	0.0	-82.59	358.68	9.38	-73.21
O=C([O-])C1=CC(NC(=O)C2CC[N@H+](C3CCCCC3)C2)=CC=C1F	REAL300003692549	1	47	0.0	-81.11	359.55	9.43	-71.68
O=C([O-])C1=CC(NC(=O)C23CCC[NH+](CCC2)C3)=CC=C1F	REAL300003692568	0	41	0.0	-83.88	311.11	7.71	-76.17
O=C([O-])C1=CC(NC(=O)C2CCC3CCCC[N@@H+]32)=CC=C1F	REAL300003692572	0	41	0.0	-81.74	315.44	8.03	-73.71
O=C([O-])C1=CC(NC(=O)C2CCC3CCCC[N@H+]32)=CC=C1F	REAL300003692572	1	41	0.0	-76.31	321.62	8.46	-67.85
O=C([O-])C1=CC(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)=CC=C1F	REAL300003692574	0	52	0.0	-84.96	405.87	9.98	-74.98
O=C([O-])C1=CC(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)=CC=C1F	REAL300003692574	1	52	0.0	-90.76	407.71	9.46	-81.30
CC(C)(C[NH+]1CCOCC1)C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692581	0	44	0.0	-73.52	334.39	6.54	-66.98
CC(C)[N@@H+]1CCC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C(C2=CN(C)N=C2)C1	REAL300003692586	0	53	0.0	-86.52	404.19	9.20	-77.32
CC(C)[N@H+]1CCC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C(C2=CN(C)N=C2)C1	REAL300003692586	1	53	0.0	-92.84	405.42	8.98	-83.86
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300003692587	0	47	0.0	-94.69	370.60	7.89	-86.80
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=N1	REAL300003692587	1	47	0.0	-91.43	368.07	8.09	-83.34
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)=C2)CC1	REAL300003692592	0	49	0.0	-85.58	390.80	8.42	-77.16
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)C=C2)CC1	REAL300003692593	0	49	0.0	-91.13	390.72	8.42	-82.71
CN1CC[NH+](CC2=CC=C(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)C=C2)CC1	REAL300003692593	1	49	0.0	-82.64	390.18	8.30	-74.34
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300003692594	0	50	0.0	-78.74	396.76	10.15	-68.59
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300003692600	0	43	0.0	-86.88	328.73	8.12	-78.76
O=C([O-])C1=CC(NC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)=CC=C1F	REAL300003692714	0	51	0.0	-83.78	405.06	8.18	-75.60
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300003692718	0	40	0.0	-79.64	332.10	8.99	-70.65
O=C([O-])C1=CC(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=CC=C1F	REAL300003692719	0	47	0.0	-79.25	368.63	10.88	-68.37
O=C([O-])C1=CC(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1F	REAL300003692719	1	47	0.0	-79.25	368.59	10.88	-68.37
C#CC[NH+]1CCC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300003692785	0	39	0.0	-90.63	322.71	8.33	-82.30
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692787	0	43	0.0	-79.65	334.88	8.50	-71.15
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692787	1	43	0.0	-80.65	325.46	8.33	-72.32
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692789	0	40	0.0	-61.67	324.86	9.23	-52.44
CC[NH+]1CCN(CCC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300003692791	0	45	0.0	-88.25	351.11	6.04	-82.21
CCN1CC[NH+](CCC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300003692791	1	45	0.0	-84.98	352.06	6.13	-78.85
CC(C)C(C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)[NH+]1CCCCC1	REAL300003692793	0	46	0.0	-70.44	346.00	9.37	-61.07
C[NH+](C)C(C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300003692794	1	40	0.0	-80.33	328.35	9.01	-71.32
O=C([O-])C1=CC(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)=CC=C1F	REAL300003692798	0	45	0.0	-79.60	367.73	6.98	-72.62
O=C([O-])C1=CC(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)=CC=C1F	REAL300003692798	1	45	0.0	-81.68	366.81	6.93	-74.75
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692804	1	41	0.0	-78.01	339.37	8.67	-69.34
C[NH+](C)CC1=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)OC2=CC=CC=C21	REAL300003692805	0	43	0.0	-69.15	359.27	9.36	-59.79
O=C([O-])C1=CC(NC(=O)C2CCC[N@@H+]2C2CCCC2)=CC=C1F	REAL300003692810	0	44	0.0	-85.83	330.36	8.62	-77.21
O=C([O-])C1=CC(NC(=O)C2CCC[N@H+]2C2CCCC2)=CC=C1F	REAL300003692810	1	44	0.0	-81.73	339.04	8.91	-72.82
CC(C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)[NH+]1CCCCCC1	REAL300003692840	0	43	0.0	-78.24	319.31	8.22	-70.02
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)=CC=C1N2	REAL300003692876	1	45	0.0	-82.85	366.89	9.43	-73.42
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)=CC=C1N2	REAL300003692876	1	45	0.0	-91.96	366.84	9.42	-82.54
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300003692934	0	43	0.0	-91.33	353.24	8.70	-82.63
O=C([O-])C1=CC(NC(=O)CCCC[NH+]2CCCC2)=CC=C1F	REAL300003692935	0	43	0.0	-85.82	345.28	8.83	-76.99
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)CC2)[NH+]=C1	REAL300003692937	1	46	0.0	-86.76	367.50	8.60	-78.16
C[N@H+](CC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300003692938	1	40	0.0	-86.59	330.62	9.10	-77.49
C[N@@H+](CC(=O)NC1=CC=C(F)C(C(=O)[O-])=C1)CC1=CC=CC=C1	REAL300003692938	1	40	0.0	-86.93	330.63	9.10	-77.83
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)C=C2)CC1	REAL300003692942	0	52	0.0	-96.27	400.13	9.37	-86.90
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=NO1	REAL300003692985	1	36	0.0	-83.99	312.02	6.49	-77.50
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692991	0	47	0.0	-87.31	375.03	10.39	-76.92
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003692991	1	47	0.0	-88.01	374.56	10.60	-77.41
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300003693015	0	48	0.0	-81.09	396.42	9.97	-71.12
C[NH+]1CCC(OCC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300003693032	0	41	0.0	-93.64	333.62	7.53	-86.11
O=C([O-])C1=CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=CC=C1F	REAL300003693038	0	44	0.0	-92.44	360.10	9.20	-83.24
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)[C@@H](C(F)(F)F)C1	REAL300003693079	0	46	0.0	-86.32	368.00	8.71	-77.61
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)[C@@H](C(F)(F)F)C1	REAL300003693079	1	46	0.0	-87.39	366.77	8.82	-78.57
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300003693223	0	43	0.0	-75.33	331.37	8.75	-66.58
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300003693223	1	43	0.0	-82.93	337.98	8.52	-74.41
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003693255	0	43	0.0	-80.64	332.66	8.17	-72.47
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(F)C(C(=O)[O-])=C1	REAL300003693255	1	43	0.0	-78.83	337.94	8.62	-70.21
O=C([O-])C1=CC(NC(=O)C[NH+]2CCC(CO)CC2)=CC=C1F	REAL300003693258	1	41	0.0	-84.21	327.56	4.69	-79.52
O=C([O-])C1=CC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)=CC=C1F	REAL300003693352	0	48	0.0	-91.61	382.62	10.97	-80.64
O=C([O-])C1=CC(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)=CC=C1F	REAL300003693352	1	48	0.0	-88.82	383.84	11.02	-77.80
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300003693479	0	43	0.0	-75.15	326.51	8.53	-66.62
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300003693479	1	43	0.0	-74.76	326.37	8.48	-66.28
C[N@@H+]1CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300003693480	0	37	0.0	-89.10	317.89	7.25	-81.85
C[N@H+]1CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300003693480	1	37	0.0	-84.39	310.40	7.17	-77.22
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)N1	REAL300003693506	1	38	0.0	-79.57	323.89	6.81	-72.76
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300003693980	0	43	0.0	-87.90	354.30	9.85	-78.05
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C=C1	REAL300003693986	0	44	0.0	-80.27	361.57	8.80	-71.47
O=C([O-])C1=CC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=CC=C1F	REAL300003694076	0	50	0.0	-82.47	393.37	11.47	-71.00
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)C=C2)CCO1	REAL300003694078	1	48	0.0	-97.89	379.47	9.17	-88.72
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(F)C(C(=O)[O-])=C3)C=C2)CCO1	REAL300003694078	1	48	0.0	-98.03	379.48	9.16	-88.87
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300003694121	0	43	0.0	-81.97	326.02	8.18	-73.79
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300003694187	0	46	0.0	-77.04	345.88	9.41	-67.63
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300003694187	1	46	0.0	-77.04	345.88	9.41	-67.63
CN(C)CC1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300003694192	0	37	0.0	-93.10	317.44	7.23	-85.87
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)O1	REAL300003694192	1	37	0.0	-93.10	317.44	7.23	-85.87
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300003694197	0	46	0.0	-86.75	343.98	8.63	-78.12
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300003694197	1	46	0.0	-86.75	343.98	8.63	-78.12
O=C([O-])C1=CC(NC(=O)C23CC(C2)CN3C2CC2)=CC=C1F	REAL300003694200	0	39	0.0	-82.36	312.31	8.22	-74.14
O=C([O-])C1=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=CC=C1F	REAL300003694200	1	39	0.0	-87.96	310.55	8.51	-79.45
O=C([O-])C1=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=CC=C1F	REAL300003694200	1	39	0.0	-87.96	310.55	8.51	-79.45
CCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1CCCOC1	REAL300003694239	0	50	0.0	-47.72	352.39	6.99	-40.73
O=C([O-])C1CCC[N@H+](CC(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C1	REAL300003694337	0	48	0.0	-44.34	349.99	10.30	-34.04
O=C([O-])C1CCC[N@@H+](CC(=O)N2C[C@@H]3CC[C@H]2C2=CC=CC=C23)C1	REAL300003694337	1	48	0.0	-44.34	349.99	10.30	-34.04
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(CC2)COCCO3)C1	REAL300003694447	0	49	0.0	-47.83	353.65	6.54	-41.29
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(CC2)COCCO3)C1	REAL300003694447	1	49	0.0	-47.83	353.65	6.54	-41.29
O=C([O-])C1CCC[N@H+](CC(=O)NC2CC3(CCOCC3)OC3=CC=CC=C32)C1	REAL300003694563	0	56	0.0	-51.53	408.63	7.90	-43.63
O=C([O-])C1(O)CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300003695871	0	48	0.0	-78.21	364.71	7.21	-71.00
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300003696632	0	45	0.0	-65.23	350.59	6.85	-58.38
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300003696632	1	45	0.0	-65.55	352.47	6.83	-58.72
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300003697348	1	45	0.0	-68.72	367.32	7.36	-61.36
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1	REAL300003697348	1	45	0.0	-63.51	361.64	6.90	-56.61
O=C([O-])C1(O)CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1	REAL300003697422	0	48	0.0	-66.41	357.85	6.68	-59.73
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(O)(C(=O)[O-])C3)CC2)=CS1	REAL300003697483	1	47	0.0	-77.44	377.03	5.18	-72.26
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300003697539	0	51	0.0	-76.87	402.57	7.06	-69.81
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300003697552	0	51	0.0	-75.63	398.28	8.92	-66.71
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300003697552	1	51	0.0	-75.82	398.31	8.91	-66.91
CC1(C(=O)N2CCC(O)(C(=O)[O-])C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003697553	0	51	0.0	-64.05	372.79	7.38	-56.67
O=C([O-])C1(O)CCN(C(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003697591	0	48	0.0	-66.74	375.70	7.05	-59.69
O=C([O-])C1(O)CCN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003697591	1	48	0.0	-71.11	376.41	7.14	-63.97
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300003697646	1	48	0.0	-67.49	364.92	7.20	-60.29
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300003697646	1	48	0.0	-64.97	371.81	7.42	-57.55
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1	REAL300003697647	1	45	0.0	-69.69	357.00	6.91	-62.78
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1	REAL300003697647	1	45	0.0	-64.32	351.32	6.45	-57.87
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1	REAL300003697693	0	41	0.0	-76.25	334.45	4.53	-71.72
C[NH+](C)CCN1N=CC(C(=O)N2CCC(O)(C(=O)[O-])C2)=C1C1=CC=CC=C1	REAL300003697698	0	51	0.0	-75.45	400.83	6.74	-68.71
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C1	REAL300003697722	0	48	0.0	-59.64	343.96	5.98	-53.66
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)C1	REAL300003697722	1	48	0.0	-60.00	344.19	5.96	-54.04
O=C([O-])C1(O)CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1	REAL300003697723	0	49	0.0	-66.54	349.70	4.16	-62.38
O=C([O-])C1(O)CCN(C(=O)CCCC[NH+]2CCOCC2)C1	REAL300003697746	1	45	0.0	-75.83	346.65	3.92	-71.91
CC[N@H+](CC1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])C2)C=C1)C(C)C	REAL300003697747	0	50	0.0	-76.17	367.66	6.83	-69.34
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])C2)C=C1)C(C)C	REAL300003697747	1	50	0.0	-78.50	362.88	6.63	-71.87
O=C([O-])C1(O)CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003697768	0	45	0.0	-70.68	348.57	6.53	-64.15
O=C([O-])C1(O)CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003697768	1	45	0.0	-70.80	347.87	6.50	-64.30
O=C([O-])C1(O)CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)C1	REAL300003697769	0	46	0.0	-79.73	343.77	5.66	-74.07
C[NH+]1CCN(C(C(=O)N2CCC(O)(C(=O)[O-])C2)C2=CC=CC=C2)CC1	REAL300003697790	1	50	0.0	-68.51	374.68	4.60	-63.91
O=C([O-])C1(O)CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1	REAL300003697791	0	49	0.0	-71.27	345.28	4.18	-67.09
CC(C(=O)N1CCC(O)(C(=O)[O-])C1)[N@H+](C)CC1=CC=CC=C1	REAL300003697794	0	44	0.0	-65.45	342.07	6.25	-59.20
CC(C(=O)N1CCC(O)(C(=O)[O-])C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003697794	1	44	0.0	-66.23	341.17	6.19	-60.04
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1	REAL300003697802	0	51	0.0	-71.90	381.64	8.08	-63.82
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1	REAL300003697802	1	51	0.0	-63.74	382.82	8.35	-55.39
CCC[NH+](CCC)CCCC(=O)N1CCC(O)(C(=O)[O-])C1	REAL300003697839	0	49	0.0	-71.96	366.46	6.26	-65.70
O=C([O-])C1(O)CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1	REAL300003697840	1	49	0.0	-60.85	366.92	3.54	-57.31
CC[N@H+](C)C(C(=O)N1CCC(O)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003697841	0	44	0.0	-61.21	337.74	6.16	-55.05
CC[N@@H+](C)C(C(=O)N1CCC(O)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003697841	1	44	0.0	-62.15	334.38	6.34	-55.81
CC[NH+](CC)C(C(=O)N1CCC(O)(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003697845	0	47	0.0	-63.22	345.52	6.58	-56.64
C[NH+](C)C(C(=O)N1CCC(O)(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300003697848	1	41	0.0	-65.83	336.54	6.03	-59.80
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1	REAL300003697862	0	45	0.0	-79.46	347.87	6.52	-72.94
O=C([O-])C1(O)CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1	REAL300003697869	0	48	0.0	-71.29	363.18	7.16	-64.13
CCN1CCC([NH+]2CCC(C(=O)N3CCC(O)(C(=O)[O-])C3)CC2)CC1	REAL300003697875	0	56	0.0	-75.79	397.77	4.84	-70.95
CC1C[NH+](CC2=CC=C(C(=O)N3CCC(O)(C(=O)[O-])C3)C=C2)CC(C)O1	REAL300003697881	1	52	0.0	-82.37	397.98	6.26	-76.11
O=C([O-])C1(O)CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003697892	1	49	0.0	-80.12	382.73	6.89	-73.23
O=C([O-])C1(O)CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003697892	1	49	0.0	-82.34	376.05	6.83	-75.51
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300003697906	0	48	0.0	-63.18	358.56	7.13	-56.05
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1	REAL300003697906	1	48	0.0	-63.32	358.57	7.13	-56.19
CC1=C(C(=O)N2CCC(O)(C(=O)[O-])C2)C=NN1C1=CC=[NH+]C=C1	REAL300003697908	1	39	0.0	-77.02	319.17	3.78	-73.24
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1	REAL300003697916	0	48	0.0	-79.75	364.63	7.23	-72.52
O=C([O-])C1(O)CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1	REAL300003697927	1	41	0.0	-75.86	330.01	4.69	-71.17
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300003697928	0	44	0.0	-81.68	345.57	6.22	-75.46
O=C([O-])C1(O)CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003697935	1	46	0.0	-76.98	359.13	6.14	-70.84
O=C([O-])C1(O)CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1	REAL300003697935	1	46	0.0	-71.07	351.32	5.96	-65.11
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(O)(C(=O)[O-])C1	REAL300003697940	0	55	0.0	-63.48	413.02	8.36	-55.12
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(O)(C(=O)[O-])C1	REAL300003697940	1	55	0.0	-60.66	400.15	8.36	-52.30
CC(C(=O)N1CCC(O)(C(=O)[O-])C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003697948	0	54	0.0	-68.06	398.04	8.44	-59.62
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(O)(C(=O)[O-])C1	REAL300003697979	0	44	0.0	-69.56	347.53	6.73	-62.83
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(O)(C(=O)[O-])C1	REAL300003697979	1	44	0.0	-69.45	347.54	6.73	-62.72
COCCOCC[N@H+](C)CCC(=O)N1CCC(O)(C(=O)[O-])C1	REAL300003697980	0	48	0.0	-70.94	376.53	2.94	-68.00
COCCOCC[N@@H+](C)CCC(=O)N1CCC(O)(C(=O)[O-])C1	REAL300003697980	1	48	0.0	-72.00	376.57	2.97	-69.03
O=C([O-])C1(O)CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300003697989	0	53	0.0	-76.83	402.67	6.47	-70.36
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1	REAL300003697990	1	47	0.0	-67.64	353.52	5.38	-62.26
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1	REAL300003697990	1	47	0.0	-67.94	353.72	5.37	-62.57
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1	REAL300003697991	1	47	0.0	-68.51	353.59	5.26	-63.25
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1	REAL300003697991	1	47	0.0	-67.73	360.70	5.62	-62.11
CC(C)[NH+]1CCN(CCC(=O)N2CCC(O)(C(=O)[O-])C2)CC1	REAL300003698020	0	49	0.0	-70.82	363.75	3.51	-67.31
CC(C)N1CC[NH+](CCC(=O)N2CCC(O)(C(=O)[O-])C2)CC1	REAL300003698020	1	49	0.0	-70.61	360.24	3.30	-67.31
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(O)(C(=O)[O-])C2)CC1	REAL300003698021	0	52	0.0	-70.30	385.24	4.31	-65.99
CC(C)N1CC[NH+](CCCC(=O)N2CCC(O)(C(=O)[O-])C2)CC1	REAL300003698021	1	52	0.0	-72.47	381.74	4.11	-68.36
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(O)(C(=O)[O-])C3)CC2)=C1	REAL300003698026	0	53	0.0	-75.09	402.60	6.34	-68.75
O=C([O-])C1(O)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1	REAL300003698027	0	50	0.0	-74.91	381.20	5.67	-69.24
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1	REAL300003698031	0	47	0.0	-72.02	353.93	5.63	-66.39
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1	REAL300003698031	1	47	0.0	-68.96	353.90	5.52	-63.44
CC(C(=O)N1CCC(O)(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003698035	1	45	0.0	-51.93	345.44	6.65	-45.28
CC(C(=O)N1CCC(O)(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003698035	1	45	0.0	-66.04	345.18	6.63	-59.41
CCC(CC)C(C(=O)N1CCC(O)(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300003698048	1	51	0.0	-59.66	347.37	4.35	-55.31
O=C([O-])C1(O)CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003698062	0	48	0.0	-75.32	372.59	7.47	-67.85
O=C([O-])C1(O)CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003698062	1	48	0.0	-75.15	374.82	7.59	-67.56
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(O)(C(=O)[O-])C2)=NN1	REAL300003698077	1	42	0.0	-77.20	331.25	3.60	-73.60
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(O)(C(=O)[O-])C2)=NN1	REAL300003698077	1	42	0.0	-73.38	325.19	2.96	-70.42
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300003698087	0	48	0.0	-72.13	365.36	7.46	-64.67
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1	REAL300003698087	1	48	0.0	-68.02	365.44	7.44	-60.58
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1	REAL300003698088	1	44	0.0	-61.09	342.81	4.77	-56.32
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1	REAL300003698088	1	44	0.0	-67.40	344.32	4.95	-62.45
O=C([O-])C1(O)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300003698090	0	49	0.0	-74.69	378.95	5.09	-69.60
O=C([O-])C1(O)CCN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C1	REAL300003698123	0	48	0.0	-70.16	352.08	6.06	-64.10
O=C([O-])C1(O)CCN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C1	REAL300003698123	1	48	0.0	-68.23	349.72	6.07	-62.16
O=C([O-])C1(O)CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300003698139	0	53	0.0	-76.11	399.90	6.38	-69.73
O=C([O-])C1(O)CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1	REAL300003698139	1	53	0.0	-73.11	398.72	6.79	-66.32
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(O)(C(=O)[O-])C1	REAL300003698143	0	45	0.0	-70.10	322.26	2.90	-67.20
CC(C)[N@@H+]1CCC(C(=O)N2CCC(O)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003698147	0	54	0.0	-75.42	395.05	5.91	-69.51
CC(C)[N@H+]1CCC(C(=O)N2CCC(O)(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003698147	1	54	0.0	-73.09	387.74	5.43	-67.66
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(O)(C(=O)[O-])C2)C=N1	REAL300003698148	0	48	0.0	-81.34	375.74	5.04	-76.30
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(O)(C(=O)[O-])C2)C=N1	REAL300003698148	1	48	0.0	-76.28	354.04	4.29	-71.99
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCC(O)(C(=O)[O-])C3)=C2)CC1	REAL300003698153	0	50	0.0	-74.63	380.23	4.74	-69.89
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(O)(C(=O)[O-])C3)C=C2)CC1	REAL300003698154	0	50	0.0	-68.09	379.97	4.77	-63.32
CN1CC[NH+](CC2=CC=C(C(=O)N3CCC(O)(C(=O)[O-])C3)C=C2)CC1	REAL300003698154	1	50	0.0	-80.67	381.13	4.68	-75.99
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300003698155	0	51	0.0	-63.49	386.30	6.44	-57.05
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300003698230	0	52	0.0	-82.24	396.30	4.54	-77.70
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003698232	0	48	0.0	-66.24	359.00	7.38	-58.86
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003698232	1	48	0.0	-69.77	360.44	7.30	-62.47
O=C([O-])C1(O)CCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003698287	0	46	0.0	-68.39	360.52	3.72	-64.67
O=C([O-])C1(O)CCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003698287	1	46	0.0	-54.57	358.11	3.91	-50.66
C[NH+](C)CC1=C(C(=O)N2CCC(O)(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300003698291	0	44	0.0	-59.67	345.79	6.13	-53.54
CC[NH+](CC)C(C(=O)N1CCC(O)(C(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003698293	0	50	0.0	-66.34	383.79	7.74	-58.60
O=C([O-])C1(O)CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300003698317	1	46	0.0	-61.34	360.94	7.07	-54.27
CC(C)C(C(=O)N1CCC(O)(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300003698318	1	51	0.0	-62.12	358.59	4.49	-57.63
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(O)(C(=O)[O-])C3)=CC=C1N2	REAL300003698341	1	46	0.0	-78.39	358.10	5.78	-72.61
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(O)(C(=O)[O-])C3)=CC=C1N2	REAL300003698341	1	46	0.0	-80.99	356.29	5.68	-75.31
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])C2)O1	REAL300003698391	0	44	0.0	-73.56	341.23	5.26	-68.30
CC1=CC=C(N2CCC(C(=O)N3CCC(O)(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300003698393	1	47	0.0	-71.86	358.06	5.10	-66.76
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCC(O)(C(=O)[O-])C3)C=C2)CC1	REAL300003698396	0	53	0.0	-77.19	390.77	5.77	-71.42
O=C([O-])C1(O)CCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300003698405	1	36	0.0	-76.56	302.32	3.37	-73.19
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(O)(C(=O)[O-])C1	REAL300003698436	0	48	0.0	-75.45	370.66	7.17	-68.28
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(O)(C(=O)[O-])C1	REAL300003698436	1	48	0.0	-71.03	370.07	7.35	-63.68
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300003698452	0	49	0.0	-78.55	390.00	6.79	-71.76
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300003698468	0	45	0.0	-74.39	350.45	5.94	-68.45
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(O)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003698494	0	47	0.0	-71.22	358.45	5.30	-65.92
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(O)(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003698494	1	47	0.0	-62.71	362.34	5.41	-57.30
O=C([O-])C1(O)CCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300003698695	0	49	0.0	-75.48	373.22	7.54	-67.94
O=C([O-])C1(O)CCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300003698695	1	49	0.0	-73.08	374.69	7.53	-65.55
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300003698724	1	48	0.0	-70.50	364.23	7.21	-63.29
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300003698724	1	48	0.0	-61.74	372.25	7.41	-54.33
C[N@@H+]1CC(C(=O)N2CCC(O)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003698792	0	38	0.0	-71.09	308.41	3.90	-67.19
C[N@H+]1CC(C(=O)N2CCC(O)(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003698792	1	38	0.0	-75.45	302.23	3.56	-71.89
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300003699162	0	44	0.0	-76.45	348.08	6.29	-70.16
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300003699166	0	45	0.0	-65.41	351.11	5.12	-60.29
O=C([O-])C1(O)CCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300003699233	0	51	0.0	-70.63	388.16	8.27	-62.36
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(O)(C(=O)[O-])C3)C=C2)CCO1	REAL300003699235	1	49	0.0	-69.34	368.58	5.50	-63.84
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(O)(C(=O)[O-])C3)C=C2)CCO1	REAL300003699235	1	49	0.0	-81.85	370.38	5.54	-76.31
CC(C)(C)C12CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)(C1)C2	REAL300003699348	0	50	0.0	-47.89	376.80	8.59	-39.30
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CCC2(CCC2)O1	REAL300003699547	0	48	0.0	-45.18	355.46	6.72	-38.46
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCCC12CCCO2	REAL300003699683	0	48	0.0	-44.57	351.86	6.99	-37.58
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)N[C@@H]1CCC[C@]12CCCO2	REAL300003699745	0	48	0.0	-49.66	350.80	7.03	-42.63
CC(C)(C)CCN(CCC1=CC=CC=C1)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003699851	0	61	0.0	-46.80	442.85	13.52	-33.28
CC(C)(C)CCN(CCC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003699851	1	61	0.0	-46.80	442.85	13.52	-33.28
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCCC(C3CCOCC3)C2)C1	REAL300003700026	0	57	0.0	-44.32	390.71	9.23	-35.09
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCCC(C3CCOCC3)C2)C1	REAL300003700026	1	57	0.0	-47.50	398.22	9.69	-37.81
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CC(=O)N(CC2CC2)C1	REAL300003700146	0	48	0.0	-58.46	367.34	7.10	-51.36
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CC(=O)N(CC2CC2)C1	REAL300003700146	1	48	0.0	-57.82	372.69	7.09	-50.73
CC1=CC=C(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2(C)C)C=C1	REAL300003700286	0	56	0.0	-47.51	407.01	11.95	-35.56
CC1=CC=C(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2(C)C)C=C1	REAL300003700286	1	56	0.0	-48.87	401.47	11.98	-36.89
CC1(C)C(C2=CC=CC=C2Cl)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003700393	0	53	0.0	-45.10	390.36	11.17	-33.93
CC1(C)C(C2=CC=CC=C2Cl)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003700393	1	53	0.0	-49.51	393.41	11.70	-37.81
O=C([O-])C1CCC[N@H+](CC(=O)NCC(F)(F)C2=CC(F)=CC(F)=C2)C1	REAL300003700508	1	43	0.0	-47.16	352.81	7.98	-39.18
O=C([O-])C1CCC[N@@H+](CC(=O)NCC(F)(F)C2=CC(F)=CC(F)=C2)C1	REAL300003700508	1	43	0.0	-47.87	354.72	8.42	-39.45
O=C([O-])C1CCC[N@H+](CC(=O)N2CCCC2C2=CC=CC=C2C(F)(F)F)C1	REAL300003700623	0	50	0.0	-51.19	384.42	11.49	-39.70
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCCC2C2=CC=CC=C2C(F)(F)F)C1	REAL300003700623	1	50	0.0	-50.47	384.75	11.53	-38.94
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NC1CCCC12CCCCO2	REAL300003700717	0	51	0.0	-49.82	360.51	7.50	-42.32
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NC1CCCC12CCCCO2	REAL300003700717	1	51	0.0	-48.75	363.92	7.49	-41.26
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2CCCC2(F)F)C1	REAL300003700826	0	46	0.0	-50.01	350.86	7.83	-42.18
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2CCCC2(F)F)C1	REAL300003700826	1	46	0.0	-51.58	344.65	7.81	-43.77
O=C([O-])C(CO)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003701950	0	44	0.0	-76.44	346.84	4.90	-71.54
O=C([O-])C(CO)NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300003703129	0	44	0.0	-65.93	349.29	4.91	-61.02
CC1=NC(C[NH+]2CCC(C(=O)NC(CO)C(=O)[O-])CC2)=CS1	REAL300003703162	1	43	0.0	-75.94	354.56	2.71	-73.23
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CO)C(=O)[O-])C=C1	REAL300003703195	0	47	0.0	-80.17	379.96	4.52	-75.65
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CO)C(=O)[O-])=C1	REAL300003703200	0	47	0.0	-82.11	380.89	6.81	-75.30
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CO)C(=O)[O-])=C1	REAL300003703200	1	47	0.0	-80.68	380.41	6.82	-73.86
CC1(C(=O)NC(CO)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300003703201	0	47	0.0	-56.09	358.03	5.34	-50.75
O=C([O-])C(CO)NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003703228	0	44	0.0	-69.04	361.85	5.26	-63.78
O=C([O-])C(CO)NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003703228	1	44	0.0	-59.03	362.62	5.29	-53.74
O=C([O-])C(CO)NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300003703257	1	41	0.0	-67.14	337.58	4.55	-62.59
O=C([O-])C(CO)NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300003703257	1	41	0.0	-61.53	335.05	4.38	-57.15
O=C([O-])C(CO)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003703293	0	37	0.0	-81.05	314.70	2.38	-78.67
C[NH+](C)CCN1N=CC(C(=O)NC(CO)C(=O)[O-])=C1C1=CC=CC=C1	REAL300003703297	0	47	0.0	-84.40	379.30	4.48	-79.92
O=C([O-])C(CO)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003703315	0	45	0.0	-79.38	337.75	1.99	-77.39
CC[N@H+](CC1=CC=C(C(=O)NC(CO)C(=O)[O-])C=C1)C(C)C	REAL300003703325	0	46	0.0	-79.19	352.24	4.84	-74.35
CC[N@@H+](CC1=CC=C(C(=O)NC(CO)C(=O)[O-])C=C1)C(C)C	REAL300003703325	1	46	0.0	-79.36	343.04	4.42	-74.94
O=C([O-])C(CO)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003703340	0	42	0.0	-74.93	325.85	3.36	-71.57
C[NH+]1CCN(C(C(=O)NC(CO)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300003703357	1	46	0.0	-72.13	359.44	3.02	-69.11
O=C([O-])C(CO)NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003703358	0	45	0.0	-69.85	323.21	1.66	-68.19
O=C([O-])C(CO)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003703364	0	47	0.0	-63.70	363.42	5.98	-57.72
O=C([O-])C(CO)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003703364	1	47	0.0	-58.22	361.51	5.95	-52.27
O=C([O-])C(CO)NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300003703394	1	45	0.0	-60.96	353.45	1.68	-59.28
C[NH+](C)C(C(=O)NC(CO)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300003703398	1	37	0.0	-63.32	317.28	3.78	-59.54
O=C([O-])C(CO)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003703408	0	44	0.0	-77.27	345.75	5.07	-72.20
CCN1CCC([NH+]2CCC(C(=O)NC(CO)C(=O)[O-])CC2)CC1	REAL300003703413	0	52	0.0	-71.84	380.76	2.71	-69.13
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC(CO)C(=O)[O-])=C1	REAL300003703415	0	54	0.0	-67.45	429.53	8.43	-59.02
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC(CO)C(=O)[O-])=C1	REAL300003703415	1	54	0.0	-79.78	428.09	8.23	-71.55
CC1C[NH+](CC2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)CC(C)O1	REAL300003703419	1	48	0.0	-86.53	378.53	4.12	-82.41
O=C([O-])C(CO)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003703429	1	45	0.0	-80.89	353.59	4.20	-76.69
O=C([O-])C(CO)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003703429	1	45	0.0	-79.55	353.58	4.20	-75.35
O=C([O-])C(CO)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300003703442	0	44	0.0	-61.21	344.53	4.91	-56.30
O=C([O-])C(CO)NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300003703442	1	44	0.0	-61.16	333.16	4.69	-56.47
O=C([O-])C(CO)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003703445	0	44	0.0	-83.09	344.95	5.04	-78.05
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NC(CO)C(=O)[O-]	REAL300003703452	0	54	0.0	-75.23	416.24	7.73	-67.50
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NC(CO)C(=O)[O-]	REAL300003703452	1	54	0.0	-72.34	418.07	7.82	-64.52
O=C([O-])C(CO)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003703455	1	42	0.0	-74.46	332.99	3.59	-70.87
O=C([O-])C(CO)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003703455	1	42	0.0	-59.04	333.10	3.57	-55.47
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC(CO)C(=O)[O-]	REAL300003703456	0	51	0.0	-68.26	390.09	6.59	-61.67
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC(CO)C(=O)[O-]	REAL300003703456	1	51	0.0	-65.94	383.04	6.27	-59.67
CC(C(=O)NC(CO)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003703463	0	50	0.0	-58.11	378.75	6.12	-51.99
O=C([O-])C(CO)NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003703483	0	49	0.0	-74.37	379.84	3.87	-70.50
CC(C)[NH+]1CCN(CCCC(=O)NC(CO)C(=O)[O-])CC1	REAL300003703500	0	48	0.0	-73.22	362.88	1.70	-71.52
CC(C)N1CC[NH+](CCCC(=O)NC(CO)C(=O)[O-])CC1	REAL300003703500	1	48	0.0	-70.20	358.71	1.50	-68.70
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CO)C(=O)[O-])CC2)=C1	REAL300003703501	0	49	0.0	-70.25	379.74	3.73	-66.52
O=C([O-])C(CO)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003703502	0	46	0.0	-70.83	358.83	3.05	-67.78
O=C([O-])C(CO)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003703504	0	43	0.0	-70.36	341.60	3.16	-67.20
O=C([O-])C(CO)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003703504	1	43	0.0	-71.08	341.87	3.10	-67.98
O=C([O-])C(CO)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003703526	0	44	0.0	-75.48	351.08	4.95	-70.53
O=C([O-])C(CO)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003703526	1	44	0.0	-74.33	348.84	4.93	-69.40
O=C([O-])C(CO)NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003703539	0	44	0.0	-68.81	346.83	5.20	-63.61
O=C([O-])C(CO)NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003703539	1	44	0.0	-71.74	353.55	4.97	-66.77
O=C([O-])C(CO)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003703541	0	45	0.0	-70.47	356.56	2.47	-68.00
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CO)C(=O)[O-])CC1	REAL300003703555	1	44	0.0	-81.25	343.42	3.20	-78.05
O=C([O-])C(CO)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300003703565	0	49	0.0	-72.31	379.53	3.89	-68.42
O=C([O-])C(CO)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300003703565	1	49	0.0	-73.71	374.99	3.55	-70.16
CC(C)[N@@H+]1CCC(C(=O)NC(CO)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003703567	0	50	0.0	-75.79	375.93	3.46	-72.33
CC(C)[N@H+]1CCC(C(=O)NC(CO)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003703567	1	50	0.0	-62.93	368.81	2.96	-59.97
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC(CO)C(=O)[O-])C=N1	REAL300003703568	0	44	0.0	-70.63	332.01	1.79	-68.84
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC(CO)C(=O)[O-])C=N1	REAL300003703568	1	44	0.0	-76.06	349.90	2.59	-73.47
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CO)C(=O)[O-])=C2)CC1	REAL300003703571	0	46	0.0	-77.84	362.38	2.66	-75.18
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)CC1	REAL300003703572	0	46	0.0	-80.54	361.43	2.48	-78.06
CN1CC[NH+](CC2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)CC1	REAL300003703572	1	46	0.0	-83.80	361.77	2.54	-81.26
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CO)C(=O)[O-])C=C1	REAL300003703573	0	47	0.0	-82.10	368.69	4.37	-77.73
O=C([O-])C(CO)NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003703600	0	48	0.0	-86.60	376.94	2.39	-84.21
O=C([O-])C(CO)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003703602	0	44	0.0	-66.31	347.18	4.91	-61.40
O=C([O-])C(CO)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003703602	1	44	0.0	-67.37	346.97	4.95	-62.42
O=C([O-])C(CO)NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003703641	0	42	0.0	-65.27	339.76	1.22	-64.05
O=C([O-])C(CO)NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003703641	1	42	0.0	-63.82	338.87	1.21	-62.61
C[NH+](C)CC1=C(C(=O)NC(CO)C(=O)[O-])OC2=CC=CC=C21	REAL300003703644	0	40	0.0	-57.49	324.79	3.56	-53.93
CC[NH+](CC)C(C(=O)NC(CO)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003703646	0	46	0.0	-63.20	365.95	5.00	-58.20
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CO)C(=O)[O-])=CC=C1N2	REAL300003703676	1	42	0.0	-84.12	338.49	3.67	-80.45
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CO)C(=O)[O-])=CC=C1N2	REAL300003703676	1	42	0.0	-84.06	339.05	3.67	-80.39
CC1=CC=C(N2CCC(C(=O)NC(CO)C(=O)[O-])CC2)[NH+]=C1	REAL300003703705	1	43	0.0	-73.25	340.07	2.79	-70.46
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)CC1	REAL300003703707	0	49	0.0	-83.59	372.06	3.64	-79.95
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CO)C(=O)[O-]	REAL300003703724	0	44	0.0	-76.75	350.61	4.75	-72.00
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CO)C(=O)[O-]	REAL300003703724	1	44	0.0	-70.52	347.49	4.79	-65.73
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CO)C(=O)[O-])C=C1	REAL300003703736	0	45	0.0	-84.59	368.39	4.22	-80.37
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC(CO)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003703759	0	43	0.0	-63.86	340.03	2.90	-60.96
CC(C)(C)[N@H+]1C[C@H](C(=O)NC(CO)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003703759	1	43	0.0	-68.62	338.66	3.00	-65.62
O=C([O-])C(CO)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300003703865	0	45	0.0	-68.51	354.38	5.23	-63.28
O=C([O-])C(CO)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300003703865	1	45	0.0	-78.50	355.78	5.25	-73.25
O=C([O-])C(CO)NC(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300003704142	0	52	0.0	-85.59	411.01	4.96	-80.63
O=C([O-])C(CO)NC(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300003704142	1	52	0.0	-86.78	412.21	4.83	-81.95
O=C([O-])C(CO)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003704167	0	47	0.0	-68.29	365.25	5.67	-62.62
CC1C[N@H+](CC2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)CCO1	REAL300003704168	1	45	0.0	-86.20	351.40	3.44	-82.76
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)CCO1	REAL300003704168	1	45	0.0	-84.94	351.11	3.41	-81.53
CC(C)(C)[N@@H+]1CC[C@H](C(=O)NC(CO)C(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300003704194	0	53	0.0	-69.09	386.51	6.11	-62.98
CC(C)(C)[N@H+]1CC[C@H](C(=O)NC(CO)C(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300003704194	1	53	0.0	-77.20	401.70	6.23	-70.97
COC1(C(F)(F)F)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003704313	0	44	0.0	-49.86	341.14	6.36	-43.50
COC1(C(F)(F)F)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003704313	1	44	0.0	-46.38	333.49	5.93	-40.45
O=C([O-])C1CCC[N@H+](CC(=O)NC2(C3=NC=CC=N3)CCC2)C1	REAL300003704464	0	45	0.0	-46.77	342.25	6.20	-40.57
O=C([O-])C1CCC[N@@H+](CC(=O)NC2(C3=NC=CC=N3)CCC2)C1	REAL300003704464	1	45	0.0	-50.20	343.64	6.59	-43.61
O=C([O-])C1CCC[N@H+](CC(=O)N[C@]2(C3=CC=CC=C3)C[C@@H](F)C2)C1	REAL300003704563	0	47	0.0	-52.62	360.90	9.50	-43.12
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@]2(C3=CC=CC=C3)C[C@@H](F)C2)C1	REAL300003704563	1	47	0.0	-48.95	353.95	8.99	-39.96
CC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)OCCC2=CC=CC=C21	REAL300003704679	0	51	0.0	-47.63	374.19	8.12	-39.51
CC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)OCCC2=CC=CC=C21	REAL300003704679	1	51	0.0	-49.14	380.05	8.10	-41.04
COC1=CC=C2NC3=C(CCN(C(=O)C[N@@H+]4CCCC(C(=O)[O-])C4)C3)C2=C1	REAL300003704874	0	52	0.0	-54.42	394.62	8.93	-45.49
COC1=CC=C2NC3=C(CCN(C(=O)C[N@H+]4CCCC(C(=O)[O-])C4)C3)C2=C1	REAL300003704874	1	52	0.0	-55.93	394.48	8.94	-46.99
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003705943	0	61	0.0	-84.05	435.60	12.99	-71.06
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CC[NH+](C2CC2)CC1	REAL300003707227	0	55	0.0	-77.11	383.76	10.74	-66.37
CC1=[NH+]C=C2CCC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])CN12	REAL300003707253	1	53	0.0	-68.12	376.62	10.22	-57.90
CC1=NC(C[NH+]2CCC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])CC2)=CS1	REAL300003707316	1	60	0.0	-83.40	428.99	10.79	-72.61
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C(C)N1CC[NH+](C)CC1	REAL300003707317	1	56	0.0	-71.58	385.73	7.60	-63.98
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003707388	0	64	0.0	-80.09	469.93	12.73	-67.36
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300003707444	0	46	0.0	-75.62	352.93	11.38	-64.24
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1(C[NH+](C)C)CCCCC1	REAL300003707472	0	60	0.0	-80.06	377.84	10.21	-69.85
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC[N@H+](C)C1CCCCC1	REAL300003707476	0	60	0.0	-75.72	414.52	11.56	-64.16
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC[N@@H+](C)C1CCCCC1	REAL300003707476	1	60	0.0	-75.70	413.93	11.59	-64.11
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003707535	0	54	0.0	-67.75	405.24	10.69	-57.06
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003707550	0	62	0.0	-67.64	409.24	9.94	-57.70
CC1=[NH+]C=CN1CCCC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-]	REAL300003707576	1	52	0.0	-71.81	388.48	10.97	-60.84
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCCC[NH+]1CCOCC1	REAL300003707577	1	58	0.0	-79.38	414.37	9.57	-69.81
CC[N@H+](CC1=CC=C(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])C=C1)C(C)C	REAL300003707578	0	63	0.0	-80.74	435.59	12.58	-68.16
CC[N@@H+](CC1=CC=C(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])C=C1)C(C)C	REAL300003707578	1	63	0.0	-54.84	432.52	12.13	-42.71
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003707602	0	58	0.0	-74.60	418.40	12.32	-62.28
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003707602	1	58	0.0	-75.33	415.97	12.32	-63.01
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003707603	0	59	0.0	-84.07	414.14	11.51	-72.56
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003707631	0	62	0.0	-77.97	399.42	9.27	-68.70
CCC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])[NH+](CC)CC	REAL300003707635	0	56	0.0	-63.10	374.64	10.41	-52.69
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300003707637	0	57	0.0	-70.62	411.81	11.99	-58.63
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300003707637	1	57	0.0	-70.93	411.51	11.95	-58.98
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003707644	0	64	0.0	-79.91	458.14	13.82	-66.09
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003707644	1	64	0.0	-67.58	445.40	13.98	-53.60
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300003707657	0	53	0.0	-62.97	390.17	9.99	-52.98
CCC[NH+](CCC)CCCC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-]	REAL300003707663	0	62	0.0	-74.78	439.89	12.36	-62.42
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1C[N@H+](C)CCO1	REAL300003707665	1	49	0.0	-83.65	347.29	8.17	-75.48
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1C[N@@H+](C)CCO1	REAL300003707665	1	49	0.0	-84.53	350.82	8.21	-76.32
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CN1C=C[NH+]=C1C(C)C	REAL300003707672	1	52	0.0	-65.46	382.57	10.74	-54.72
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003707686	0	58	0.0	-84.28	412.35	11.99	-72.29
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003707691	0	61	0.0	-63.01	435.21	13.37	-49.64
CCN1CCC([NH+]2CCC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])CC2)CC1	REAL300003707696	0	69	0.0	-78.99	461.69	10.66	-68.33
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCCC[NH+](C)C	REAL300003707707	0	53	0.0	-77.57	381.87	10.22	-67.35
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003707716	1	62	0.0	-87.31	444.48	12.48	-74.83
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003707716	1	62	0.0	-83.87	448.18	12.58	-71.29
CC1=C(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003707728	1	52	0.0	-70.56	383.15	9.22	-61.34
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003707731	0	61	0.0	-84.93	430.25	12.71	-72.22
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003707742	1	54	0.0	-79.03	395.55	10.64	-68.39
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300003707743	0	57	0.0	-87.39	410.91	11.75	-75.64
CNC1=[NH+]C(C)=CC=C1C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-]	REAL300003707749	1	50	0.0	-65.00	367.73	8.35	-56.65
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003707750	1	59	0.0	-82.15	424.10	11.75	-70.40
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003707750	1	59	0.0	-73.98	414.17	11.74	-62.24
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C(C)[NH+]1CCSCC1	REAL300003707793	1	52	0.0	-68.87	373.20	9.96	-58.91
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C[N@H+](C)CC(C)(C)C	REAL300003707799	0	56	0.0	-69.24	385.15	10.47	-58.77
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C[N@@H+](C)CC(C)(C)C	REAL300003707799	1	56	0.0	-68.96	383.70	10.32	-58.64
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300003707801	0	57	0.0	-74.18	416.66	12.45	-61.73
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300003707801	1	57	0.0	-74.20	416.07	12.45	-61.75
COCCOCC[N@H+](C)CCC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-]	REAL300003707802	0	61	0.0	-75.31	445.06	8.68	-66.63
COCCOCC[N@@H+](C)CCC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-]	REAL300003707802	1	61	0.0	-76.75	445.12	8.68	-68.07
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC1(O)CCC[N@H+](C)C1	REAL300003707805	0	55	0.0	-74.05	373.56	8.30	-65.75
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300003707805	1	55	0.0	-68.01	378.22	8.14	-59.87
CCCCCC[N@H+](C)CC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-]	REAL300003707816	0	59	0.0	-70.58	417.38	11.69	-58.89
CCCCCC[N@@H+](C)CC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-]	REAL300003707816	1	59	0.0	-72.48	420.65	11.76	-60.72
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300003707830	1	46	0.0	-55.51	344.48	11.64	-43.87
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C[N@H+](C)C1CCSC1	REAL300003707846	0	52	0.0	-74.54	378.25	10.24	-64.30
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C[N@@H+](C)C1CCSC1	REAL300003707846	1	52	0.0	-75.42	376.42	10.24	-65.18
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCN1CC[NH+](C(C)C)CC1	REAL300003707859	0	62	0.0	-74.80	432.86	9.24	-65.56
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC[NH+]1CCN(C(C)C)CC1	REAL300003707859	1	62	0.0	-75.52	429.18	9.02	-66.50
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300003707860	0	65	0.0	-72.49	452.96	9.96	-62.53
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300003707860	1	65	0.0	-76.34	448.69	9.75	-66.59
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCCC2CCC[N@@H+]21	REAL300003707861	0	55	0.0	-66.52	362.51	9.77	-56.75
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCCC2CCC[N@H+]21	REAL300003707861	1	55	0.0	-64.00	377.56	10.43	-53.57
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300003707863	0	54	0.0	-80.34	393.81	8.97	-71.37
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003707867	0	63	0.0	-80.22	449.73	11.39	-68.83
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003707869	0	60	0.0	-78.16	429.96	11.19	-66.97
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003707869	1	60	0.0	-70.61	420.85	11.31	-59.30
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003707874	1	58	0.0	-69.91	403.26	11.95	-57.96
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300003707874	1	58	0.0	-67.43	405.43	12.05	-55.38
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003707894	0	61	0.0	-80.63	442.55	13.28	-67.35
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003707894	1	61	0.0	-79.61	441.12	13.22	-66.39
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300003707907	0	54	0.0	-91.34	394.27	10.16	-81.18
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=NN1CC[NH+](C)C	REAL300003707908	0	54	0.0	-61.83	386.92	9.21	-52.62
CCC1=[NH+]C=CN1C(C)CC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-]	REAL300003707909	1	55	0.0	-67.39	401.32	11.20	-56.19
CC[C@@H]1[C@@H](C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])CC[N@@H+]1C	REAL300003707912	0	54	0.0	-76.27	366.68	9.40	-66.87
CC[C@@H]1[C@@H](C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])CC[N@H+]1C	REAL300003707912	1	54	0.0	-71.43	373.90	9.82	-61.61
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300003707915	1	55	0.0	-63.56	397.37	9.45	-54.11
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300003707915	1	55	0.0	-63.81	397.32	9.59	-54.22
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1C[N@H+](C)CC(C)O1	REAL300003707922	1	52	0.0	-82.50	361.86	8.90	-73.60
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1C[N@@H+](C)CC(C)O1	REAL300003707922	1	52	0.0	-83.15	364.17	8.98	-74.17
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003707926	0	61	0.0	-77.98	441.46	13.02	-64.96
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003707926	1	61	0.0	-69.61	432.43	13.23	-56.38
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C(C)C[NH+]1CCOCC1	REAL300003707931	0	55	0.0	-67.64	380.58	8.37	-59.27
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003707932	0	62	0.0	-79.22	446.63	10.74	-68.48
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C[NH+]1CCC(C)CC1	REAL300003707942	0	54	0.0	-71.19	380.27	10.48	-60.71
CC[N@@H+]1CCOC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])C1	REAL300003707955	1	52	0.0	-81.10	364.31	8.68	-72.42
CC[N@H+]1CCOC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])C1	REAL300003707955	1	52	0.0	-69.65	353.61	8.85	-60.80
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003707987	0	61	0.0	-73.37	418.87	11.81	-61.56
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003707987	1	61	0.0	-75.76	418.77	11.81	-63.95
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCC1CCC[N@@H+]1C	REAL300003707993	0	54	0.0	-72.99	380.78	10.12	-62.87
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCC1CCC[N@H+]1C	REAL300003707993	1	54	0.0	-78.61	384.93	10.56	-68.05
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC2CCCC[N@@H+]21	REAL300003708004	0	55	0.0	-65.41	371.24	10.30	-55.11
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC2CCCC[N@H+]21	REAL300003708004	1	55	0.0	-67.44	366.04	10.02	-57.42
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300003708017	0	63	0.0	-73.92	449.09	10.37	-63.55
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300003708018	0	63	0.0	-79.99	448.74	10.18	-69.81
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300003708018	1	63	0.0	-59.33	451.73	10.82	-48.51
CC[NH+](CC)CCOC1=CC=C(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])C=C1	REAL300003708019	0	64	0.0	-63.89	460.08	12.64	-51.25
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CC[NH+](C(C)C)CC1	REAL300003708027	0	57	0.0	-46.47	375.33	10.41	-36.06
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C12CC[N@H+](C1)CCC2	REAL300003708100	0	52	0.0	-81.20	343.73	8.64	-72.56
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C12CC[N@@H+](C1)CCC2	REAL300003708100	1	52	0.0	-83.79	344.04	8.49	-75.30
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C[NH+]1C(C)CCC1C	REAL300003708140	0	54	0.0	-66.59	368.53	9.76	-56.83
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300003708141	0	54	0.0	-63.62	384.84	10.83	-52.79
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003708142	0	61	0.0	-69.50	422.47	13.07	-56.43
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003708142	1	61	0.0	-69.13	423.04	13.03	-56.10
C#CC[NH+]1CCC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])CC1	REAL300003708194	0	53	0.0	-81.05	384.09	10.73	-70.32
CC[NH+]1CCN(CCC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])CC1	REAL300003708196	0	59	0.0	-77.27	414.37	8.57	-68.70
CCN1CC[NH+](CCC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])CC1	REAL300003708196	1	59	0.0	-75.26	414.13	8.64	-66.62
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCN1C=C[NH+]=C1C(C)C	REAL300003708203	1	55	0.0	-67.42	402.36	11.21	-56.21
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C(C)[NH+]1CCCCCC1	REAL300003708234	0	57	0.0	-43.42	376.17	10.30	-33.12
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300003708268	1	59	0.0	-85.27	428.53	11.50	-73.77
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300003708268	1	59	0.0	-70.11	418.70	11.24	-58.87
CC[NH+](CC)CC1=CC=C(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])O1	REAL300003708309	0	57	0.0	-81.98	397.30	10.55	-71.43
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCCC[NH+]1CCCC1	REAL300003708310	0	57	0.0	-75.95	407.44	11.30	-64.65
CC1=CC=C(N2CCC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])CC2)[NH+]=C1	REAL300003708312	1	60	0.0	-75.31	427.95	10.84	-64.47
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300003708313	1	54	0.0	-73.96	390.84	11.55	-62.41
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300003708313	1	54	0.0	-73.65	392.60	11.52	-62.13
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003708333	1	49	0.0	-78.70	369.35	8.89	-69.81
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=NOC(C[NH+](C)C)=C1	REAL300003708356	1	50	0.0	-79.92	375.09	9.54	-70.38
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300003708360	0	61	0.0	-53.58	428.51	12.83	-40.75
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300003708360	1	61	0.0	-80.73	437.09	12.92	-67.81
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC[N@@H+]1C(C)C	REAL300003708376	0	54	0.0	-66.27	373.36	9.85	-56.42
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC[N@H+]1C(C)C	REAL300003708376	1	54	0.0	-68.60	366.84	9.60	-59.00
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003708383	0	62	0.0	-83.43	460.85	12.58	-70.85
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)COC1CC[NH+](C)CC1	REAL300003708397	0	55	0.0	-81.29	396.89	10.10	-71.19
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003708402	0	58	0.0	-82.34	416.45	11.70	-70.64
CCC[N@@H+]1CCCC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])C1	REAL300003708548	0	57	0.0	-73.33	396.10	10.75	-62.58
CCC[N@H+]1CCCC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])C1	REAL300003708548	1	57	0.0	-74.36	398.19	10.78	-63.58
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C[NH+]1CCC(CO)CC1	REAL300003708576	0	55	0.0	-71.70	391.10	7.17	-64.53
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC[N@@H+](C(C)C)C1	REAL300003708759	0	57	0.0	-71.49	391.27	10.65	-60.84
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC[N@H+](C(C)C)C1	REAL300003708759	1	57	0.0	-63.81	381.63	11.07	-52.74
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300003708760	0	51	0.0	-82.13	356.44	9.08	-73.05
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300003708760	1	51	0.0	-89.54	365.21	9.74	-79.80
CC1=C(C)[NH+]=C(CCC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])N1	REAL300003708782	1	52	0.0	-68.15	385.76	9.26	-58.89
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300003709174	0	57	0.0	-78.64	408.99	11.75	-66.89
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300003709182	0	58	0.0	-59.92	423.54	11.31	-48.61
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003709274	0	64	0.0	-72.50	457.22	14.00	-58.50
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300003709276	1	62	0.0	-60.52	441.01	11.69	-48.83
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300003709276	1	62	0.0	-87.27	436.41	11.08	-76.19
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1	REAL300003709307	0	57	0.0	-66.32	382.16	10.26	-56.06
CC1=[NH+]C=C2C=CC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])=CN21	REAL300003709311	0	49	0.0	-71.01	374.42	11.15	-59.86
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC[N@H+](CC(C)C)C1	REAL300003709361	0	60	0.0	-74.15	411.55	11.63	-62.52
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCC[N@@H+](CC(C)C)C1	REAL300003709361	1	60	0.0	-65.47	400.85	11.85	-53.62
CC[N@@H+]1CCCC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])C1	REAL300003709362	0	54	0.0	-72.86	374.00	10.01	-62.85
CC[N@H+]1CCCC(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])C1	REAL300003709362	1	54	0.0	-64.27	369.72	10.48	-53.79
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300003709368	1	51	0.0	-84.20	374.23	9.84	-74.36
CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003709375	0	53	0.0	-70.50	357.29	9.78	-60.72
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CC[N@H+](CC1=CC=C(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C=C1)C(C)C	REAL300003712927	0	55	0.0	-74.02	416.30	12.03	-61.99
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C=C1)C(C)C	REAL300003712927	1	55	0.0	-74.50	410.84	11.73	-62.77
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O=C([O-])CCC1=CC=CC(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300003712952	1	50	0.0	-72.57	397.75	11.54	-61.03
O=C([O-])CCC1=CC=CC(NC(=O)C2CC[NH+](C3CCSC3)CC2)=C1	REAL300003712953	0	51	0.0	-79.42	391.37	10.61	-68.81
C[NH+]1CCN(C(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C2=CC=CC=C2)CC1	REAL300003712981	1	55	0.0	-69.50	426.75	10.37	-59.13
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CCC(C(=O)NC1=CC=CC(CCC(=O)[O-])=C1)[NH+](CC)CC	REAL300003712986	0	48	0.0	-64.01	357.44	9.49	-54.52
CC(C(=O)NC1=CC=CC(CCC(=O)[O-])=C1)[N@H+](C)CC1=CC=CC=C1	REAL300003712988	0	49	0.0	-71.32	387.36	11.06	-60.26
CC(C(=O)NC1=CC=CC(CCC(=O)[O-])=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003712988	1	49	0.0	-74.92	386.76	11.11	-63.81
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CCC[NH+](CCC)CCCC(=O)NC1=CC=CC(CCC(=O)[O-])=C1	REAL300003713036	0	54	0.0	-72.20	415.28	11.26	-60.94
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CC[N@H+](C)C(C(=O)NC1=CC=CC(CCC(=O)[O-])=C1)C1=CC=CC=C1	REAL300003713038	1	49	0.0	-66.23	385.39	11.18	-55.05
CC[N@@H+](C)C(C(=O)NC1=CC=CC(CCC(=O)[O-])=C1)C1=CC=CC=C1	REAL300003713038	1	49	0.0	-70.61	385.18	11.20	-59.41
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CC1C[NH+](CC2=CC=C(C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)C=C2)CC(C)O1	REAL300003713088	1	57	0.0	-80.40	445.94	11.42	-68.98
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O=C([O-])CCC1=CC=CC(NC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)=C1	REAL300003714350	1	53	0.0	-71.81	417.70	12.28	-59.53
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C1	REAL300003714448	0	49	0.0	-68.96	371.62	9.84	-59.12
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C1	REAL300003714448	1	49	0.0	-66.31	365.50	10.08	-56.23
C[N@@H+]1CC(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300003714449	0	43	0.0	-80.31	347.10	8.71	-71.60
C[N@H+]1CC(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C(C(F)(F)F)C1	REAL300003714449	1	43	0.0	-78.96	348.63	8.85	-70.11
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=CC(CCC(=O)[O-])=C2)N1	REAL300003714474	1	44	0.0	-66.75	363.18	8.35	-58.40
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)=C1	REAL300003714978	0	49	0.0	-75.83	393.60	11.37	-64.46
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C=C1	REAL300003714986	0	50	0.0	-76.95	400.90	10.33	-66.62
O=C([O-])CCC1=CC=CC(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300003715087	0	56	0.0	-74.00	432.65	13.00	-61.00
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)C=C2)CCO1	REAL300003715089	1	54	0.0	-79.44	418.17	10.73	-68.71
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=CC(CCC(=O)[O-])=C3)C=C2)CCO1	REAL300003715089	1	54	0.0	-79.57	418.21	10.73	-68.84
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)CC1	REAL300003715136	0	49	0.0	-63.90	365.17	9.76	-54.14
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C1	REAL300003715203	0	52	0.0	-65.89	387.64	10.94	-54.95
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C1	REAL300003715203	1	52	0.0	-65.89	387.64	10.94	-54.95
CC[N@@H+]1CCCC(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C1	REAL300003715204	0	46	0.0	-65.04	348.86	9.56	-55.48
CC[N@H+]1CCCC(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C1	REAL300003715204	1	46	0.0	-65.04	348.86	9.56	-55.48
CN(C)CC1=CC=C(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)O1	REAL300003715210	0	43	0.0	-76.09	356.43	8.78	-67.31
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)O1	REAL300003715210	1	43	0.0	-76.09	356.43	8.78	-67.31
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C1	REAL300003715216	0	52	0.0	-73.61	382.69	10.20	-63.41
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(CCC(=O)[O-])=C2)C1	REAL300003715216	1	52	0.0	-73.61	382.69	10.20	-63.41
O=C([O-])CCC1=CC=CC(NC(=O)C23CC(C2)CN3C2CC2)=C1	REAL300003715219	0	45	0.0	-66.73	349.72	9.70	-57.03
O=C([O-])CCC1=CC=CC(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300003715219	1	45	0.0	-68.60	349.96	10.20	-58.40
O=C([O-])CCC1=CC=CC(NC(=O)C23CC(C2)C[N@H+]3C2CC2)=C1	REAL300003715219	1	45	0.0	-68.60	349.96	10.20	-58.40
CCSC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003715300	0	47	0.0	-46.64	370.27	8.82	-37.82
CC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1C1=CC=CC=C1	REAL300003715427	0	53	0.0	-44.61	371.86	10.60	-34.01
CC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1C1=CC=CC=C1	REAL300003715427	1	53	0.0	-44.61	371.86	10.60	-34.01
CC1(C2=CC=CC=C2)CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003715560	0	50	0.0	-47.89	368.03	11.00	-36.89
CC1(C2=CC=CC=C2)CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003715560	1	50	0.0	-47.89	368.03	11.00	-36.89
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003716407	0	56	0.0	-76.80	425.50	12.59	-64.21
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300003717523	0	50	0.0	-70.10	373.81	10.23	-59.87
CC1=[NH+]C=C2CCC(C(=O)NC(C)(CC3=CC=C(F)C=C3)C(=O)[O-])CN12	REAL300003717547	1	48	0.0	-60.67	372.03	10.10	-50.57
CC(C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300003717611	1	51	0.0	-67.98	377.66	7.13	-60.85
C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003717641	0	46	0.0	-50.92	345.55	8.90	-42.02
C[N@H+]1CCCC[C@H]1C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003717641	1	46	0.0	-54.59	337.07	8.59	-46.00
C[NH+]1CCC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003717705	0	46	0.0	-70.25	349.02	9.02	-61.23
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)[O-]	REAL300003717732	0	41	0.0	-68.58	334.55	10.88	-57.70
C[NH+](C)CC1(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CCCCC1	REAL300003717761	0	55	0.0	-73.48	380.79	11.53	-61.95
C[N@H+](CCC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1CCCCC1	REAL300003717765	0	55	0.0	-63.90	402.81	10.94	-52.96
C[N@@H+](CCC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1CCCCC1	REAL300003717765	1	55	0.0	-64.66	402.80	10.95	-53.71
C[N@@H+]1CCCC1C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003717778	0	43	0.0	-56.56	330.03	8.31	-48.25
C[N@H+]1CCCC1C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003717778	1	43	0.0	-57.48	330.69	8.42	-49.06
C[NH+]1CCC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003717824	0	46	0.0	-70.25	349.02	9.02	-61.23
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300003717827	0	49	0.0	-78.54	393.56	10.00	-68.54
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300003717838	0	57	0.0	-68.33	409.60	9.41	-58.92
CC1=[NH+]C=CN1CCCC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003717869	1	47	0.0	-65.78	375.37	10.27	-55.51
CC(CC1=CC=C(F)C=C1)(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300003717870	1	53	0.0	-72.64	402.67	8.95	-63.69
C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003717874	0	43	0.0	-51.80	320.35	7.71	-44.09
C[N@H+]1CCC[C@@H]1C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003717874	1	43	0.0	-55.50	330.67	8.43	-47.07
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003717907	0	53	0.0	-64.78	407.60	11.74	-53.04
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003717907	1	53	0.0	-63.23	409.41	11.83	-51.40
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300003717908	0	54	0.0	-76.45	404.18	11.00	-65.45
CC(CC1=CC=C(F)C=C1)(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300003717931	0	57	0.0	-65.03	401.14	8.99	-56.04
CCC(C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+](CC)CC	REAL300003717935	0	51	0.0	-50.09	370.66	9.55	-40.54
CC(C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003717937	0	52	0.0	-60.94	399.39	11.32	-49.62
CC(C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003717937	1	52	0.0	-55.17	397.76	11.26	-43.91
C[NH+](C)CC1=CC=C(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300003717956	0	48	0.0	-78.42	378.29	9.39	-69.03
CCC[NH+](CCC)CCCC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003717959	0	57	0.0	-66.23	422.48	11.29	-54.94
CC(C)C1=[NH+]C=CN1CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003717968	1	47	0.0	-53.41	367.23	9.98	-43.43
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300003717983	0	53	0.0	-82.13	407.35	12.02	-70.11
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300003717988	0	56	0.0	-71.10	424.11	12.72	-58.38
C[NH+](C)CC1(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003717991	0	46	0.0	-55.20	355.75	9.19	-46.01
C[NH+](C)CCCCC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003717998	0	48	0.0	-71.67	369.77	9.50	-62.17
CC1=C(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003718017	1	47	0.0	-78.53	380.16	9.20	-69.33
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300003718020	0	56	0.0	-81.06	423.81	12.68	-68.38
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300003718030	1	49	0.0	-75.83	387.80	9.49	-66.34
C[NH+](C)CCC1=CC=C(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300003718031	0	52	0.0	-86.00	405.04	11.72	-74.28
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718036	1	45	0.0	-56.97	353.69	8.35	-48.62
CCC[N@H+](C)CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718043	0	45	0.0	-56.91	343.64	8.70	-48.21
CCC[N@@H+](C)CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718043	1	45	0.0	-57.18	343.63	8.70	-48.48
C[N@H+](CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1CCC1	REAL300003718057	0	46	0.0	-54.16	350.64	9.27	-44.89
C[N@@H+](CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1CCC1	REAL300003718057	1	46	0.0	-55.45	350.53	9.26	-46.19
CC(C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCSCC1	REAL300003718078	1	47	0.0	-58.11	359.78	9.14	-48.97
C[N@H+](CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])CC(C)(C)C	REAL300003718082	0	51	0.0	-56.41	372.25	9.71	-46.70
C[N@@H+](CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])CC(C)(C)C	REAL300003718082	1	51	0.0	-57.02	374.19	9.83	-47.19
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718084	0	52	0.0	-59.43	403.54	11.73	-47.70
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718084	1	52	0.0	-59.24	403.55	11.73	-47.51
COCCOCC[N@H+](C)CCC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718085	0	56	0.0	-63.35	432.53	7.98	-55.37
COCCOCC[N@@H+](C)CCC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718085	1	56	0.0	-66.62	432.58	7.99	-58.63
CC[C@@H](C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+](C)C	REAL300003718088	0	45	0.0	-51.70	335.06	8.19	-43.51
C[N@@H+]1CCCC(O)(CC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003718090	0	50	0.0	-64.82	371.84	7.36	-57.46
C[N@H+]1CCCC(O)(CC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003718090	1	50	0.0	-65.30	362.13	7.19	-58.11
CCCCCC[N@H+](C)CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718102	0	54	0.0	-57.87	408.13	11.04	-46.83
CCCCCC[N@@H+](C)CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718102	1	54	0.0	-58.04	408.13	11.05	-46.99
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300003718116	1	41	0.0	-76.42	334.83	10.90	-65.52
C[N@H+](CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1CCSC1	REAL300003718125	0	47	0.0	-59.89	365.13	9.51	-50.38
C[N@@H+](CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1CCSC1	REAL300003718125	1	47	0.0	-62.88	363.77	9.51	-53.37
CC(C)[NH+]1CCN(CCC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003718140	0	57	0.0	-68.51	419.76	8.54	-59.97
CC(C)N1CC[NH+](CCC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003718140	1	57	0.0	-62.84	416.06	8.33	-54.51
CC(C)[NH+]1CCN(CCCC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003718141	0	60	0.0	-69.98	436.14	8.97	-61.01
CC(C)N1CC[NH+](CCCC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003718141	1	60	0.0	-67.14	437.57	9.13	-58.01
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300003718142	0	50	0.0	-51.21	368.86	10.14	-41.07
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300003718142	1	50	0.0	-51.10	369.09	10.13	-40.97
C[NH+](C)CCN1C=C(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300003718144	0	49	0.0	-77.69	388.71	8.89	-68.80
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003718149	0	55	0.0	-60.73	411.38	10.82	-49.91
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003718149	1	55	0.0	-64.40	420.38	10.69	-53.71
CC(C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003718154	1	53	0.0	-59.15	402.76	11.72	-47.43
CC(C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003718154	1	53	0.0	-58.13	399.44	11.85	-46.28
CC(CC1=CC=C(F)C=C1)(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003718169	0	56	0.0	-71.60	429.39	12.55	-59.05
CC(CC1=CC=C(F)C=C1)(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003718169	1	56	0.0	-70.86	427.34	12.49	-58.37
C[NH+](C)CCN1C=CC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300003718182	0	49	0.0	-87.25	389.08	8.91	-78.34
C[NH+](C)CCN1N=CC=C1C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718183	0	49	0.0	-51.62	384.11	8.74	-42.88
C[C@@H]1[C@H](C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300003718185	0	46	0.0	-69.11	341.94	8.53	-60.58
C[C@@H]1[C@H](C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300003718185	1	46	0.0	-63.31	342.01	8.46	-54.85
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718186	1	50	0.0	-59.69	390.34	10.49	-49.20
CC[C@@H]1[C@@H](C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300003718189	0	49	0.0	-68.38	361.65	8.99	-59.39
CC[C@@H]1[C@@H](C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300003718189	1	49	0.0	-59.69	365.00	9.59	-50.10
CC1C[N@H+](C)CC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300003718196	1	47	0.0	-80.23	356.23	8.16	-72.07
CC1C[N@@H+](C)CC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300003718196	1	47	0.0	-72.04	356.24	8.16	-63.88
CC(CC1=CC=C(F)C=C1)(NC(=O)C[NH+]1CCCC1)C(=O)[O-]	REAL300003718203	0	43	0.0	-55.99	328.36	8.31	-47.68
CC1=[NH+]C=CN1CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718205	1	41	0.0	-54.89	333.84	9.00	-45.89
CC(C[NH+]1CCOCC1)C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718207	1	50	0.0	-64.10	375.72	8.08	-56.02
CC1CC[NH+](CC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003718226	0	49	0.0	-57.76	367.36	9.79	-47.97
CC[N@@H+]1CCOC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003718237	1	47	0.0	-70.98	352.48	7.88	-63.10
CC[N@H+]1CCOC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003718237	1	47	0.0	-77.80	359.59	8.10	-69.70
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003718266	0	56	0.0	-59.49	409.89	11.25	-48.24
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003718266	1	56	0.0	-61.51	409.04	11.22	-50.29
C[N@@H+]1CCCC1CCC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718272	0	49	0.0	-70.69	371.74	9.86	-60.83
C[N@H+]1CCCC1CCC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718272	1	49	0.0	-66.48	366.36	9.38	-57.10
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300003718283	0	50	0.0	-53.50	372.23	10.33	-43.17
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300003718283	1	50	0.0	-53.42	372.20	10.29	-43.13
CC[NH+](CC)CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718303	0	45	0.0	-55.31	335.99	8.37	-46.94
CC(C)[NH+]1CCC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003718305	0	52	0.0	-70.04	379.66	9.97	-60.07
CC(CC1=CC=C(F)C=C1)(NC(=O)C12CC[NH+](CC1)C2)C(=O)[O-]	REAL300003718372	0	44	0.0	-68.70	336.03	7.90	-60.80
CCC(C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+](C)C	REAL300003718375	0	45	0.0	-57.58	334.80	8.20	-49.38
CC(CC1=CC=C(F)C=C1)(NC(=O)C12CC[N@H+](C1)CCC2)C(=O)[O-]	REAL300003718382	0	47	0.0	-68.60	345.99	8.58	-60.02
CC(CC1=CC=C(F)C=C1)(NC(=O)C12CC[N@@H+](C1)CCC2)C(=O)[O-]	REAL300003718382	1	47	0.0	-68.67	346.53	8.52	-60.15
CC1CCC(C)[NH+]1CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718417	0	49	0.0	-51.87	357.53	9.07	-42.80
C[NH+](C)CC1=CC=CC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300003718418	0	49	0.0	-74.61	382.55	10.87	-63.74
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003718419	0	56	0.0	-63.00	425.52	12.55	-50.45
CC(CC1=CC=C(F)C=C1)(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003718419	1	56	0.0	-61.74	425.51	12.55	-49.19
C#CC[NH+]1CCC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003718467	0	48	0.0	-72.72	374.18	10.22	-62.50
CC[NH+]1CCN(CCC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003718469	0	54	0.0	-73.14	401.85	7.86	-65.28
CCN1CC[NH+](CCC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003718469	1	54	0.0	-63.63	403.02	8.01	-55.62
CC(C)[N@H+](C)CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718470	0	45	0.0	-54.24	338.83	8.48	-45.76
CC(C)[N@@H+](C)CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718470	1	45	0.0	-54.23	338.82	8.48	-45.75
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718475	1	50	0.0	-59.16	389.84	10.52	-48.64
CC[N@H+](CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1CC1	REAL300003718482	0	46	0.0	-53.44	349.65	9.09	-44.35
CC[N@@H+](CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])C1CC1	REAL300003718482	1	46	0.0	-55.04	350.77	9.26	-45.78
CC(C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300003718506	0	52	0.0	-57.42	368.89	9.88	-47.54
C[N@@H+]1CCC[C@H]1C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718509	0	43	0.0	-54.56	330.07	8.30	-46.26
C[N@H+]1CCC[C@H]1C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718509	1	43	0.0	-62.64	324.33	7.82	-54.82
CC(C)(C)[NH2+]CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718576	0	45	0.0	-55.49	343.36	7.08	-48.41
CC[NH+](CC)CC1=CC=C(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300003718578	0	52	0.0	-76.21	404.25	10.58	-65.63
CC(CC1=CC=C(F)C=C1)(NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300003718579	0	52	0.0	-69.62	395.73	10.68	-58.94
CC1=CC=C(N2CCC(C(=O)NC(C)(CC3=CC=C(F)C=C3)C(=O)[O-])CC2)[NH+]=C1	REAL300003718581	1	55	0.0	-70.61	418.44	10.43	-60.18
C[N@H+](CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300003718582	1	49	0.0	-60.07	381.06	10.88	-49.19
C[N@@H+](CC(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300003718582	1	49	0.0	-60.66	381.07	10.88	-49.78
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003718606	1	44	0.0	-76.57	363.69	8.83	-67.74
C[NH+](C)CC1=CC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=NO1	REAL300003718627	1	45	0.0	-77.99	362.50	8.37	-69.62
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718631	0	56	0.0	-67.24	429.14	12.39	-54.85
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718631	1	56	0.0	-64.40	419.39	12.11	-52.29
CC(C)[N@@H+]1CCCC1C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718643	0	49	0.0	-54.23	362.72	9.36	-44.87
CC(C)[N@H+]1CCCC1C(=O)NC(C)(CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003718643	1	49	0.0	-62.06	353.11	9.67	-52.39
C[NH+]1CCC(OCC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003718660	0	50	0.0	-77.77	384.35	9.09	-68.68
CC(CC1=CC=C(F)C=C1)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300003718664	0	53	0.0	-77.71	410.53	11.09	-66.62
CCC[N@@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003718806	0	52	0.0	-55.64	381.88	10.51	-45.13
CCC[N@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003718806	1	52	0.0	-55.64	381.89	10.51	-45.13
CC(CC1=CC=C(F)C=C1)(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300003718830	1	50	0.0	-58.17	378.19	6.48	-51.69
CC(C)[N@@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003718999	0	52	0.0	-62.93	383.29	10.16	-52.77
CC(C)[N@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003718999	1	52	0.0	-49.40	374.22	10.19	-39.21
C[N@@H+]1CC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003719000	0	46	0.0	-67.39	350.29	8.88	-58.51
C[N@H+]1CC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003719000	1	46	0.0	-64.62	355.79	8.89	-55.73
CC1=C(C)[NH+]=C(CCC(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])N1	REAL300003719023	1	47	0.0	-59.43	374.63	8.65	-50.78
C[NH+](C)CCC1=CC=CC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300003719404	0	52	0.0	-77.27	405.04	11.71	-65.56
C[NH+](C)CCOC1=CC=C(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300003719411	0	53	0.0	-83.36	412.34	10.67	-72.69
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003719525	0	46	0.0	-63.14	354.10	9.10	-54.04
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003719529	0	52	0.0	-68.82	376.69	9.96	-58.86
CC1=[NH+]C=C2C=CC(C(=O)NC(C)(CC3=CC=C(F)C=C3)C(=O)[O-])=CN12	REAL300003719533	0	44	0.0	-65.25	355.94	10.65	-54.60
CC(C)C[N@@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003719582	0	55	0.0	-56.34	399.35	11.21	-45.13
CC(C)C[N@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003719582	1	55	0.0	-49.84	393.79	11.02	-38.82
CC[N@@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003719583	0	49	0.0	-63.90	366.63	9.64	-54.26
CC[N@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003719583	1	49	0.0	-63.93	366.66	9.64	-54.29
C[N@@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003719588	0	46	0.0	-55.97	342.74	9.11	-46.86
C[N@H+]1CCCC(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003719588	1	46	0.0	-64.12	348.97	8.97	-55.15
C[NH+](C)CC1=CC=C(C(=O)NC(C)(CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300003719590	1	46	0.0	-79.60	367.87	9.12	-70.48
CC(CC1=CC=C(F)C=C1)(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300003719598	0	48	0.0	-65.55	362.67	10.05	-55.50
CC(CC1=CC=C(F)C=C1)(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300003719598	1	48	0.0	-60.82	355.74	10.39	-50.43
CCC1(CCC2=CC=CC=C2)CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003719739	0	59	0.0	-47.27	426.32	13.48	-33.79
CCC1(CCC2=CC=CC=C2)CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003719739	1	59	0.0	-47.07	427.84	13.63	-33.44
COC1COCCC1N(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003719834	0	48	0.0	-45.95	342.74	5.76	-40.19
COC1COCCC1N(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003719834	1	48	0.0	-46.68	337.24	5.79	-40.89
CC1(C)CCC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)OC1	REAL300003719905	0	50	0.0	-47.19	362.56	6.59	-40.60
CC1(C)CCC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)OC1	REAL300003719905	1	50	0.0	-47.16	368.45	6.68	-40.48
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003721017	0	47	0.0	-76.11	366.49	10.44	-65.67
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300003722335	0	41	0.0	-70.34	316.17	8.00	-62.34
CC1=[NH+]C=C2CCC(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])CN12	REAL300003722354	1	39	0.0	-61.43	317.65	8.34	-53.09
CC1=NC(C[NH+]2CCC(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])CC2)=CS1	REAL300003722413	1	46	0.0	-76.59	374.80	8.06	-68.53
CC(C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])N1CC[NH+](C)CC1	REAL300003722414	1	42	0.0	-68.18	319.41	5.01	-63.17
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300003722484	0	50	0.0	-77.21	403.83	10.28	-66.93
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300003722490	0	50	0.0	-56.50	401.92	12.01	-44.49
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300003722490	1	50	0.0	-57.05	401.92	12.01	-45.04
C[NH+](C)CC1(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CCCCC1	REAL300003722560	0	46	0.0	-59.27	315.22	8.31	-50.96
C[N@H+](CCC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300003722562	0	46	0.0	-67.92	349.53	9.05	-58.87
C[N@@H+](CCC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300003722562	1	46	0.0	-67.40	349.52	9.02	-58.38
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003722627	0	40	0.0	-78.03	335.71	7.81	-70.22
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003722645	0	48	0.0	-56.04	350.66	7.20	-48.84
CC1=[NH+]C=CN1CCCC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300003722671	1	38	0.0	-65.73	320.78	8.43	-57.30
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CCCC[NH+]1CCOCC1	REAL300003722672	1	44	0.0	-74.14	348.01	7.12	-67.02
CC[N@H+](CC1=CC=C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003722673	0	49	0.0	-79.33	369.87	10.23	-69.10
CC[N@@H+](CC1=CC=C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003722673	1	49	0.0	-78.02	363.46	9.98	-68.04
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003722691	0	44	0.0	-66.30	350.57	9.75	-56.55
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003722691	1	44	0.0	-66.20	350.77	9.82	-56.38
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003722692	0	45	0.0	-78.68	349.27	9.10	-69.58
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003722720	0	48	0.0	-67.25	346.54	7.38	-59.87
CC(C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003722723	0	43	0.0	-61.98	343.28	9.46	-52.52
CC(C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003722723	1	43	0.0	-62.09	343.28	9.49	-52.60
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003722731	0	50	0.0	-72.07	390.43	11.18	-60.89
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003722731	1	50	0.0	-69.98	392.02	11.66	-58.32
C[NH+](C)CC1=CC=C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=N1	REAL300003722748	0	39	0.0	-76.44	319.65	6.85	-69.59
CCC[NH+](CCC)CCCC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300003722755	0	48	0.0	-68.33	372.33	9.74	-58.59
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300003722762	1	38	0.0	-58.21	316.74	8.14	-50.07
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003722775	0	44	0.0	-82.77	348.31	9.87	-72.90
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003722780	0	47	0.0	-75.16	365.48	10.62	-64.54
CCN1CCC([NH+]2CCC(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])CC2)CC1	REAL300003722786	0	55	0.0	-71.49	397.58	7.85	-63.64
CC1C[NH+](CC2=CC=C(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300003722793	1	51	0.0	-85.67	399.25	9.73	-75.94
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003722803	1	48	0.0	-79.25	377.31	10.09	-69.16
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003722803	1	48	0.0	-80.40	377.34	10.08	-70.32
CC1=C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003722817	1	38	0.0	-79.67	321.23	7.20	-72.47
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003722820	0	47	0.0	-81.74	365.47	10.63	-71.11
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003722831	1	40	0.0	-74.65	330.41	8.32	-66.33
C[NH+](C)CCC1=CC=C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300003722832	0	43	0.0	-85.96	346.40	9.62	-76.34
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003722837	1	45	0.0	-72.69	359.31	9.36	-63.33
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003722837	1	45	0.0	-77.25	360.34	9.26	-67.99
CC(C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003722846	0	53	0.0	-55.35	406.49	11.76	-43.59
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300003722878	0	43	0.0	-62.25	348.87	9.92	-52.33
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300003722878	1	43	0.0	-62.21	348.91	9.92	-52.29
COCCOCC[N@H+](C)CCC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300003722879	0	47	0.0	-66.68	377.90	6.16	-60.52
COCCOCC[N@@H+](C)CCC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300003722879	1	47	0.0	-67.01	377.96	6.15	-60.86
C[N@@H+]1CCCC(O)(CC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300003722882	0	41	0.0	-68.05	318.56	5.90	-62.15
C[N@H+]1CCCC(O)(CC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300003722882	1	41	0.0	-57.01	320.36	5.89	-51.12
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003722887	0	52	0.0	-73.12	404.07	9.67	-63.45
CCCCCC[N@H+](C)CC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300003722889	0	45	0.0	-61.86	354.81	9.16	-52.70
CCCCCC[N@@H+](C)CC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300003722889	1	45	0.0	-60.76	353.46	9.23	-51.53
C[N@H+](CC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CCSC1	REAL300003722913	0	38	0.0	-61.43	309.02	7.75	-53.68
C[N@@H+](CC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])C1CCSC1	REAL300003722913	1	38	0.0	-63.08	309.00	7.74	-55.34
CC(C)[NH+]1CCN(CCC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300003722923	0	48	0.0	-69.62	361.16	6.48	-63.14
CC(C)N1CC[NH+](CCC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300003722923	1	48	0.0	-65.50	361.94	6.54	-58.96
CC(C)[NH+]1CCN(CCCC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300003722924	0	51	0.0	-71.79	383.95	7.18	-64.61
CC(C)N1CC[NH+](CCCC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300003722924	1	51	0.0	-69.04	383.10	7.30	-61.74
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300003722925	0	41	0.0	-52.09	316.07	8.08	-44.01
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CCCC2CCC[N@H+]21	REAL300003722925	1	41	0.0	-53.66	310.07	8.04	-45.62
C[NH+](C)CCN1C=C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=N1	REAL300003722927	0	40	0.0	-78.63	328.60	6.70	-71.93
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])CC2)=C1	REAL300003722930	0	52	0.0	-69.85	404.01	9.52	-60.33
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003722932	0	49	0.0	-69.40	382.57	8.87	-60.53
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003722935	0	46	0.0	-67.52	356.44	8.63	-58.89
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003722935	1	46	0.0	-66.94	364.36	8.93	-58.01
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003722961	0	47	0.0	-74.20	376.02	10.68	-63.52
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003722961	1	47	0.0	-73.46	376.06	10.77	-62.69
C[NH+](C)CCN1C=CC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=N1	REAL300003722973	0	40	0.0	-85.45	330.57	7.68	-77.77
C[NH+](C)CCN1N=CC=C1C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300003722974	0	40	0.0	-54.83	324.16	6.49	-48.34
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300003722975	1	41	0.0	-61.76	337.05	8.66	-53.10
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=NN1	REAL300003722978	1	41	0.0	-77.64	331.72	7.21	-70.43
C[N@H+]1CCCC1C1=CC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=NN1	REAL300003722978	1	41	0.0	-78.50	332.13	7.20	-71.30
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003722987	0	47	0.0	-65.45	369.14	10.75	-54.70
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003722987	1	47	0.0	-65.68	378.86	10.55	-55.13
CC(C[NH+]1CCOCC1)C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300003722991	1	41	0.0	-67.85	318.02	5.85	-62.00
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003722992	0	48	0.0	-69.93	379.79	8.24	-61.69
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003723030	0	47	0.0	-67.31	353.94	9.56	-57.75
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003723030	1	47	0.0	-65.13	350.68	9.27	-55.86
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300003723046	0	41	0.0	-54.95	312.33	8.21	-46.74
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CCC2CCCC[N@H+]21	REAL300003723046	1	41	0.0	-56.74	315.14	8.29	-48.45
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=C2)CC1	REAL300003723060	0	49	0.0	-61.73	377.94	7.74	-53.99
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003723061	0	49	0.0	-78.70	382.52	8.20	-70.50
CN1CC[NH+](CC2=CC=C(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003723061	1	49	0.0	-83.97	381.66	8.01	-75.96
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300003723062	0	50	0.0	-79.06	389.12	9.53	-69.53
CC(C)[NH+]1CCC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300003723068	0	43	0.0	-70.99	325.64	7.99	-63.00
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003723151	0	51	0.0	-85.85	396.81	7.88	-77.97
C[NH+](C)CC1=CC=CC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300003723155	0	40	0.0	-51.06	325.20	8.42	-42.64
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003723156	0	47	0.0	-60.66	361.48	10.39	-50.27
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003723156	1	47	0.0	-60.98	360.98	10.48	-50.50
C#CC[NH+]1CCC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300003723200	0	39	0.0	-74.58	315.94	7.94	-66.64
CC[NH+]1CCN(CCC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300003723203	0	45	0.0	-71.28	348.37	6.20	-65.08
CCN1CC[NH+](CCC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300003723203	1	45	0.0	-65.60	348.38	6.18	-59.42
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300003723210	1	41	0.0	-60.21	335.24	8.67	-51.54
CC(C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])[NH+]1CCCCCC1	REAL300003723236	0	43	0.0	-53.73	317.40	7.65	-46.08
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=CC=C1N2	REAL300003723264	1	45	0.0	-85.54	359.70	9.19	-76.35
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=CC=C1N2	REAL300003723264	1	45	0.0	-67.05	353.97	8.72	-58.33
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])O1	REAL300003723304	0	43	0.0	-75.47	341.73	8.89	-66.58
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CCCC[NH+]1CCCC1	REAL300003723305	0	43	0.0	-71.07	341.11	8.85	-62.22
CC1=CC=C(N2CCC(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300003723306	1	46	0.0	-71.01	359.14	8.14	-62.87
C[N@H+](CC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300003723307	1	40	0.0	-63.08	326.43	9.08	-54.00
C[N@@H+](CC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-])CC1=CC=CC=C1	REAL300003723307	1	40	0.0	-63.38	326.36	9.08	-54.30
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003723310	0	52	0.0	-83.18	388.01	8.91	-74.27
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003723320	1	35	0.0	-76.54	304.33	6.42	-70.12
C[NH+](C)CC1=CC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=NO1	REAL300003723342	1	36	0.0	-76.04	304.01	7.12	-68.92
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300003723348	0	47	0.0	-67.09	365.27	10.38	-56.71
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC(F)(F)C[C@H]1C(=O)[O-]	REAL300003723348	1	47	0.0	-66.35	365.43	10.46	-55.89
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300003723366	0	48	0.0	-81.71	390.43	10.38	-71.33
C[NH+]1CCC(OCC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300003723377	0	41	0.0	-78.19	329.72	7.70	-70.49
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003723381	0	44	0.0	-76.37	350.99	9.57	-66.80
CCC[N@@H+]1CCCC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300003723514	0	43	0.0	-65.01	333.37	8.68	-56.33
CCC[N@H+]1CCCC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300003723514	1	43	0.0	-57.69	322.70	8.47	-49.22
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C[NH+]1CCC(CO)CC1	REAL300003723542	1	41	0.0	-62.46	323.17	4.66	-57.80
CC(C)[N@@H+]1CCCC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300003723707	0	43	0.0	-53.77	316.34	8.10	-45.67
CC(C)[N@H+]1CCCC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300003723707	1	43	0.0	-56.26	318.71	8.55	-47.71
C[N@@H+]1CC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300003723708	0	37	0.0	-61.27	309.75	7.07	-54.20
C[N@H+]1CC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300003723708	1	37	0.0	-61.36	303.35	6.75	-54.61
CC1=C(C)[NH+]=C(CCC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])N1	REAL300003723732	1	38	0.0	-61.69	321.30	6.73	-54.96
C[NH+](C)CCC1=CC=CC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])=C1	REAL300003724081	0	43	0.0	-78.80	346.39	9.60	-69.20
C[NH+](C)CCOC1=CC=C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C=C1	REAL300003724086	0	44	0.0	-81.64	353.73	8.56	-73.08
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003724168	0	50	0.0	-71.19	389.46	11.45	-59.74
CC1C[N@H+](CC2=CC=C(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)CCO1	REAL300003724170	1	48	0.0	-83.43	380.04	8.71	-74.72
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])C=C2)CCO1	REAL300003724170	1	48	0.0	-59.11	366.67	8.49	-50.62
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1	REAL300003724194	0	43	0.0	-55.05	315.30	7.80	-47.25
CC1=[NH+]C=C2C=CC(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])=CN12	REAL300003724199	0	35	0.0	-65.23	305.85	8.92	-56.31
CC(C)C[N@@H+]1CCCC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300003724242	0	46	0.0	-57.04	341.09	8.99	-48.05
CC(C)C[N@H+]1CCCC(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])C1	REAL300003724242	1	46	0.0	-66.64	346.85	8.93	-57.71
C[NH+](C)CC1=CC=C(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])O1	REAL300003724247	1	37	0.0	-77.63	309.43	7.68	-69.95
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003724254	1	39	0.0	-63.28	310.27	8.39	-54.89
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300003724254	1	39	0.0	-61.66	292.76	8.57	-53.09
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003725265	0	47	0.0	-80.11	360.01	10.37	-69.74
CC1=NC(C[NH+]2CCC(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)=CS1	REAL300003726507	1	46	0.0	-81.14	368.74	8.05	-73.09
C[NH+](C)CCOC1=CC=C(CCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300003726551	0	50	0.0	-81.75	397.31	10.22	-71.53
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300003726556	0	50	0.0	-84.69	394.12	12.28	-72.41
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300003726556	1	50	0.0	-56.87	395.31	11.93	-44.94
C[NH+](C)CC1(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CCCCC1	REAL300003726617	0	46	0.0	-79.10	317.10	8.60	-70.50
C[N@H+](CCC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300003726619	0	46	0.0	-70.99	341.66	9.04	-61.95
C[N@@H+](CCC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])C1CCCCC1	REAL300003726619	1	46	0.0	-71.22	342.96	8.96	-62.26
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003726671	0	40	0.0	-83.02	328.83	7.46	-75.56
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003726690	0	48	0.0	-70.49	344.51	7.56	-62.93
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCCC[NH+]1CCOCC1	REAL300003726711	1	44	0.0	-79.08	342.82	6.95	-72.13
CC[N@H+](CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003726712	0	49	0.0	-79.28	364.87	9.91	-69.37
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003726712	1	49	0.0	-80.11	357.77	9.57	-70.54
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003726727	0	44	0.0	-72.24	344.60	9.66	-62.58
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003726727	1	44	0.0	-71.09	345.48	9.67	-61.42
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003726728	0	45	0.0	-81.72	344.03	8.94	-72.78
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003726749	0	48	0.0	-72.58	341.30	7.22	-65.36
CC(C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003726752	0	43	0.0	-66.64	336.75	9.38	-57.26
CC(C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003726752	1	43	0.0	-66.63	336.63	9.38	-57.25
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003726759	0	50	0.0	-60.99	376.07	11.43	-49.56
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003726759	1	50	0.0	-73.60	386.79	11.62	-61.98
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300003726779	0	48	0.0	-72.30	365.55	9.67	-62.63
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003726794	0	44	0.0	-62.22	344.80	9.52	-52.70
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003726799	0	47	0.0	-59.05	354.41	10.09	-48.96
CCN1CCC([NH+]2CCC(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)CC1	REAL300003726805	0	55	0.0	-78.58	391.67	8.11	-70.47
CC1C[NH+](CC2=CC=C(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300003726811	1	51	0.0	-60.50	393.60	9.22	-51.28
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003726821	1	48	0.0	-77.46	367.19	9.52	-67.94
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003726821	1	48	0.0	-84.39	370.85	10.01	-74.38
CC1=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003726835	1	38	0.0	-83.16	311.88	6.94	-76.22
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003726838	0	47	0.0	-62.18	360.00	10.14	-52.04
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003726848	1	40	0.0	-78.53	323.92	8.25	-70.28
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300003726849	0	43	0.0	-68.79	341.21	9.17	-59.62
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003726852	1	45	0.0	-79.06	345.66	9.25	-69.81
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003726852	1	45	0.0	-83.31	353.83	9.15	-74.16
CC(C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003726860	0	53	0.0	-65.48	400.02	11.85	-53.63
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300003726885	0	43	0.0	-65.75	342.38	9.84	-55.91
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300003726885	1	43	0.0	-65.77	342.41	9.84	-55.93
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300003726886	0	47	0.0	-70.73	371.39	6.06	-64.67
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300003726886	1	47	0.0	-71.40	372.73	5.99	-65.41
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003726892	0	52	0.0	-77.03	397.55	9.61	-67.42
CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300003726919	0	48	0.0	-73.39	358.61	6.65	-66.74
CC(C)N1CC[NH+](CCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300003726919	1	48	0.0	-69.79	355.10	6.45	-63.34
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300003726920	0	51	0.0	-75.68	376.14	7.22	-68.46
CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300003726920	1	51	0.0	-72.89	376.93	7.28	-65.61
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)=C1	REAL300003726924	0	52	0.0	-73.61	397.45	9.44	-64.17
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003726926	0	49	0.0	-73.61	376.05	8.80	-64.81
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003726929	0	46	0.0	-73.07	354.84	8.47	-64.60
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003726929	1	46	0.0	-70.16	359.09	8.91	-61.25
CC(C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003726933	1	44	0.0	-62.60	334.40	9.63	-52.97
CC(C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003726933	1	44	0.0	-61.92	339.23	9.95	-51.97
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003726950	0	47	0.0	-77.35	368.38	10.67	-66.68
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003726950	1	47	0.0	-77.97	368.07	10.65	-67.32
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=NN1	REAL300003726960	1	41	0.0	-82.20	326.01	6.81	-75.39
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=NN1	REAL300003726960	1	41	0.0	-77.47	320.46	6.67	-70.80
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003726967	0	47	0.0	-72.45	366.44	10.40	-62.05
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003726967	1	47	0.0	-67.28	371.27	10.44	-56.84
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003726969	0	48	0.0	-72.37	373.81	8.20	-64.17
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003726994	0	47	0.0	-66.31	346.85	9.26	-57.05
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003726994	1	47	0.0	-70.61	348.38	9.26	-61.35
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=C2)CC1	REAL300003727012	0	49	0.0	-66.21	371.44	7.66	-58.55
C[NH+]1CCN(CC2=CC=C(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003727013	0	49	0.0	-68.68	371.43	7.67	-61.01
CN1CC[NH+](CC2=CC=C(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003727013	1	49	0.0	-62.53	376.85	7.64	-54.89
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300003727014	0	50	0.0	-84.21	382.36	9.84	-74.37
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003727069	0	51	0.0	-65.82	391.62	7.44	-58.38
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003727071	0	47	0.0	-62.50	356.29	10.61	-51.89
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003727071	1	47	0.0	-67.42	362.99	10.71	-56.71
CC[NH+]1CCN(CCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300003727108	0	45	0.0	-75.24	341.86	6.14	-69.10
CCN1CC[NH+](CCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CC1	REAL300003727108	1	45	0.0	-70.00	340.22	5.93	-64.07
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC=C1N2	REAL300003727152	1	45	0.0	-71.16	347.52	8.64	-62.52
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])=CC=C1N2	REAL300003727152	1	45	0.0	-72.20	347.82	8.62	-63.58
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])O1	REAL300003727191	0	43	0.0	-78.23	339.77	9.07	-69.16
CC1=CC=C(N2CCC(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300003727192	1	46	0.0	-75.16	352.75	8.04	-67.12
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003727195	0	52	0.0	-63.93	382.83	8.47	-55.46
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003727202	1	35	0.0	-80.34	297.85	6.35	-73.99
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300003727226	0	47	0.0	-81.02	366.33	10.66	-70.36
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300003727226	1	47	0.0	-82.05	363.33	10.19	-71.86
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300003727241	0	48	0.0	-86.33	384.73	10.00	-76.33
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003727254	0	44	0.0	-80.08	344.47	9.49	-70.59
C[N@@H+]1CC(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300003727508	0	37	0.0	-67.83	292.83	7.34	-60.49
C[N@H+]1CC(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C(C(F)(F)F)C1	REAL300003727508	1	37	0.0	-78.59	292.74	6.65	-71.94
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=C1	REAL300003727801	0	43	0.0	-65.08	335.34	9.08	-56.00
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])C=C1	REAL300003727804	0	44	0.0	-64.58	342.55	8.02	-56.56
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003727865	0	50	0.0	-76.02	382.62	11.36	-64.66
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O=C(CCCC[NH+]1CCOCC1)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734266	1	54	0.0	-74.80	405.92	6.34	-68.46
CC[N@H+](CC1=CC=C(C(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1)C(C)C	REAL300003734267	0	59	0.0	-80.94	422.98	10.37	-70.57
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1)C(C)C	REAL300003734267	1	59	0.0	-79.83	421.73	10.34	-69.49
O=C([O-])C(CC1CCOCC1)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003734291	0	54	0.0	-67.29	404.16	9.83	-57.46
O=C([O-])C(CC1CCOCC1)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003734291	1	54	0.0	-66.98	412.64	9.25	-57.73
O=C([O-])C(CC1CCOCC1)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003734292	0	55	0.0	-79.84	406.87	8.37	-71.47
O=C(CC1([NH+]2CCOCC2)CCCC1)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734320	0	58	0.0	-68.92	404.62	6.53	-62.39
CCC(C(=O)NC(CC1CCOCC1)C(=O)[O-])[NH+](CC)CC	REAL300003734324	0	52	0.0	-56.36	373.78	7.06	-49.30
CC(C(=O)NC(CC1CCOCC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003734326	0	53	0.0	-64.71	402.88	8.66	-56.05
CC(C(=O)NC(CC1CCOCC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003734326	1	53	0.0	-62.76	398.39	9.46	-53.30
O=C([O-])C(CC1CCOCC1)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003734333	0	60	0.0	-70.72	451.53	10.75	-59.97
O=C([O-])C(CC1CCOCC1)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003734333	1	60	0.0	-71.13	447.08	11.55	-59.58
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CCOCC2)C(=O)[O-])C=N1	REAL300003734346	0	49	0.0	-78.24	377.61	7.44	-70.80
CCC[NH+](CCC)CCCC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734352	0	58	0.0	-69.33	425.73	8.67	-60.66
C[N@@H+]1CCOC(C(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300003734354	1	45	0.0	-79.05	336.84	5.77	-73.28
C[N@H+]1CCOC(C(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300003734354	1	45	0.0	-54.26	338.16	4.98	-49.28
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734361	1	48	0.0	-57.43	369.09	8.23	-49.20
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003734375	0	54	0.0	-80.36	406.63	10.08	-70.28
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003734380	0	57	0.0	-75.36	427.60	10.03	-65.33
CCN1CCC([NH+]2CCC(C(=O)NC(CC3CCOCC3)C(=O)[O-])CC2)CC1	REAL300003734385	0	65	0.0	-69.86	457.97	7.46	-62.40
C[NH+](C)CCCCC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734396	0	49	0.0	-73.81	373.01	6.88	-66.93
O=C([O-])C(CC1CCOCC1)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003734405	1	58	0.0	-79.46	431.23	9.89	-69.57
O=C([O-])C(CC1CCOCC1)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003734405	1	58	0.0	-79.00	438.05	9.94	-69.06
CC1=C(C(=O)NC(CC2CCOCC2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003734417	1	48	0.0	-78.42	377.84	7.27	-71.15
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003734420	0	57	0.0	-81.91	423.08	10.74	-71.17
O=C([O-])C(CC1CCOCC1)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003734431	1	50	0.0	-76.22	390.46	6.83	-69.39
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300003734432	0	53	0.0	-83.79	404.32	9.78	-74.01
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734438	1	46	0.0	-57.69	352.72	6.57	-51.12
O=C([O-])C(CC1CCOCC1)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003734439	1	55	0.0	-56.77	410.40	9.35	-47.42
O=C([O-])C(CC1CCOCC1)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003734439	1	55	0.0	-57.56	414.05	8.59	-48.97
C[N@H+](CC(=O)NC(CC1CCOCC1)C(=O)[O-])CC(C)(C)C	REAL300003734488	0	52	0.0	-59.15	371.27	7.90	-51.25
C[N@@H+](CC(=O)NC(CC1CCOCC1)C(=O)[O-])CC(C)(C)C	REAL300003734488	1	52	0.0	-60.20	377.19	7.31	-52.89
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734490	0	53	0.0	-63.14	402.81	9.86	-53.28
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734490	1	53	0.0	-63.20	406.19	9.18	-54.02
COCCOCC[N@H+](C)CCC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734491	0	57	0.0	-67.31	431.84	6.03	-61.28
COCCOCC[N@@H+](C)CCC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734491	1	57	0.0	-69.75	435.82	5.37	-64.38
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300003734494	0	51	0.0	-67.22	370.89	5.92	-61.30
C[N@H+]1CCCC(O)(CC(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300003734494	1	51	0.0	-64.76	373.99	5.78	-58.98
CCCCCC[N@H+](C)CC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734505	0	55	0.0	-61.38	407.40	9.18	-52.20
CCCCCC[N@@H+](C)CC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734505	1	55	0.0	-61.81	411.37	8.52	-53.29
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300003734519	1	42	0.0	-77.20	337.49	8.26	-68.94
C[N@H+](CC(=O)NC(CC1CCOCC1)C(=O)[O-])C1CCSC1	REAL300003734535	0	48	0.0	-64.21	367.23	6.94	-57.27
C[N@@H+](CC(=O)NC(CC1CCOCC1)C(=O)[O-])C1CCSC1	REAL300003734535	1	48	0.0	-65.85	363.01	7.66	-58.19
CC(C)[NH+]1CCN(CCC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300003734548	0	58	0.0	-70.49	423.24	5.86	-64.63
CC(C)N1CC[NH+](CCC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300003734548	1	58	0.0	-65.03	415.10	6.45	-58.58
CC(C)[NH+]1CCN(CCCC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300003734549	0	61	0.0	-71.33	443.90	6.72	-64.61
CC(C)N1CC[NH+](CCCC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300003734549	1	61	0.0	-70.43	441.05	6.45	-63.98
O=C([O-])C(CC1CCOCC1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300003734550	0	51	0.0	-54.05	367.96	8.35	-45.70
O=C([O-])C(CC1CCOCC1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300003734550	1	51	0.0	-58.69	363.74	7.31	-51.38
C[NH+](C)CCN1C=C(C(=O)NC(CC2CCOCC2)C(=O)[O-])C=N1	REAL300003734552	0	50	0.0	-79.80	392.19	6.20	-73.60
O=C([O-])C(CC1CCOCC1)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003734556	0	59	0.0	-69.81	436.48	8.76	-61.05
O=C([O-])C(CC1CCOCC1)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003734558	0	56	0.0	-69.05	417.70	8.34	-60.71
O=C([O-])C(CC1CCOCC1)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003734558	1	56	0.0	-68.72	423.86	8.03	-60.69
CC(C(=O)NC(CC1CCOCC1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003734563	1	54	0.0	-57.28	394.77	9.86	-47.42
CC(C(=O)NC(CC1CCOCC1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003734563	1	54	0.0	-61.51	402.91	9.25	-52.26
O=C([O-])C(CC1CCOCC1)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003734583	0	57	0.0	-73.65	429.39	9.90	-63.75
O=C([O-])C(CC1CCOCC1)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003734583	1	57	0.0	-72.69	426.38	10.66	-62.03
C[NH+](C)CCN1C=CC(C(=O)NC(CC2CCOCC2)C(=O)[O-])=N1	REAL300003734596	0	50	0.0	-85.42	391.73	6.23	-79.19
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734597	0	50	0.0	-59.48	383.79	6.90	-52.58
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734598	1	51	0.0	-63.28	393.84	7.90	-55.38
CC[C@@H]1[C@@H](C(=O)NC(CC2CCOCC2)C(=O)[O-])CC[N@@H+]1C	REAL300003734601	0	50	0.0	-67.06	360.53	7.14	-59.92
CC[C@@H]1[C@@H](C(=O)NC(CC2CCOCC2)C(=O)[O-])CC[N@H+]1C	REAL300003734601	1	50	0.0	-68.56	368.06	6.94	-61.62
CC1C[N@H+](C)CC(C(=O)NC(CC2CCOCC2)C(=O)[O-])O1	REAL300003734611	1	48	0.0	-80.88	358.84	5.89	-74.99
CC1C[N@@H+](C)CC(C(=O)NC(CC2CCOCC2)C(=O)[O-])O1	REAL300003734611	1	48	0.0	-73.51	365.65	5.91	-67.60
O=C([O-])C(CC1CCOCC1)NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003734615	0	57	0.0	-69.03	428.94	10.22	-58.81
O=C([O-])C(CC1CCOCC1)NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003734615	1	57	0.0	-68.53	435.40	9.95	-58.58
CC(C[NH+]1CCOCC1)C(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734620	0	51	0.0	-67.67	379.20	5.42	-62.25
O=C([O-])C(CC1CCOCC1)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003734621	0	58	0.0	-70.47	438.45	7.43	-63.04
CC1CC[NH+](CC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300003734631	0	50	0.0	-59.85	366.39	7.97	-51.88
CC[N@@H+]1CCOC(C(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300003734644	1	48	0.0	-51.93	351.47	6.43	-45.50
CC[N@H+]1CCOC(C(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300003734644	1	48	0.0	-70.58	362.82	5.86	-64.72
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300003734675	1	57	0.0	-79.63	424.58	8.17	-71.46
O=C([O-])C(CC1CCOCC1)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003734676	0	57	0.0	-66.26	410.24	9.34	-56.92
O=C([O-])C(CC1CCOCC1)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003734676	1	57	0.0	-67.51	412.38	8.61	-58.90
C[N@@H+]1CCCC1CCC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734682	0	50	0.0	-68.53	375.05	7.24	-61.29
C[N@H+]1CCCC1CCC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734682	1	50	0.0	-69.18	368.93	6.74	-62.44
O=C([O-])C(CC1CCOCC1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300003734693	0	51	0.0	-61.84	368.74	7.23	-54.61
O=C([O-])C(CC1CCOCC1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300003734693	1	51	0.0	-56.54	368.35	7.23	-49.31
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC3CCOCC3)C(=O)[O-])=C2)CC1	REAL300003734706	0	59	0.0	-71.27	440.51	8.35	-62.92
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC3CCOCC3)C(=O)[O-])C=C2)CC1	REAL300003734707	0	59	0.0	-81.35	439.33	8.23	-73.12
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC3CCOCC3)C(=O)[O-])C=C2)CC1	REAL300003734707	1	59	0.0	-81.07	439.67	8.29	-72.78
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300003734708	0	60	0.0	-79.69	446.82	10.07	-69.62
CC(C)[NH+]1CCC(C(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300003734716	0	53	0.0	-72.56	382.90	7.37	-65.19
O=C([O-])C(CC1CCOCC1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300003734789	0	48	0.0	-73.70	348.70	6.03	-67.67
O=C([O-])C(CC1CCOCC1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300003734789	1	48	0.0	-78.83	347.88	6.07	-72.76
CC1CCC(C)[NH+]1CC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734829	0	50	0.0	-58.16	364.79	6.77	-51.39
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300003734830	0	50	0.0	-75.07	386.09	8.18	-66.89
O=C([O-])C(CC1CCOCC1)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003734831	0	57	0.0	-61.65	418.56	10.81	-50.84
O=C([O-])C(CC1CCOCC1)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003734831	1	57	0.0	-62.57	422.73	10.09	-52.48
C#CC[NH+]1CCC(C(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300003734883	0	49	0.0	-74.08	377.17	7.51	-66.57
CC[NH+]1CCN(CCC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300003734885	0	55	0.0	-75.09	405.33	5.20	-69.89
CCN1CC[NH+](CCC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300003734885	1	55	0.0	-66.82	406.25	5.40	-61.42
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734892	1	51	0.0	-60.57	388.85	8.64	-51.93
CC(C(=O)NC(CC1CCOCC1)C(=O)[O-])[NH+]1CCCCCC1	REAL300003734923	0	53	0.0	-57.22	377.92	7.10	-50.12
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CCOCC3)C(=O)[O-])=CC=C1N2	REAL300003734957	1	55	0.0	-81.34	416.62	9.36	-71.98
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CCOCC3)C(=O)[O-])=CC=C1N2	REAL300003734957	1	55	0.0	-81.71	420.80	8.66	-73.05
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2CCOCC2)C(=O)[O-])O1	REAL300003734998	0	53	0.0	-74.72	408.08	7.90	-66.82
O=C(CCCC[NH+]1CCCC1)NC(CC1CCOCC1)C(=O)[O-]	REAL300003734999	0	53	0.0	-70.71	394.76	8.80	-61.91
CC1=CC=C(N2CCC(C(=O)NC(CC3CCOCC3)C(=O)[O-])CC2)[NH+]=C1	REAL300003735001	1	56	0.0	-70.19	413.75	8.35	-61.84
C[N@H+](CC(=O)NC(CC1CCOCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300003735002	1	50	0.0	-63.04	380.09	9.08	-53.96
C[N@@H+](CC(=O)NC(CC1CCOCC1)C(=O)[O-])CC1=CC=CC=C1	REAL300003735002	1	50	0.0	-64.93	384.55	8.29	-56.64
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003735022	1	45	0.0	-78.04	366.35	6.18	-71.86
C[NH+](C)CC1=CC(C(=O)NC(CC2CCOCC2)C(=O)[O-])=NO1	REAL300003735045	1	46	0.0	-77.99	366.17	5.77	-72.22
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003735049	0	57	0.0	-69.40	420.68	10.19	-59.21
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003735049	1	57	0.0	-71.10	428.11	9.63	-61.47
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003735065	0	50	0.0	-59.86	366.77	6.83	-53.03
CC(C)[N@H+]1CCCC1C(=O)NC(CC1CCOCC1)C(=O)[O-]	REAL300003735065	1	50	0.0	-52.65	350.08	7.28	-45.37
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300003735072	0	58	0.0	-82.75	450.38	9.15	-73.60
C[NH+]1CCC(OCC(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300003735086	0	51	0.0	-77.78	387.60	6.84	-70.94
O=C([O-])C(CC1CCOCC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003735091	0	54	0.0	-76.44	413.20	8.43	-68.01
CCC[N@@H+]1CCCC(C(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300003735237	0	53	0.0	-57.48	385.36	7.93	-49.55
CCC[N@H+]1CCCC(C(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300003735237	1	53	0.0	-64.24	383.30	8.36	-55.88
O=C([O-])C(CC1CCOCC1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300003735265	1	51	0.0	-61.15	377.47	4.61	-56.54
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300003735448	0	53	0.0	-64.89	386.78	7.48	-57.41
CC(C)[N@H+]1CCCC(C(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300003735448	1	53	0.0	-54.71	375.40	8.46	-46.25
C[N@@H+]1CC(C(=O)NC(CC2CCOCC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003735449	0	47	0.0	-73.85	350.86	6.73	-67.12
C[N@H+]1CC(C(=O)NC(CC2CCOCC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003735449	1	47	0.0	-74.83	354.45	6.80	-68.03
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2CCOCC2)C(=O)[O-])N1	REAL300003735471	1	48	0.0	-62.63	378.12	5.97	-56.66
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2CCOCC2)C(=O)[O-])=C1	REAL300003735863	0	53	0.0	-77.07	407.70	9.06	-68.01
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2CCOCC2)C(=O)[O-])C=C1	REAL300003735871	0	54	0.0	-80.94	411.62	8.72	-72.22
O=C([O-])C(CC1CCOCC1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003735963	0	60	0.0	-66.98	446.76	10.68	-56.30
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC3CCOCC3)C(=O)[O-])C=C2)CCO1	REAL300003735965	1	58	0.0	-85.41	433.39	8.34	-77.07
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC3CCOCC3)C(=O)[O-])C=C2)CCO1	REAL300003735965	1	58	0.0	-83.60	432.60	8.39	-75.21
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2CCOCC2)C(=O)[O-])CC1	REAL300003735996	0	53	0.0	-71.11	369.09	7.88	-63.23
CC1=[NH+]C=C2C=CC(C(=O)NC(CC3CCOCC3)C(=O)[O-])=CN21	REAL300003736000	0	45	0.0	-66.41	358.64	8.03	-58.38
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300003736050	0	56	0.0	-55.81	397.76	8.57	-47.24
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300003736050	1	56	0.0	-56.86	395.86	9.30	-47.56
CC[N@@H+]1CCCC(C(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300003736051	0	50	0.0	-66.42	365.90	7.70	-58.72
CC[N@H+]1CCCC(C(=O)NC(CC2CCOCC2)C(=O)[O-])C1	REAL300003736051	1	50	0.0	-63.87	361.78	7.61	-56.26
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CCOCC2)C(=O)[O-])O1	REAL300003736057	1	47	0.0	-77.12	370.54	6.46	-70.66
O=C([O-])C(CC1CCOCC1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003736064	0	49	0.0	-67.70	360.34	7.23	-60.47
O=C([O-])C(CC1CCOCC1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300003736064	1	49	0.0	-62.37	365.02	7.32	-55.05
CC(C)C[C@H](NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003737074	0	52	0.0	-74.10	395.95	10.48	-63.62
CC1=NC(C[NH+]2CCC(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)=CS1	REAL300003738306	1	51	0.0	-71.61	402.41	8.52	-63.09
CC(C)C[C@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003738350	0	55	0.0	-77.99	429.19	9.95	-68.04
CC(C)C[C@H](NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003738355	0	55	0.0	-76.90	429.17	12.36	-64.54
CC(C)C[C@H](NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003738355	1	55	0.0	-78.40	429.89	12.33	-66.07
CC(C)C[C@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300003738464	0	45	0.0	-78.68	363.53	7.87	-70.81
CC(C)C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300003738482	0	53	0.0	-76.89	386.01	7.49	-69.40
CC(C)C[C@H](NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300003738501	1	49	0.0	-73.71	373.16	6.82	-66.89
CC[N@H+](CC1=CC=C(C(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1)C(C)C	REAL300003738502	0	54	0.0	-77.27	398.26	10.11	-67.16
CC[N@@H+](CC1=CC=C(C(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1)C(C)C	REAL300003738502	1	54	0.0	-77.28	392.58	9.96	-67.32
CC(C)C[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003738517	0	49	0.0	-65.09	379.10	9.66	-55.43
CC(C)C[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003738517	1	49	0.0	-66.07	380.12	9.66	-56.41
CC(C)C[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300003738518	0	50	0.0	-73.08	374.89	8.86	-64.22
CC(C)C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300003738539	0	53	0.0	-67.40	371.82	7.08	-60.32
CC(C)C[C@H](NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003738542	0	48	0.0	-61.66	369.73	9.26	-52.40
CC(C)C[C@H](NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003738542	1	48	0.0	-58.27	370.08	9.16	-49.11
CC(C)C[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003738549	0	55	0.0	-70.52	418.53	11.30	-59.22
CC(C)C[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003738549	1	55	0.0	-57.61	412.52	11.44	-46.17
CCC[NH+](CCC)CCCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300003738569	0	53	0.0	-67.84	397.18	9.46	-58.38
CC(C)C[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300003738584	0	49	0.0	-80.97	378.09	9.81	-71.16
CC(C)C[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300003738589	0	52	0.0	-74.44	394.84	10.51	-63.93
CCN1CCC([NH+]2CCC(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)CC1	REAL300003738595	0	60	0.0	-69.62	428.06	8.08	-61.54
CC(C)C[C@H](NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300003738601	1	56	0.0	-83.58	428.15	9.55	-74.03
CC(C)C[C@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003738611	1	53	0.0	-77.34	402.44	9.71	-67.63
CC(C)C[C@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003738611	1	53	0.0	-79.02	402.75	9.66	-69.36
CC1=C(C(=O)N[C@@H](CC(C)C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003738625	1	43	0.0	-79.64	349.24	7.03	-72.61
CC(C)C[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300003738628	0	52	0.0	-81.38	394.79	10.59	-70.79
CC(C)C[C@H](NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300003738638	1	45	0.0	-75.86	358.80	7.45	-68.41
CC(C)C[C@H](NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003738639	0	48	0.0	-83.94	374.93	9.62	-74.32
CC(C)C[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003738642	1	50	0.0	-68.70	389.16	9.25	-59.45
CC(C)C[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003738642	1	50	0.0	-57.89	382.15	9.04	-48.85
CC(C)C[C@H](NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003738650	0	58	0.0	-56.51	433.38	11.65	-44.86
CC(C)C[C@H](NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003738675	0	48	0.0	-62.14	374.27	9.61	-52.53
CC(C)C[C@H](NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003738675	1	48	0.0	-61.45	374.02	9.68	-51.77
COCCOCC[N@H+](C)CCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300003738676	0	52	0.0	-66.57	403.26	5.84	-60.73
COCCOCC[N@@H+](C)CCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300003738676	1	52	0.0	-66.47	403.26	5.84	-60.63
CC(C)C[C@H](NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003738682	0	57	0.0	-72.43	429.17	9.42	-63.01
CC(C)C[C@H](NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003738708	0	53	0.0	-68.89	390.24	6.41	-62.48
CC(C)C[C@H](NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003738708	1	53	0.0	-64.01	386.14	6.19	-57.82
CC(C)C[C@H](NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003738709	0	56	0.0	-70.89	411.96	7.20	-63.69
CC(C)C[C@H](NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003738709	1	56	0.0	-68.91	408.48	6.95	-61.96
CC1=CC=CC(N2CC[NH+](CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)=C1	REAL300003738713	0	57	0.0	-68.64	429.09	9.24	-59.40
CC(C)C[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003738714	0	54	0.0	-68.64	407.68	8.57	-60.07
CC(C)C[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003738717	0	51	0.0	-66.34	384.14	8.86	-57.48
CC(C)C[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003738717	1	51	0.0	-67.50	390.33	8.65	-58.85
CC(C)C[C@H](NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003738721	1	49	0.0	-59.47	372.72	9.64	-49.83
CC(C)C[C@H](NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003738721	1	49	0.0	-59.51	370.20	9.74	-49.77
CC(C)C[C@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003738738	0	52	0.0	-72.23	398.20	10.31	-61.92
CC(C)C[C@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003738738	1	52	0.0	-73.48	399.94	10.42	-63.06
CC(C)C[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003738755	0	52	0.0	-66.74	395.62	10.74	-56.00
CC(C)C[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003738755	1	52	0.0	-66.80	402.60	10.47	-56.33
CC(C)C[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300003738757	0	53	0.0	-67.90	405.43	8.03	-59.87
CC(C)C[C@H](NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300003738779	1	52	0.0	-74.00	396.69	8.84	-65.16
CC(C)C[C@H](NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003738780	0	52	0.0	-63.58	379.79	9.10	-54.48
CC(C)C[C@H](NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003738780	1	52	0.0	-65.74	379.63	9.15	-56.59
CC(C)C[C@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300003738798	0	54	0.0	-75.49	411.91	8.14	-67.35
CC(C)C[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300003738799	0	54	0.0	-78.99	411.87	8.15	-70.84
CC(C)C[C@H](NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300003738799	1	54	0.0	-81.45	410.53	8.02	-73.43
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300003738800	0	55	0.0	-79.76	413.96	9.58	-70.18
CC(C)C[C@H](NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300003738853	0	56	0.0	-83.51	426.52	7.83	-75.68
CC(C)C[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003738855	0	52	0.0	-61.56	389.99	10.62	-50.94
CC(C)C[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003738855	1	52	0.0	-63.30	395.37	10.45	-52.85
CC(C)C[C@H](NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003738935	1	50	0.0	-81.75	388.07	9.13	-72.62
CC(C)C[C@H](NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003738935	1	50	0.0	-81.25	387.46	9.13	-72.12
CC[NH+](CC)CC1=CC=C(C(=O)N[C@@H](CC(C)C)C(=O)[O-])O1	REAL300003738973	0	48	0.0	-74.81	370.78	8.13	-66.68
CC1=CC=C(N2CCC(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)[NH+]=C1	REAL300003738975	1	51	0.0	-71.11	389.16	8.25	-62.86
CC(C)C[C@H](NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300003738978	0	57	0.0	-83.00	421.29	9.05	-73.95
CC(C)C[C@H](NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003738985	1	40	0.0	-77.39	334.19	6.68	-70.71
CC(C)C[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003739009	0	52	0.0	-75.47	398.76	10.15	-65.32
CC(C)C[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003739009	1	52	0.0	-68.77	393.80	10.10	-58.67
CC(C)C[C@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003739024	0	53	0.0	-82.02	417.61	9.65	-72.37
CC(C)C[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300003739036	0	49	0.0	-75.92	381.27	8.89	-67.03
CC(C)C[C@H](NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003739280	0	42	0.0	-73.27	325.44	6.56	-66.71
CC(C)C[C@H](NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003739280	1	42	0.0	-57.39	337.89	7.02	-50.37
CC(C)C[C@H](NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300003739567	0	48	0.0	-76.34	374.94	9.59	-66.75
CC(C)C[C@H](NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003739570	0	49	0.0	-81.22	382.24	8.52	-72.70
CC(C)C[C@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003739630	0	55	0.0	-69.37	414.85	11.17	-58.20
CC(C)C[C@H](NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003739632	1	53	0.0	-82.63	399.80	8.94	-73.69
CC(C)C[C@H](NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003739632	1	53	0.0	-82.67	399.86	8.89	-73.78
O=C([O-])C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1CCOCC1	REAL300003740811	0	54	0.0	-73.43	404.68	9.14	-64.29
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1CCOCC1	REAL300003742136	0	48	0.0	-69.11	360.30	6.99	-62.12
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3CCOCC3)CN21	REAL300003742161	1	46	0.0	-61.35	352.13	6.68	-54.67
CC1=NC(C[NH+]2CCC(C(=O)NC(C(=O)[O-])C3CCOCC3)CC2)=CS1	REAL300003742222	1	53	0.0	-73.46	412.07	6.90	-66.56
CC(C(=O)NC(C(=O)[O-])C1CCOCC1)N1CC[NH+](C)CC1	REAL300003742223	1	49	0.0	-70.69	357.39	3.73	-66.96
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300003742293	0	57	0.0	-80.47	435.00	8.48	-71.99
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300003742298	0	57	0.0	-78.79	439.35	11.02	-67.77
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300003742298	1	57	0.0	-77.81	439.26	11.03	-66.78
O=C([O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1CCOCC1	REAL300003742350	0	39	0.0	-73.15	311.09	7.18	-65.97
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2CCOCC2)CCCCC1	REAL300003742375	0	53	0.0	-74.10	360.91	8.22	-65.88
C[N@H+](CCC(=O)NC(C(=O)[O-])C1CCOCC1)C1CCCCC1	REAL300003742378	0	53	0.0	-65.27	381.94	7.49	-57.78
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1CCOCC1)C1CCCCC1	REAL300003742378	1	53	0.0	-66.72	384.86	7.50	-59.22
O=C([O-])C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1CCOCC1	REAL300003742439	0	47	0.0	-78.05	372.69	6.54	-71.51
O=C([O-])C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1CCOCC1	REAL300003742455	0	55	0.0	-56.21	391.65	6.05	-50.16
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003742483	1	45	0.0	-69.00	352.47	6.57	-62.43
O=C(CCCC[NH+]1CCOCC1)NC(C(=O)[O-])C1CCOCC1	REAL300003742484	1	51	0.0	-74.98	384.71	5.50	-69.48
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCOCC2)C=C1)C(C)C	REAL300003742485	0	56	0.0	-76.48	406.67	8.85	-67.63
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCOCC2)C=C1)C(C)C	REAL300003742485	1	56	0.0	-78.54	403.95	8.59	-69.95
O=C([O-])C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300003742503	0	51	0.0	-64.37	386.71	8.29	-56.08
O=C([O-])C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300003742503	1	51	0.0	-69.26	383.93	8.15	-61.11
O=C([O-])C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1CCOCC1	REAL300003742504	0	52	0.0	-77.48	383.35	7.54	-69.94
O=C(CC1([NH+]2CCOCC2)CCCC1)NC(C(=O)[O-])C1CCOCC1	REAL300003742532	0	55	0.0	-70.67	377.67	5.64	-65.03
CCC(C(=O)NC(C(=O)[O-])C1CCOCC1)[NH+](CC)CC	REAL300003742536	0	49	0.0	-57.10	346.52	6.06	-51.04
CC(C(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+](C)CC1=CC=CC=C1	REAL300003742538	0	50	0.0	-64.65	375.44	7.74	-56.91
CC(C(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+](C)CC1=CC=CC=C1	REAL300003742538	1	50	0.0	-63.25	381.20	7.91	-55.34
O=C([O-])C(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1CCOCC1	REAL300003742546	0	57	0.0	-69.86	430.09	9.98	-59.88
O=C([O-])C(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1CCOCC1	REAL300003742546	1	57	0.0	-64.61	418.29	9.94	-54.67
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCOCC2)C=N1	REAL300003742562	0	46	0.0	-75.96	357.46	5.93	-70.03
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003742569	0	55	0.0	-70.06	404.53	7.84	-62.22
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003742577	1	45	0.0	-58.63	352.10	6.66	-51.97
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1CCOCC1	REAL300003742590	0	51	0.0	-79.72	385.62	8.48	-71.24
O=C([O-])C(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1CCOCC1	REAL300003742595	0	54	0.0	-74.22	406.17	9.26	-64.96
CCN1CCC([NH+]2CCC(C(=O)NC(C(=O)[O-])C3CCOCC3)CC2)CC1	REAL300003742601	0	62	0.0	-70.27	437.36	6.63	-63.64
CC1C[NH+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCOCC3)C=C2)CC(C)O1	REAL300003742608	1	58	0.0	-84.57	439.48	8.29	-76.28
O=C([O-])C(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1CCOCC1	REAL300003742619	1	55	0.0	-78.59	412.05	8.42	-70.17
O=C([O-])C(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CCOCC1	REAL300003742619	1	55	0.0	-80.91	414.68	8.27	-72.64
CC1=C(C(=O)NC(C(=O)[O-])C2CCOCC2)C=NN1C1=CC=[NH+]C=C1	REAL300003742635	1	45	0.0	-80.16	360.62	5.77	-74.39
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1CCOCC1	REAL300003742638	0	54	0.0	-82.32	405.85	9.22	-73.10
O=C([O-])C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1CCOCC1	REAL300003742649	1	47	0.0	-79.94	363.76	5.84	-74.10
C[NH+](C)CCC1=CC=C(C(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300003742650	0	50	0.0	-84.34	385.14	8.29	-76.05
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003742655	1	43	0.0	-58.83	335.75	5.00	-53.83
O=C([O-])C(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1CCOCC1	REAL300003742656	1	52	0.0	-58.82	387.29	7.61	-51.21
O=C([O-])C(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1CCOCC1	REAL300003742656	1	52	0.0	-72.27	395.08	7.71	-64.56
CC(C(=O)NC(C(=O)[O-])C1CCOCC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003742666	0	60	0.0	-60.74	444.67	10.39	-50.35
C[N@H+](CC(=O)NC(C(=O)[O-])C1CCOCC1)CC(C)(C)C	REAL300003742701	0	49	0.0	-61.24	349.98	6.24	-55.00
C[N@@H+](CC(=O)NC(C(=O)[O-])C1CCOCC1)CC(C)(C)C	REAL300003742701	1	49	0.0	-60.61	350.13	6.30	-54.31
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003742703	0	50	0.0	-60.73	382.67	8.35	-52.38
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003742703	1	50	0.0	-65.50	380.05	8.13	-57.37
COCCOCC[N@H+](C)CCC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003742704	0	54	0.0	-64.88	412.62	4.57	-60.31
COCCOCC[N@@H+](C)CCC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003742704	1	54	0.0	-69.38	414.63	4.55	-64.83
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300003742707	0	48	0.0	-66.72	340.95	3.90	-62.82
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300003742707	1	48	0.0	-66.65	341.27	4.15	-62.50
O=C([O-])C(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCOCC1	REAL300003742714	0	59	0.0	-75.58	434.65	7.89	-67.69
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003742716	0	52	0.0	-63.76	384.64	7.45	-56.31
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003742716	1	52	0.0	-61.28	390.17	7.67	-53.61
O=C([O-])C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1CCOCC1	REAL300003742726	1	39	0.0	-80.37	311.35	7.21	-73.16
C[N@H+](CC(=O)NC(C(=O)[O-])C1CCOCC1)C1CCSC1	REAL300003742742	0	45	0.0	-65.57	341.07	5.98	-59.59
C[N@@H+](CC(=O)NC(C(=O)[O-])C1CCOCC1)C1CCSC1	REAL300003742742	1	45	0.0	-62.05	343.83	6.17	-55.88
CC(C)[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300003742756	0	55	0.0	-70.09	401.80	5.09	-65.00
CC(C)N1CC[NH+](CCC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300003742756	1	55	0.0	-67.13	392.01	4.72	-62.41
CC(C)[NH+]1CCN(CCCC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300003742757	0	58	0.0	-71.50	423.30	5.90	-65.60
CC(C)N1CC[NH+](CCCC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300003742757	1	58	0.0	-71.53	413.51	5.51	-66.02
O=C([O-])C(NC(=O)C1CCCC2CCC[N@@H+]21)C1CCOCC1	REAL300003742758	0	48	0.0	-60.61	341.95	6.43	-54.18
O=C([O-])C(NC(=O)C1CCCC2CCC[N@H+]21)C1CCOCC1	REAL300003742758	1	48	0.0	-56.58	340.20	6.49	-50.09
C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C2CCOCC2)C=N1	REAL300003742760	0	47	0.0	-82.76	364.66	5.24	-77.52
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(C(=O)[O-])C3CCOCC3)CC2)=C1	REAL300003742763	0	59	0.0	-71.08	434.56	7.75	-63.33
O=C([O-])C(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1CCOCC1	REAL300003742765	0	56	0.0	-71.45	413.16	7.08	-64.37
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1CCOCC1	REAL300003742767	0	53	0.0	-68.00	389.48	7.34	-60.66
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1CCOCC1	REAL300003742767	1	53	0.0	-69.19	402.44	7.35	-61.84
CC(C(=O)NC(C(=O)[O-])C1CCOCC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003742772	1	51	0.0	-61.48	384.81	8.30	-53.18
CC(C(=O)NC(C(=O)[O-])C1CCOCC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003742772	1	51	0.0	-61.83	376.38	8.18	-53.65
O=C([O-])C(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300003742795	0	54	0.0	-73.85	411.48	9.15	-64.70
O=C([O-])C(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300003742795	1	54	0.0	-73.44	410.03	9.08	-64.36
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C2CCOCC2)=N1	REAL300003742808	0	47	0.0	-89.92	365.04	5.24	-84.68
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003742809	0	47	0.0	-56.32	363.01	5.43	-50.89
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003742810	1	48	0.0	-61.89	372.41	7.14	-54.75
CC1C[N@H+](C)CC(C(=O)NC(C(=O)[O-])C2CCOCC2)O1	REAL300003742820	1	45	0.0	-80.25	338.27	5.09	-75.16
CC1C[N@@H+](C)CC(C(=O)NC(C(=O)[O-])C2CCOCC2)O1	REAL300003742820	1	45	0.0	-75.57	331.67	4.49	-71.08
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1CCOCC1	REAL300003742824	0	54	0.0	-69.70	402.21	9.14	-60.56
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1CCOCC1	REAL300003742824	1	54	0.0	-67.60	413.94	9.19	-58.41
CC(C[NH+]1CCOCC1)C(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003742829	0	48	0.0	-68.32	352.24	4.45	-63.87
O=C([O-])C(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1CCOCC1	REAL300003742830	0	55	0.0	-69.50	417.01	6.67	-62.83
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300003742849	1	45	0.0	-73.88	329.54	4.60	-69.28
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300003742849	1	45	0.0	-73.03	336.09	4.79	-68.24
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300003742874	1	54	0.0	-79.70	403.97	7.35	-72.35
O=C([O-])C(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1CCOCC1	REAL300003742875	0	54	0.0	-68.56	386.37	7.61	-60.95
O=C([O-])C(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1CCOCC1	REAL300003742875	1	54	0.0	-65.65	388.87	7.79	-57.86
O=C([O-])C(NC(=O)C1CCC2CCCC[N@@H+]21)C1CCOCC1	REAL300003742891	0	48	0.0	-55.86	354.33	6.87	-48.99
O=C([O-])C(NC(=O)C1CCC2CCCC[N@H+]21)C1CCOCC1	REAL300003742891	1	48	0.0	-55.53	351.40	6.85	-48.68
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(C(=O)[O-])C3CCOCC3)=C2)CC1	REAL300003742905	0	56	0.0	-74.71	417.75	6.59	-68.12
C[NH+]1CCN(CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCOCC3)C=C2)CC1	REAL300003742906	0	56	0.0	-85.87	416.81	6.41	-79.46
CN1CC[NH+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCOCC3)C=C2)CC1	REAL300003742906	1	56	0.0	-85.84	416.58	6.54	-79.30
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300003742907	0	57	0.0	-81.88	423.50	8.37	-73.51
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300003742914	0	50	0.0	-66.80	358.81	6.52	-60.28
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1CCOCC1	REAL300003743004	0	58	0.0	-84.20	434.92	6.57	-77.63
C[NH+](C)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300003743008	0	47	0.0	-74.90	364.61	7.40	-67.50
O=C([O-])C(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300003743009	0	54	0.0	-63.83	395.81	9.12	-54.71
O=C([O-])C(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1CCOCC1	REAL300003743009	1	54	0.0	-58.51	397.04	9.27	-49.24
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300003743057	0	46	0.0	-73.51	355.73	6.73	-66.78
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300003743060	0	52	0.0	-72.77	380.98	4.42	-68.35
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300003743060	1	52	0.0	-66.49	385.06	4.57	-61.92
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003743067	1	48	0.0	-60.09	369.90	7.10	-52.99
CC(C(=O)NC(C(=O)[O-])C1CCOCC1)[NH+]1CCCCCC1	REAL300003743095	0	50	0.0	-56.10	356.52	6.33	-49.77
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3CCOCC3)=CC=C1N2	REAL300003743126	1	52	0.0	-80.59	396.46	7.85	-72.74
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(C(=O)[O-])C3CCOCC3)=CC=C1N2	REAL300003743126	1	52	0.0	-82.33	399.58	7.82	-74.51
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCOCC2)O1	REAL300003743170	0	50	0.0	-79.42	381.12	6.87	-72.55
O=C(CCCC[NH+]1CCCC1)NC(C(=O)[O-])C1CCOCC1	REAL300003743171	0	50	0.0	-73.41	371.68	7.06	-66.35
CC1=CC=C(N2CCC(C(=O)NC(C(=O)[O-])C3CCOCC3)CC2)[NH+]=C1	REAL300003743173	1	53	0.0	-74.43	394.96	6.76	-67.67
C[N@H+](CC(=O)NC(C(=O)[O-])C1CCOCC1)CC1=CC=CC=C1	REAL300003743174	1	47	0.0	-61.14	360.19	7.51	-53.63
C[N@@H+](CC(=O)NC(C(=O)[O-])C1CCOCC1)CC1=CC=CC=C1	REAL300003743174	1	47	0.0	-64.58	357.07	7.35	-57.23
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(C(=O)[O-])C3CCOCC3)C=C2)CC1	REAL300003743178	0	59	0.0	-85.04	427.09	7.55	-77.49
O=C([O-])C(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1CCOCC1	REAL300003743190	1	42	0.0	-80.26	339.65	5.18	-75.08
C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C2CCOCC2)=NO1	REAL300003743212	1	43	0.0	-81.90	338.45	4.72	-77.18
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003743217	0	54	0.0	-76.58	411.17	8.90	-67.68
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C(=O)[O-])C1CCOCC1	REAL300003743217	1	54	0.0	-77.52	405.94	8.81	-68.71
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300003743240	0	55	0.0	-84.71	423.42	8.19	-76.52
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300003743252	0	48	0.0	-79.73	360.89	5.82	-73.91
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1CCOCC1	REAL300003743258	0	51	0.0	-81.03	387.07	7.37	-73.66
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300003743394	0	50	0.0	-67.09	370.19	6.94	-60.15
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300003743394	1	50	0.0	-58.85	358.39	6.90	-51.95
O=C([O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C1CCOCC1	REAL300003743421	1	48	0.0	-60.77	360.24	3.11	-57.66
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300003743592	0	50	0.0	-60.38	352.98	6.74	-53.64
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300003743592	1	50	0.0	-56.77	356.18	6.91	-49.86
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C2CCOCC2)C(C(F)(F)F)C1	REAL300003743593	0	44	0.0	-70.91	345.27	5.42	-65.49
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C2CCOCC2)C(C(F)(F)F)C1	REAL300003743593	1	44	0.0	-69.26	350.86	5.66	-63.60
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2CCOCC2)N1	REAL300003743617	1	45	0.0	-64.35	351.73	4.94	-59.41
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C2CCOCC2)=C1	REAL300003744001	0	50	0.0	-77.52	387.10	8.24	-69.28
C[NH+](C)CCOC1=CC=C(C(=O)NC(C(=O)[O-])C2CCOCC2)C=C1	REAL300003744008	0	51	0.0	-85.57	388.29	7.04	-78.53
O=C([O-])C(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1CCOCC1	REAL300003744090	0	57	0.0	-67.25	426.15	9.87	-57.38
CC1C[N@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCOCC3)C=C2)CCO1	REAL300003744092	1	55	0.0	-87.98	406.41	7.35	-80.63
CC1C[N@@H+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3CCOCC3)C=C2)CCO1	REAL300003744092	1	55	0.0	-82.50	409.09	7.58	-74.92
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2CCOCC2)CC1	REAL300003744120	0	50	0.0	-58.64	353.19	6.36	-52.28
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3CCOCC3)=CN21	REAL300003744125	0	42	0.0	-64.93	335.12	7.20	-57.73
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300003744174	0	53	0.0	-67.15	381.49	7.46	-59.69
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2CCOCC2)C1	REAL300003744174	1	53	0.0	-68.26	382.66	7.35	-60.91
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2CCOCC2)O1	REAL300003744180	1	44	0.0	-81.94	343.84	5.46	-76.48
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1CCOCC1	REAL300003744188	1	46	0.0	-68.14	335.63	6.17	-61.97
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1CCOCC1	REAL300003744188	1	46	0.0	-62.42	340.47	6.80	-55.62
C=CCCCC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003744260	0	53	0.0	-48.79	406.49	11.55	-37.24
C=CCCCC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003744260	1	53	0.0	-48.81	411.97	11.51	-37.30
COC1=CC2=C(C=C1OC)C(C)(C)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300003744363	0	58	0.0	-53.32	420.66	9.92	-43.40
COC1=CC2=C(C=C1OC)C(C)(C)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300003744363	1	58	0.0	-53.81	421.88	9.97	-43.84
CC1=[NH+]C=CN1CCNC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300003744546	1	39	0.0	-77.36	331.19	7.31	-70.05
CC1=[NH+]C=CN1CCNC(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300003744547	1	47	0.0	-81.08	404.70	5.71	-75.37
CC1=[NH+]C=CN1CCNC(=O)C1=CC=CC=C1SCC1=C(C(=O)[O-])C=CO1	REAL300003744548	1	46	0.0	-80.45	396.39	10.05	-70.40
CC1=[NH+]C=CN1CCNC(=O)C1=CC=CC=C1SC(C)C(=O)[O-]	REAL300003744549	1	42	0.0	-77.33	352.93	8.80	-68.53
CCOC1=CC(C(=O)NCCN2C=C[NH+]=C2C)=CC=C1OCC(=O)[O-]	REAL300003744550	1	46	0.0	-76.55	382.18	7.99	-68.56
CC1=[NH+]C=CN1CCNC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300003744551	1	41	0.0	-75.36	346.18	8.53	-66.83
CC1=[NH+]C=CN1CCNC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300003744552	1	43	0.0	-73.68	378.83	3.42	-70.26
CC1=[NH+]C=CN1CCNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300003744553	1	37	0.0	-58.18	328.27	7.71	-50.47
CC1=NN(C2=CC=C(C(=O)NCCN3C=C[NH+]=C3C)C=C2)C(C)=C1CCC(=O)[O-]	REAL300003744554	1	54	0.0	-75.75	439.02	10.67	-65.08
CC1=[NH+]C=CN1CCNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300003744555	1	37	0.0	-58.18	328.27	7.71	-50.47
CC1=[NH+]C=CN1CCNC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C)C=C1	REAL300003744556	1	45	0.0	-77.10	375.11	8.60	-68.50
CC1=[NH+]C=CN1CCNC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300003744557	1	42	0.0	-83.27	357.73	8.64	-74.63
CC1=[NH+]C=CN1CCNC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300003744558	1	41	0.0	-66.98	337.63	8.25	-58.73
CC1=[NH+]C=CN1CCNC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1	REAL300003744559	1	45	0.0	-73.37	375.21	8.88	-64.49
CC1=[NH+]C=CN1CCNC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300003744560	1	35	0.0	-72.88	321.39	7.64	-65.24
CC1=[NH+]C=CN1CCNC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300003744561	1	45	0.0	-67.95	366.27	10.37	-57.58
CC1=[NH+]C=CN1CCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300003744562	1	45	0.0	-72.92	343.67	7.95	-64.97
CC1=[NH+]C=CN1CCNC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300003744563	1	37	0.0	-71.95	321.97	6.34	-65.61
CC1=[NH+]C=CN1CCNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300003744564	1	42	0.0	-76.23	352.26	7.75	-68.48
CC1=[NH+]C=CN1CCNC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300003744565	1	48	0.0	-69.93	379.02	9.93	-60.00
CC1=[NH+]C=CN1CCNC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300003744566	1	39	0.0	-70.98	331.11	7.33	-63.65
CC1=[NH+]C=CN1CCNC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300003744567	1	44	0.0	-79.39	368.28	7.60	-71.79
CC1=[NH+]C=CN1CCNC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300003744568	1	41	0.0	-74.52	335.09	8.57	-65.95
CC1=[NH+]C=CN1CCNC(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300003744569	1	38	0.0	-79.67	332.88	2.78	-76.89
CC1=[NH+]C=CN1CCNC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300003744570	1	41	0.0	-88.71	349.79	6.57	-82.14
CC1=[NH+]C=CN1CCNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300003744571	1	43	0.0	-55.67	331.72	8.12	-47.55
CC1=[NH+]C=CN1CCNC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300003744572	1	42	0.0	-51.13	342.24	9.01	-42.12
CC1=[NH+]C=CN1CCNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300003744573	1	42	0.0	-76.23	352.26	7.75	-68.48
CC1=[NH+]C=CN1CCNC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300003744574	1	42	0.0	-89.13	358.12	9.16	-79.97
CC1=[NH+]C=CN1CCNC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300003744575	1	35	0.0	-69.99	312.59	7.55	-62.44
COC1=CC(C(=O)[O-])=NC(C(=O)NCCN2C=C[NH+]=C2C)=C1	REAL300003744576	1	38	0.0	-56.18	327.96	4.63	-51.55
CC1=[NH+]C=CN1CCNC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300003744577	1	41	0.0	-70.28	343.69	8.62	-61.66
CC1=[NH+]C=CN1CCNC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300003744578	1	39	0.0	-69.19	334.18	7.52	-61.67
CC1=[NH+]C=CN1CCNC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300003744579	1	35	0.0	-71.74	329.92	7.62	-64.12
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NCCN2C=C[NH+]=C2C)=C1	REAL300003744580	1	39	0.0	-73.26	337.81	6.72	-66.54
CC1=[NH+]C=CN1CCNC(=O)C1=C(F)C=CC(C(=O)[O-])=C1C	REAL300003744581	1	38	0.0	-63.53	327.89	7.44	-56.09
CC1=[NH+]C=CN1CCNC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300003744582	1	38	0.0	-78.05	335.28	8.30	-69.75
CC1=[NH+]C=CN1CCNC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300003744583	1	40	0.0	-70.15	333.67	6.50	-63.65
CC1=[NH+]C=CN1CCNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300003744584	1	36	0.0	-61.96	325.28	6.05	-55.91
CC1=[NH+]C=CN1CCNC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300003744585	1	36	0.0	-72.66	325.46	6.19	-66.47
CC1=[NH+]C=CN1CCNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300003744586	1	36	0.0	-63.61	316.63	5.19	-58.42
CC1=[NH+]C=CN1CCNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300003744587	1	38	0.0	-76.49	330.40	6.46	-70.03
CC1=[NH+]C=CN1CCNC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300003744588	1	41	0.0	-77.75	336.11	9.11	-68.64
CC1=[NH+]C=CN1CCNC(=O)CC1=CC=C(C(=O)[O-])C=C1C	REAL300003744589	1	41	0.0	-82.63	341.49	8.18	-74.45
CC1=[NH+]C=CN1CCNC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300003744590	1	38	0.0	-84.25	329.32	7.75	-76.50
CC1=[NH+]C=CN1CCNC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300003744591	1	42	0.0	-64.34	349.12	8.57	-55.77
CC1=[NH+]C=CN1CCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300003744592	1	45	0.0	-72.92	343.67	7.95	-64.97
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2CCC3=CC(Br)=CC=C32)C1	REAL300003744714	0	44	0.0	-47.45	352.53	8.81	-38.64
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2CCC3=CC(Br)=CC=C32)C1	REAL300003744714	1	44	0.0	-47.28	354.34	8.87	-38.41
CC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC(F)(F)C1	REAL300003744838	0	43	0.0	-49.59	325.74	7.23	-42.36
CC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC(F)(F)C1	REAL300003744838	1	43	0.0	-47.96	324.58	6.77	-41.19
CCCCCCCCCCCN(C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003744942	0	63	0.0	-45.72	468.21	13.47	-32.25
CCCCCCCCCCCN(C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003744942	1	63	0.0	-46.44	468.10	13.49	-32.95
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCC3=CC(Br)=CC=C32)C1	REAL300003745070	0	44	0.0	-50.47	360.94	9.29	-41.18
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CCC3=CC(Br)=CC=C32)C1	REAL300003745070	1	44	0.0	-49.27	361.08	9.28	-39.99
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300003746484	0	54	0.0	-82.31	394.54	11.90	-70.41
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C2	REAL300003747254	0	51	0.0	-70.22	374.64	11.31	-58.91
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C2	REAL300003747254	1	51	0.0	-61.51	374.69	10.50	-51.01
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)C2	REAL300003748103	1	51	0.0	-70.45	391.99	11.05	-59.40
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)C2	REAL300003748103	1	51	0.0	-71.79	393.79	11.43	-60.36
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CC[NH+](C3CC3)CC1)C2	REAL300003748178	0	48	0.0	-75.94	347.11	9.75	-66.19
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)CN12	REAL300003748206	1	46	0.0	-67.63	341.07	9.38	-58.25
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C2	REAL300003748207	0	54	0.0	-56.89	396.19	11.52	-45.37
CC1=NC(C[NH+]2CCC(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)CC2)=CS1	REAL300003748283	1	53	0.0	-83.53	404.51	9.78	-73.75
CC(C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)N1CC[NH+](C)CC1	REAL300003748284	1	49	0.0	-76.98	344.71	5.93	-71.05
C[NH+](C)CCOC1=CC=C(CCC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C=C1	REAL300003748368	0	57	0.0	-83.47	433.46	11.23	-72.24
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)=C1	REAL300003748380	0	57	0.0	-82.56	432.03	13.15	-69.41
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CC(C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)[NH+]1CCSCC1	REAL300003748892	1	45	0.0	-68.59	335.50	8.34	-60.25
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003748899	0	50	0.0	-71.22	376.74	10.85	-60.37
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003748899	1	50	0.0	-76.07	376.28	11.37	-64.70
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003748900	0	54	0.0	-74.06	407.56	7.09	-66.97
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003748900	1	54	0.0	-73.61	407.57	7.11	-66.50
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1	REAL300003748904	0	48	0.0	-73.59	344.77	7.41	-66.18
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1	REAL300003748904	1	48	0.0	-64.36	348.37	6.82	-57.54
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CCC[NH+]1CCN(C3=CC=CC=C3)CC1)C2	REAL300003748914	0	59	0.0	-80.74	433.55	10.62	-70.12
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CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003748918	0	52	0.0	-73.62	380.87	10.69	-62.93
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003748918	1	52	0.0	-73.76	380.87	10.70	-63.06
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CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1	REAL300003748963	0	58	0.0	-77.06	415.93	8.45	-68.61
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CC(C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003748983	1	51	0.0	-60.43	374.15	11.29	-49.14
CC(C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003748983	1	51	0.0	-65.65	374.03	10.74	-54.91
CCC(CC)C(C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)[NH+]1CCOCC1	REAL300003749002	1	57	0.0	-67.41	379.17	8.94	-58.47
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CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003749054	0	48	0.0	-74.05	345.17	6.86	-67.19
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O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CC[N@@H+](C3CCCCC3)C1)C2	REAL300003749109	0	54	0.0	-71.25	377.72	10.14	-61.11
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CC[N@H+](C3CCCCC3)C1)C2	REAL300003749109	1	54	0.0	-74.97	380.32	10.15	-64.82
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C13CCC[NH+](CCC1)C3)C2	REAL300003749128	0	48	0.0	-76.31	326.33	8.11	-68.20
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CCC3CCCC[N@@H+]31)C2	REAL300003749132	0	48	0.0	-65.55	336.51	9.58	-55.97
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CCC3CCCC[N@H+]31)C2	REAL300003749132	1	48	0.0	-63.68	336.46	8.83	-54.85
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1C[N@H+](CC3=CC=CC=C3)CC13CCOC3)C2	REAL300003749134	0	59	0.0	-78.10	428.30	10.34	-67.76
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1C[N@@H+](CC3=CC=CC=C3)CC13CCOC3)C2	REAL300003749134	1	59	0.0	-71.66	428.23	10.53	-61.13
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003749141	0	51	0.0	-74.29	350.71	6.93	-67.36
CC(C)[N@@H+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003749146	0	60	0.0	-81.29	431.76	10.67	-70.62
CC(C)[N@H+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C(C2=CN(C)N=C2)C1	REAL300003749146	1	60	0.0	-80.41	417.84	9.41	-71.00
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C=N1	REAL300003749147	0	54	0.0	-86.20	390.67	8.73	-77.47
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C=N1	REAL300003749147	1	54	0.0	-79.27	390.37	9.26	-70.01
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)=C2)CC1	REAL300003749152	0	56	0.0	-69.88	412.61	8.95	-60.93
C[NH+]1CCN(CC2=CC=C(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)C=C2)CC1	REAL300003749153	0	56	0.0	-77.28	410.31	9.46	-67.82
CN1CC[NH+](CC2=CC=C(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)C=C2)CC1	REAL300003749153	1	56	0.0	-89.91	411.82	8.81	-81.10
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C=C1	REAL300003749154	0	57	0.0	-65.76	411.79	10.85	-54.91
CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1	REAL300003749160	0	50	0.0	-77.92	351.23	9.40	-68.52
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1=CC=C(C[NH+]3CCC(CO)CC3)C=C1)C2	REAL300003749274	0	58	0.0	-83.40	424.94	9.19	-74.21
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)=C1	REAL300003749278	0	47	0.0	-77.10	355.34	9.55	-67.55
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300003749279	0	54	0.0	-69.46	390.03	11.53	-57.93
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300003749279	1	54	0.0	-57.27	390.27	11.59	-45.68
C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1	REAL300003749345	0	46	0.0	-80.38	343.20	9.52	-70.86
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003749347	0	50	0.0	-57.37	345.95	9.45	-47.92
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003749347	1	50	0.0	-66.16	355.85	9.81	-56.35
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003749349	0	47	0.0	-73.69	351.89	9.60	-64.09
CC[NH+]1CCN(CCC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1	REAL300003749351	0	52	0.0	-74.93	377.68	7.13	-67.80
CCN1CC[NH+](CCC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1	REAL300003749351	1	52	0.0	-75.81	377.36	7.09	-68.72
CC(C)C(C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)[NH+]1CCCCC1	REAL300003749353	0	53	0.0	-69.08	363.34	10.13	-58.95
C[NH+](C)C(C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)C1=CC=CC=C1	REAL300003749354	1	47	0.0	-61.03	347.56	9.67	-51.36
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1(O)CC[N@H+](CC3=CC=CC=C3)C1)C2	REAL300003749358	0	52	0.0	-57.02	386.50	7.86	-49.16
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1(O)CC[N@@H+](CC3=CC=CC=C3)C1)C2	REAL300003749358	1	52	0.0	-77.24	388.92	7.93	-69.31
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003749364	1	48	0.0	-68.19	363.26	10.08	-58.11
C[NH+](C)CC1=C(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)OC2=CC=CC=C21	REAL300003749365	0	50	0.0	-66.79	373.65	10.28	-56.51
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CCC[N@@H+]1C1CCCC1)C2	REAL300003749370	0	51	0.0	-67.52	357.81	9.79	-57.73
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CCC[N@H+]1C1CCCC1)C2	REAL300003749370	1	51	0.0	-68.60	355.16	10.02	-58.58
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1)C2	REAL300003749398	1	52	0.0	-66.13	390.54	11.24	-54.89
CC(C)C(C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300003749399	1	57	0.0	-68.41	397.50	9.23	-59.18
CC(C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)[NH+]1CCCCCC1	REAL300003749400	0	50	0.0	-65.85	345.91	9.23	-56.62
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)=CC=C1N2	REAL300003749436	1	52	0.0	-99.78	388.63	9.92	-89.86
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)=CC=C1N2	REAL300003749436	1	52	0.0	-99.54	388.63	9.93	-89.61
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)O1	REAL300003749494	0	50	0.0	-75.74	374.92	10.12	-65.62
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+]1CCCC1)C2	REAL300003749495	0	50	0.0	-75.85	369.47	9.71	-66.14
CC1=CC=C(N2CCC(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)CC2)[NH+]=C1	REAL300003749497	1	53	0.0	-73.13	387.33	9.56	-63.57
C[N@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300003749498	1	47	0.0	-76.58	353.80	10.53	-66.05
C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)CC1=CC=CC=C1	REAL300003749498	1	47	0.0	-76.80	353.85	10.53	-66.27
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)C=C2)CC1	REAL300003749502	0	59	0.0	-91.05	417.84	9.65	-81.40
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)C2	REAL300003749516	1	42	0.0	-85.21	333.38	7.52	-77.69
C[NH+](C)CC1=CC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)=NO1	REAL300003749545	1	43	0.0	-82.88	333.37	7.61	-75.27
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003749551	0	54	0.0	-73.97	400.62	11.31	-62.66
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003749551	1	54	0.0	-78.24	398.98	11.75	-66.49
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C=C1	REAL300003749575	0	55	0.0	-81.00	418.58	11.40	-69.60
C[NH+]1CCC(OCC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1	REAL300003749592	0	48	0.0	-84.95	357.56	8.58	-76.37
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1=CC=C(C[NH+]3CCCCC3)O1)C2	REAL300003749598	0	51	0.0	-77.56	379.64	10.54	-67.02
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003749639	0	53	0.0	-77.78	390.58	10.09	-67.69
CC(C)(C)[N@H+]1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003749639	1	53	0.0	-77.92	387.73	9.45	-68.47
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1	REAL300003749783	0	50	0.0	-71.97	358.91	9.20	-62.77
CCC[N@H+]1CCCC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1	REAL300003749783	1	50	0.0	-66.31	352.65	9.37	-56.94
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003749815	0	50	0.0	-67.46	354.62	9.54	-57.92
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	REAL300003749815	1	50	0.0	-65.59	361.78	9.52	-56.07
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCC(CO)CC1)C2	REAL300003749818	0	48	0.0	-75.11	350.69	6.09	-69.02
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)[C@]13CC[C@H]1C[N@H+](CC1=CC=CC=C1)C3)C2	REAL300003749912	0	55	0.0	-79.86	399.43	11.59	-68.27
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)[C@]13CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C3)C2	REAL300003749912	1	55	0.0	-82.25	400.23	12.08	-70.17
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C2	REAL300003749950	1	54	0.0	-74.48	391.37	11.17	-63.31
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C2	REAL300003749950	1	54	0.0	-75.95	402.19	11.57	-64.38
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1	REAL300003750039	0	50	0.0	-60.63	357.70	9.14	-51.49
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1	REAL300003750039	1	50	0.0	-71.46	354.38	8.97	-62.49
C[N@@H+]1CC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003750040	0	44	0.0	-72.91	338.05	7.96	-64.95
C[N@H+]1CC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003750040	1	44	0.0	-75.38	331.39	8.20	-67.18
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)N1	REAL300003750066	1	45	0.0	-68.27	347.84	7.73	-60.54
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)=C1	REAL300003750540	0	50	0.0	-78.17	377.83	10.39	-67.78
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C=C1	REAL300003750546	0	51	0.0	-67.63	381.23	9.80	-57.83
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CC1CC[NH+](CC3=CC=CC=C3)CC1)C2	REAL300003750636	0	57	0.0	-76.92	417.57	12.87	-64.05
CC1C[N@H+](CC2=CC=C(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)C=C2)CCO1	REAL300003750638	1	55	0.0	-83.16	407.67	9.74	-73.42
CC1C[N@@H+](CC2=CC=C(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)C=C2)CCO1	REAL300003750638	1	55	0.0	-93.17	406.40	9.70	-83.47
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1	REAL300003750681	0	50	0.0	-68.39	347.74	8.88	-59.51
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1	REAL300003750747	0	53	0.0	-77.41	380.87	10.09	-67.32
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1	REAL300003750747	1	53	0.0	-77.41	380.87	10.09	-67.32
CN(C)CC1=CC=C(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)O1	REAL300003750752	0	44	0.0	-78.74	338.05	8.67	-70.07
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)O1	REAL300003750752	1	44	0.0	-78.74	338.05	8.67	-70.07
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1	REAL300003750757	0	53	0.0	-78.70	355.46	9.39	-69.31
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1	REAL300003750757	1	53	0.0	-78.70	355.46	9.39	-69.31
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C13CC(C1)C[N@@H+]3C1CC1)C2	REAL300003750760	0	46	0.0	-67.91	332.58	9.71	-58.20
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2C[C@H]2C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003750869	0	47	0.0	-50.90	382.37	9.82	-41.08
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC(F)F	REAL300003750966	0	45	0.0	-46.89	331.38	6.90	-39.99
O=C([O-])[C@@H]1C[C@H](NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C2=CC=CC=C21	REAL300003752184	0	54	0.0	-75.21	414.86	11.93	-63.28
O=C([O-])[C@@H]1C[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C2=CC=CC=C21	REAL300003752868	0	51	0.0	-63.94	390.46	10.78	-53.16
O=C([O-])[C@@H]1C[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C2=CC=CC=C21	REAL300003752868	1	51	0.0	-66.14	398.22	11.36	-54.78
O=C([O-])[C@@H]1C[C@H](NC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C2=CC=CC=C21	REAL300003753706	1	51	0.0	-70.32	414.65	11.88	-58.44
O=C([O-])[C@@H]1C[C@H](NC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C2=CC=CC=C21	REAL300003753706	1	51	0.0	-67.36	402.25	11.11	-56.25
O=C([O-])[C@@H]1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C2=CC=CC=C21	REAL300003753789	0	48	0.0	-69.37	367.70	9.76	-59.61
O=C([O-])[C@@H]1C[C@H](NC(=O)C2CCC[N@@H+]2C2CC2)C2=CC=CC=C21	REAL300003753818	0	45	0.0	-64.02	344.99	8.64	-55.38
O=C([O-])[C@@H]1C[C@H](NC(=O)C2CCC[N@H+]2C2CC2)C2=CC=CC=C21	REAL300003753818	1	45	0.0	-63.16	341.20	9.38	-53.78
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CC[NH+]1CCN(CCC(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])CC1	REAL300003764973	0	52	0.0	-72.53	401.87	6.48	-66.05
CCN1CC[NH+](CCC(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])CC1	REAL300003764973	1	52	0.0	-69.33	402.38	6.51	-62.82
CC(C)C(C(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-])[NH+]1CCCCC1	REAL300003764975	0	53	0.0	-59.52	391.91	9.54	-49.98
C[NH+](C)C(C(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300003764976	1	47	0.0	-61.16	378.44	9.34	-51.82
O=C([O-])[C@@H](CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)OC1=CC=CC=C1	REAL300003764980	0	52	0.0	-66.85	416.83	7.29	-59.56
O=C([O-])[C@@H](CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)OC1=CC=CC=C1	REAL300003764980	1	52	0.0	-66.09	416.98	7.27	-58.82
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300003764986	1	48	0.0	-63.01	389.19	9.00	-54.01
C[NH+](C)CC1=C(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])OC2=CC=CC=C21	REAL300003764987	0	50	0.0	-62.16	403.03	9.67	-52.49
O=C([O-])[C@@H](CNC(=O)C1CCC[N@@H+]1C1CCCC1)OC1=CC=CC=C1	REAL300003764992	0	51	0.0	-63.85	379.98	9.23	-54.62
O=C([O-])[C@@H](CNC(=O)C1CCC[N@H+]1C1CCCC1)OC1=CC=CC=C1	REAL300003764992	1	51	0.0	-60.77	387.05	9.23	-51.54
CC[N@H+](CC(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300003764994	0	44	0.0	-61.76	350.17	7.84	-53.92
CC[N@@H+](CC(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-])C1CC1	REAL300003764994	1	44	0.0	-60.71	348.81	7.66	-53.05
CC(C)C(C(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300003765023	1	57	0.0	-61.40	421.15	8.90	-52.50
CC(C(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-])[NH+]1CCCCCC1	REAL300003765024	0	50	0.0	-62.95	368.24	8.54	-54.41
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC[C@@H](OC3=CC=CC=C3)C(=O)[O-])=CC=C1N2	REAL300003765066	1	52	0.0	-80.62	416.72	9.77	-70.85
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC[C@@H](OC3=CC=CC=C3)C(=O)[O-])=CC=C1N2	REAL300003765066	1	52	0.0	-80.34	416.93	9.75	-70.59
CC[NH+](CC)CC1=CC=C(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])O1	REAL300003765117	0	50	0.0	-74.64	399.71	8.76	-65.88
O=C([O-])[C@@H](CNC(=O)CCCC[NH+]1CCCC1)OC1=CC=CC=C1	REAL300003765118	0	50	0.0	-72.34	395.11	9.16	-63.18
CC1=CC=C(N2CCC(C(=O)NC[C@@H](OC3=CC=CC=C3)C(=O)[O-])CC2)[NH+]=C1	REAL300003765120	1	53	0.0	-69.90	417.82	8.94	-60.96
C[N@H+](CC(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300003765121	1	47	0.0	-68.28	380.43	9.45	-58.83
C[N@@H+](CC(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300003765121	1	47	0.0	-68.17	380.49	9.44	-58.73
CC(C)[C@@H](C(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-])[NH+](C)C	REAL300003765132	0	46	0.0	-64.02	352.46	8.02	-56.00
O=C([O-])[C@@H](CNC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)OC1=CC=CC=C1	REAL300003765150	1	42	0.0	-77.93	363.08	7.30	-70.63
C[NH+](C)CC1=CC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=NO1	REAL300003765180	1	43	0.0	-79.64	361.89	6.83	-72.81
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300003765184	0	54	0.0	-74.50	428.48	10.83	-63.67
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300003765184	1	54	0.0	-72.08	425.81	10.93	-61.15
CC(C)[N@@H+]1CCCC1C(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300003765200	0	47	0.0	-60.91	362.73	7.98	-52.93
CC(C)[N@H+]1CCCC1C(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300003765200	1	47	0.0	-60.75	362.58	7.97	-52.78
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300003765208	0	55	0.0	-79.82	446.30	10.34	-69.48
C[NH+]1CCC(OCC(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])CC1	REAL300003765227	0	48	0.0	-77.51	383.73	7.94	-69.57
O=C([O-])[C@@H](CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)OC1=CC=CC=C1	REAL300003765232	0	51	0.0	-75.95	409.93	9.54	-66.41
CCC[N@@H+]1CCCC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C1	REAL300003765430	0	50	0.0	-61.16	381.24	9.08	-52.08
CCC[N@H+]1CCCC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C1	REAL300003765430	1	50	0.0	-60.99	381.27	9.08	-51.91
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300003765463	0	50	0.0	-61.56	382.82	8.53	-53.03
CC(C)C[N@H+]1CCCC1C(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300003765463	1	50	0.0	-61.26	387.32	9.02	-52.24
O=C([O-])[C@@H](CNC(=O)C[NH+]1CCC(CO)CC1)OC1=CC=CC=C1	REAL300003765464	1	48	0.0	-67.54	378.38	5.08	-62.46
O=C([O-])[C@@H](CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)OC1=CC=CC=C1	REAL300003765572	0	55	0.0	-71.01	432.66	11.35	-59.66
O=C([O-])[C@@H](CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)OC1=CC=CC=C1	REAL300003765572	1	55	0.0	-72.09	433.34	11.37	-60.72
CC(C)[N@@H+]1CCCC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C1	REAL300003765706	0	50	0.0	-60.53	376.42	8.86	-51.67
CC(C)[N@H+]1CCCC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C1	REAL300003765706	1	50	0.0	-66.26	382.68	8.65	-57.61
C[N@@H+]1CC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003765707	0	44	0.0	-70.59	367.13	7.68	-62.91
C[N@H+]1CC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003765707	1	44	0.0	-71.17	361.17	7.36	-63.81
CC1=C(C)[NH+]=C(CCC(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])N1	REAL300003765732	1	45	0.0	-63.91	374.01	7.14	-56.77
C[NH+](C)CCC1=CC=CC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300003766239	0	50	0.0	-77.23	404.40	10.18	-67.05
C[NH+](C)CCOC1=CC=C(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300003766246	0	51	0.0	-80.07	411.73	9.12	-70.95
O=C([O-])[C@@H](CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)OC1=CC=CC=C1	REAL300003766344	0	57	0.0	-70.19	443.48	11.78	-58.41
CC1CN(CC2=CC=C(C(=O)NC[C@@H](OC3=CC=CC=C3)C(=O)[O-])C=C2)CCO1	REAL300003766346	0	55	0.0	-82.22	429.26	9.51	-72.71
CC1C[N@H+](CC2=CC=C(C(=O)NC[C@@H](OC3=CC=CC=C3)C(=O)[O-])C=C2)CCO1	REAL300003766346	1	55	0.0	-82.34	429.29	9.51	-72.83
CC1C[N@@H+](CC2=CC=C(C(=O)NC[C@@H](OC3=CC=CC=C3)C(=O)[O-])C=C2)CCO1	REAL300003766346	1	55	0.0	-82.34	429.29	9.51	-72.83
C[NH+](C)[C@H]1C[C@H](C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C1	REAL300003766391	0	44	0.0	-70.36	353.31	7.57	-62.79
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])CC1	REAL300003766395	0	50	0.0	-64.82	376.08	8.54	-56.28
CC1=[NH+]C=C2C=CC(C(=O)NC[C@@H](OC3=CC=CC=C3)C(=O)[O-])=CN21	REAL300003766399	0	42	0.0	-66.44	355.36	9.13	-57.31
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C1	REAL300003766466	0	53	0.0	-66.91	404.96	9.56	-57.35
CC(C)C[N@H+]1CCCC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C1	REAL300003766466	1	53	0.0	-68.00	405.36	9.62	-58.38
CC[N@@H+]1CCCC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C1	REAL300003766467	0	47	0.0	-67.33	366.03	8.14	-59.19
CC[N@H+]1CCCC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C1	REAL300003766467	1	47	0.0	-60.77	359.75	8.34	-52.43
C[N@@H+]1CCCC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C1	REAL300003766471	0	44	0.0	-69.35	348.38	7.49	-61.86
C[N@H+]1CCCC(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C1	REAL300003766471	1	44	0.0	-61.10	342.09	7.70	-53.40
C[NH+](C)CC1=CC=C(C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])O1	REAL300003766473	1	44	0.0	-77.48	368.31	7.66	-69.82
C[N@@H+]1CCCC(C(C)(C)C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C1	REAL300003766479	0	53	0.0	-74.40	393.77	8.98	-65.42
C[N@H+]1CCCC(C(C)(C)C(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C1	REAL300003766479	1	53	0.0	-74.34	393.78	8.97	-65.37
O=C([O-])[C@@H](CNC(=O)C12CC(C1)C[N@H+]2C1CC1)OC1=CC=CC=C1	REAL300003766482	1	46	0.0	-64.35	361.61	9.20	-55.15
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C1(F)F	REAL300003767810	0	47	0.0	-77.87	375.39	9.37	-68.50
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C1(F)F	REAL300003768583	0	44	0.0	-62.45	352.47	8.31	-54.14
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C1(F)F	REAL300003768583	1	44	0.0	-64.86	358.35	8.85	-56.01
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C1(F)F	REAL300003769418	1	44	0.0	-69.60	376.67	9.40	-60.20
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C1(F)F	REAL300003769418	1	44	0.0	-65.62	369.24	8.82	-56.80
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)C1(F)F	REAL300003769491	0	41	0.0	-72.80	324.00	7.06	-65.74
CC1=[NH+]C=C2CCC(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)CN12	REAL300003769516	1	39	0.0	-64.34	322.22	6.92	-57.42
O=C([O-])[C@@H]1[C@H](CNC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C1(F)F	REAL300003769517	0	47	0.0	-65.02	377.98	9.32	-55.70
CC1=NC(C[NH+]2CCC(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)CC2)=CS1	REAL300003769589	1	46	0.0	-77.73	383.09	7.18	-70.55
CC(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)N1CC[NH+](C)CC1	REAL300003769590	1	42	0.0	-69.55	325.54	4.01	-65.54
C[NH+](C)CCOC1=CC=C(CCC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C=C1	REAL300003769673	0	50	0.0	-77.87	408.67	8.93	-68.94
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)=C1	REAL300003769687	0	50	0.0	-77.72	409.46	11.26	-66.46
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)=C1	REAL300003769687	1	50	0.0	-78.65	409.45	11.26	-67.39
CC1(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003769688	0	50	0.0	-66.01	388.09	9.77	-56.24
C[NH+](C)CC1(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CCCCC1	REAL300003769772	0	46	0.0	-70.50	338.94	7.87	-62.63
C[N@H+](CCC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1CCCCC1	REAL300003769775	0	46	0.0	-71.14	353.00	7.79	-63.35
C[N@@H+](CCC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1CCCCC1	REAL300003769775	1	46	0.0	-71.30	353.01	7.78	-63.52
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C1(F)F	REAL300003769800	1	47	0.0	-66.71	369.30	9.21	-57.50
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C1(F)F	REAL300003769800	1	47	0.0	-67.84	370.21	9.24	-58.60
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C1(F)F	REAL300003769801	1	44	0.0	-70.58	366.35	8.95	-61.63
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C1(F)F	REAL300003769801	1	44	0.0	-66.32	358.91	8.37	-57.95
O=C([O-])[C@@H]1[C@H](CNC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C1(F)F	REAL300003769862	0	40	0.0	-80.63	343.84	6.80	-73.83
C[NH+](C)CCN1N=CC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)=C1C1=CC=CC=C1	REAL300003769867	0	50	0.0	-78.26	411.18	8.97	-69.29
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCCC[N@@H+]2C2CCCC2)C1(F)F	REAL300003769892	0	47	0.0	-61.59	346.30	8.08	-53.51
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCCC[N@H+]2C2CCCC2)C1(F)F	REAL300003769892	1	47	0.0	-60.54	352.15	7.99	-52.55
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C1(F)F	REAL300003769893	0	48	0.0	-78.65	366.31	6.47	-72.18
CC1=[NH+]C=CN1CCCC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003769923	1	38	0.0	-68.89	325.61	7.09	-61.80
O=C([O-])[C@@H]1[C@H](CNC(=O)CCCC[NH+]2CCOCC2)C1(F)F	REAL300003769924	1	44	0.0	-76.06	352.86	5.78	-70.28
CC[N@H+](CC1=CC=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C=C1)C(C)C	REAL300003769926	0	49	0.0	-78.35	378.35	9.12	-69.23
CC[N@@H+](CC1=CC=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C=C1)C(C)C	REAL300003769926	1	49	0.0	-79.79	372.37	8.98	-70.81
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C1(F)F	REAL300003769951	0	44	0.0	-70.77	359.26	8.66	-62.11
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C1(F)F	REAL300003769951	1	44	0.0	-69.79	359.62	8.69	-61.10
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CC[NH+](C3CCSC3)CC2)C1(F)F	REAL300003769952	0	45	0.0	-79.34	354.38	7.83	-71.51
C[NH+]1CCN(C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C2=CC=CC=C2)CC1	REAL300003769980	1	49	0.0	-68.02	387.99	7.48	-60.54
O=C([O-])[C@@H]1[C@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1(F)F	REAL300003769981	0	48	0.0	-71.33	351.34	6.03	-65.30
CC(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)[N@H+](C)CC1=CC=CC=C1	REAL300003769984	0	43	0.0	-67.05	349.52	8.17	-58.88
CC(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)[N@@H+](C)CC1=CC=CC=C1	REAL300003769984	1	43	0.0	-67.52	349.58	8.16	-59.36
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C1(F)F	REAL300003769995	0	50	0.0	-73.62	398.23	10.24	-63.38
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C1(F)F	REAL300003769995	1	50	0.0	-63.40	392.00	10.44	-52.96
C[NH+](C)CC1=CC=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C=N1	REAL300003770025	0	39	0.0	-77.92	328.53	5.82	-72.10
CCC[NH+](CCC)CCCC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770036	0	48	0.0	-71.69	372.67	8.11	-63.58
O=C([O-])[C@@H]1[C@H](CNC(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C1(F)F	REAL300003770037	1	48	0.0	-63.57	382.65	6.14	-57.43
CC[N@H+](C)C(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1=CC=CC=C1	REAL300003770038	0	43	0.0	-61.69	347.75	8.30	-53.39
CC[N@@H+](C)C(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1=CC=CC=C1	REAL300003770038	1	43	0.0	-60.80	347.98	8.31	-52.49
CC[NH+](CC)C(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1=CC=CC=C1	REAL300003770043	0	46	0.0	-64.75	353.99	8.68	-56.07
CC(C)C1=[NH+]C=CN1CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770049	1	38	0.0	-62.74	320.35	6.91	-55.83
C[NH+](C)C(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1=CC=C(Cl)C=C1	REAL300003770051	1	40	0.0	-66.61	346.01	8.21	-58.40
O=C([O-])[C@@H]1[C@H](CNC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C1(F)F	REAL300003770065	0	44	0.0	-81.39	356.92	8.76	-72.63
O=C([O-])[C@@H]1[C@H](CNC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C1(F)F	REAL300003770072	0	47	0.0	-73.46	374.32	9.51	-63.95
CCN1CCC([NH+]2CCC(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)CC2)CC1	REAL300003770079	0	55	0.0	-75.71	409.42	7.13	-68.58
CC1C[NH+](CC2=CC=C(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)C=C2)CC(C)O1	REAL300003770086	1	51	0.0	-84.72	408.03	8.61	-76.11
O=C([O-])[C@@H]1[C@H](CNC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C1(F)F	REAL300003770096	1	48	0.0	-82.47	382.15	8.69	-73.78
O=C([O-])[C@@H]1[C@H](CNC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C1(F)F	REAL300003770096	1	48	0.0	-80.14	388.88	8.72	-71.42
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C1(F)F	REAL300003770110	0	47	0.0	-63.05	362.89	9.14	-53.91
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C1(F)F	REAL300003770110	1	47	0.0	-63.14	373.21	9.33	-53.81
CC1=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C=NN1C1=CC=[NH+]C=C1	REAL300003770112	1	38	0.0	-79.07	328.75	6.03	-73.04
O=C([O-])[C@@H]1[C@H](CNC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C1(F)F	REAL300003770120	0	47	0.0	-81.88	374.29	9.52	-72.36
O=C([O-])[C@@H]1[C@H](CNC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C1(F)F	REAL300003770132	1	40	0.0	-76.13	337.99	6.31	-69.82
C[NH+](C)CCC1=CC=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C=C1	REAL300003770133	0	43	0.0	-84.32	355.23	8.50	-75.82
O=C([O-])[C@@H]1[C@H](CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C1(F)F	REAL300003770144	1	45	0.0	-81.22	368.70	8.21	-73.01
O=C([O-])[C@@H]1[C@H](CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C1(F)F	REAL300003770144	1	45	0.0	-79.97	368.67	8.20	-71.77
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770151	0	54	0.0	-63.40	418.78	11.01	-52.39
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770151	1	54	0.0	-60.94	411.60	10.72	-50.22
CC(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003770158	0	53	0.0	-64.79	412.82	10.65	-54.14
CC(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)[NH+]1CCSCC1	REAL300003770194	1	38	0.0	-65.81	309.95	6.02	-59.79
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770201	0	43	0.0	-69.35	353.72	8.63	-60.72
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770201	1	43	0.0	-69.30	353.72	8.63	-60.67
COCCOCC[N@H+](C)CCC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770202	0	47	0.0	-70.64	382.72	4.81	-65.83
COCCOCC[N@@H+](C)CCC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770202	1	47	0.0	-72.18	382.76	4.81	-67.37
C[N@@H+]1CCCC(O)(CC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1	REAL300003770205	0	41	0.0	-69.74	322.04	4.63	-65.11
C[N@H+]1CCCC(O)(CC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1	REAL300003770205	1	41	0.0	-64.02	324.90	4.55	-59.47
O=C([O-])[C@@H]1[C@H](CNC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C1(F)F	REAL300003770213	0	52	0.0	-76.70	408.37	8.28	-68.42
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C1(F)F	REAL300003770214	1	46	0.0	-66.83	357.88	7.40	-59.43
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C1(F)F	REAL300003770214	1	46	0.0	-67.98	358.83	7.44	-60.54
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C1(F)F	REAL300003770215	1	46	0.0	-69.29	368.22	7.56	-61.73
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C1(F)F	REAL300003770215	1	46	0.0	-64.11	368.09	7.48	-56.63
CCCCCC[N@H+](C)CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770217	0	45	0.0	-67.40	358.32	7.95	-59.45
CCCCCC[N@@H+](C)CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770217	1	45	0.0	-67.37	358.31	7.94	-59.43
C[N@H+](CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1CCSC1	REAL300003770244	0	38	0.0	-71.60	313.98	6.41	-65.19
C[N@@H+](CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1CCSC1	REAL300003770244	1	38	0.0	-69.53	313.89	6.42	-63.11
CC(C)[NH+]1CCN(CCC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1	REAL300003770255	0	48	0.0	-72.76	364.82	4.98	-67.78
CC(C)N1CC[NH+](CCC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1	REAL300003770255	1	48	0.0	-70.76	369.76	5.39	-65.37
CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1	REAL300003770256	0	51	0.0	-71.03	387.50	5.93	-65.10
CC(C)N1CC[NH+](CCCC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1	REAL300003770256	1	51	0.0	-72.39	390.83	6.14	-66.25
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCCC3CCC[N@@H+]32)C1(F)F	REAL300003770257	0	41	0.0	-63.23	310.10	6.70	-56.53
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCCC3CCC[N@H+]32)C1(F)F	REAL300003770257	1	41	0.0	-64.12	311.22	6.76	-57.36
C[NH+](C)CCN1C=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C=N1	REAL300003770259	0	40	0.0	-79.78	338.92	5.68	-74.10
CC1=CC=CC(N2CC[NH+](CCC(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)CC2)=C1	REAL300003770265	0	52	0.0	-74.78	408.31	8.16	-66.62
O=C([O-])[C@@H]1[C@H](CNC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C1(F)F	REAL300003770267	0	49	0.0	-74.77	386.88	7.49	-67.28
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C1(F)F	REAL300003770271	0	46	0.0	-71.87	370.67	7.52	-64.35
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C1(F)F	REAL300003770271	1	46	0.0	-72.43	370.61	7.61	-64.82
CC(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003770276	1	44	0.0	-66.46	349.62	8.74	-57.72
CC(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)[N@H+]1CCC2=CC=CC=C2C1	REAL300003770276	1	44	0.0	-66.46	349.66	8.74	-57.72
O=C([O-])[C@@H]1[C@H](CNC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C1(F)F	REAL300003770303	0	47	0.0	-76.21	379.68	9.41	-66.80
O=C([O-])[C@@H]1[C@H](CNC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C1(F)F	REAL300003770303	1	47	0.0	-75.50	378.13	9.32	-66.18
C[NH+](C)CCN1C=CC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)=N1	REAL300003770316	0	40	0.0	-85.56	339.29	5.70	-79.86
C[NH+](C)CCN1N=CC=C1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770317	0	40	0.0	-60.03	334.15	5.65	-54.38
CCC1=[NH+]C=CN1C(C)CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770323	1	41	0.0	-64.47	340.56	7.39	-57.08
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C1(F)F	REAL300003770337	0	47	0.0	-71.98	382.18	9.44	-62.54
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C1(F)F	REAL300003770337	1	47	0.0	-71.31	375.85	9.64	-61.67
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C1(F)F	REAL300003770338	1	43	0.0	-63.05	348.25	6.66	-56.39
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C1(F)F	REAL300003770338	1	43	0.0	-61.63	348.11	6.48	-55.15
CC(C[NH+]1CCOCC1)C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770342	0	41	0.0	-61.80	325.31	5.05	-56.75
O=C([O-])[C@@H]1[C@H](CNC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C1(F)F	REAL300003770343	0	48	0.0	-74.90	384.61	6.90	-68.00
CN1C=CN=C1C[NH+]1CCC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1	REAL300003770391	1	47	0.0	-82.63	370.87	7.58	-75.05
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CC[N@@H+](C3CCCCC3)C2)C1(F)F	REAL300003770392	0	47	0.0	-69.39	360.47	8.14	-61.25
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CC[N@H+](C3CCCCC3)C2)C1(F)F	REAL300003770392	1	47	0.0	-70.32	361.22	8.08	-62.24
O=C([O-])[C@@H]1[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1(F)F	REAL300003770411	0	41	0.0	-70.34	311.98	6.38	-63.96
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC3CCCC[N@@H+]32)C1(F)F	REAL300003770415	0	41	0.0	-61.28	322.46	7.13	-54.15
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC3CCCC[N@H+]32)C1(F)F	REAL300003770415	1	41	0.0	-61.11	322.28	7.14	-53.97
O=C([O-])[C@@H]1[C@H](CNC(=O)C2C[N@H+](CC3=CC=CC=C3)CC23CCOC3)C1(F)F	REAL300003770417	0	52	0.0	-72.53	409.42	8.33	-64.20
O=C([O-])[C@@H]1[C@H](CNC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC23CCOC3)C1(F)F	REAL300003770417	1	52	0.0	-75.44	408.36	8.21	-67.23
CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770424	0	44	0.0	-69.11	336.72	5.38	-63.73
CC(C)[N@@H+]1CCC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C(C2=CN(C)N=C2)C1	REAL300003770429	0	53	0.0	-79.63	405.82	7.67	-71.96
CC(C)[N@H+]1CCC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C(C2=CN(C)N=C2)C1	REAL300003770429	1	53	0.0	-72.02	397.38	7.44	-64.58
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C=N1	REAL300003770430	0	47	0.0	-77.88	361.75	6.27	-71.61
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C=N1	REAL300003770430	1	47	0.0	-81.32	378.61	7.02	-74.30
C[NH+]1CCN(CC2=CC=CC(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)=C2)CC1	REAL300003770435	0	49	0.0	-77.49	391.36	7.08	-70.41
C[NH+]1CCN(CC2=CC=C(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)C=C2)CC1	REAL300003770436	0	49	0.0	-78.93	391.36	7.09	-71.84
CN1CC[NH+](CC2=CC=C(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)C=C2)CC1	REAL300003770436	1	49	0.0	-82.82	390.82	6.97	-75.85
CC[NH+](CC)CCOC1=CC=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C=C1	REAL300003770437	0	50	0.0	-80.67	397.73	8.79	-71.88
CC(C)[NH+]1CCC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1	REAL300003770444	0	43	0.0	-72.80	333.50	7.04	-65.76
O=C([O-])[C@@H]1[C@H](CNC(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1(F)F	REAL300003770552	0	51	0.0	-85.30	405.98	6.83	-78.47
C[NH+](C)CC1=CC=CC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)=C1	REAL300003770556	0	40	0.0	-74.68	332.70	7.66	-67.02
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1(F)F	REAL300003770557	0	47	0.0	-68.17	374.78	9.34	-58.83
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1(F)F	REAL300003770557	1	47	0.0	-68.69	375.69	9.37	-59.32
C#CC[NH+]1CCC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1	REAL300003770619	0	39	0.0	-77.83	324.36	7.05	-70.78
CCC[N@@H+]1CCCCC1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770621	0	43	0.0	-64.04	326.44	7.01	-57.03
CCC[N@H+]1CCCCC1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770621	1	43	0.0	-63.52	326.44	7.01	-56.51
C[NH+](C)CC1=CC=CC=C1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770623	0	40	0.0	-54.36	325.47	7.89	-46.47
CC[NH+]1CCN(CCC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1	REAL300003770625	0	45	0.0	-73.78	353.19	4.85	-68.93
CCN1CC[NH+](CCC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1	REAL300003770625	1	45	0.0	-70.65	352.03	4.72	-65.93
CC(C)C(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)[NH+]1CCCCC1	REAL300003770627	0	46	0.0	-60.89	343.60	7.61	-53.28
C[NH+](C)C(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)C1=CC=CC=C1	REAL300003770628	1	40	0.0	-62.79	328.36	7.64	-55.15
O=C([O-])[C@@H]1[C@H](CNC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1(F)F	REAL300003770632	0	45	0.0	-67.23	368.56	5.62	-61.61
O=C([O-])[C@@H]1[C@H](CNC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1(F)F	REAL300003770632	1	45	0.0	-67.95	367.85	5.65	-62.30
CC(C)C1=[NH+]C=CN1CCC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770638	1	41	0.0	-63.90	340.02	7.34	-56.56
C[NH+](C)CC1=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)OC2=CC=CC=C21	REAL300003770639	0	43	0.0	-57.92	353.87	8.01	-49.91
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@@H+]2C2CCCC2)C1(F)F	REAL300003770643	0	44	0.0	-62.83	341.77	7.82	-55.01
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCC[N@H+]2C2CCCC2)C1(F)F	REAL300003770643	1	44	0.0	-67.03	331.07	7.55	-59.48
CC(C)C(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)[NH+]1CC(C)OC(C)C1	REAL300003770670	1	50	0.0	-62.40	380.51	7.17	-55.23
CC(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)[NH+]1CCCCCC1	REAL300003770671	0	43	0.0	-60.98	320.94	6.79	-54.19
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)=CC=C1N2	REAL300003770702	1	45	0.0	-79.76	367.74	8.09	-71.67
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)=CC=C1N2	REAL300003770702	1	45	0.0	-79.83	367.61	8.10	-71.73
CC[NH+](CC)CC1=CC=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)O1	REAL300003770756	0	43	0.0	-75.81	354.02	7.31	-68.50
O=C([O-])[C@@H]1[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1(F)F	REAL300003770757	0	43	0.0	-72.91	345.92	7.50	-65.41
CC1=CC=C(N2CCC(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)CC2)[NH+]=C1	REAL300003770758	1	46	0.0	-71.85	368.62	7.27	-64.58
C[N@H+](CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)CC1=CC=CC=C1	REAL300003770759	1	40	0.0	-70.47	331.25	7.78	-62.69
C[N@@H+](CC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)CC1=CC=CC=C1	REAL300003770759	1	40	0.0	-70.50	331.20	7.78	-62.72
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)C=C2)CC1	REAL300003770762	0	52	0.0	-80.62	400.77	8.02	-72.60
O=C([O-])[C@@H]1[C@H](CNC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1(F)F	REAL300003770775	1	35	0.0	-78.10	313.91	5.63	-72.47
C[NH+](C)CC1=CC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)=NO1	REAL300003770804	1	36	0.0	-77.91	312.64	5.14	-72.77
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770810	0	47	0.0	-77.69	379.32	9.24	-68.45
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003770810	1	47	0.0	-76.64	380.18	9.27	-67.37
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C=C1	REAL300003770829	0	48	0.0	-81.33	396.13	8.60	-72.73
C[NH+]1CCC(OCC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1	REAL300003770845	0	41	0.0	-79.20	334.55	6.29	-72.91
O=C([O-])[C@@H]1[C@H](CNC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1(F)F	REAL300003770849	0	44	0.0	-77.34	358.72	7.73	-69.61
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)[C@@H](C(F)(F)F)C1	REAL300003770888	0	46	0.0	-72.98	368.51	7.39	-65.59
CC(C)(C)[N@H+]1C[C@H](C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)[C@@H](C(F)(F)F)C1	REAL300003770888	1	46	0.0	-66.07	367.66	7.46	-58.61
CCC[N@@H+]1CCCC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1	REAL300003771028	0	43	0.0	-68.39	337.38	7.17	-61.22
CCC[N@H+]1CCCC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1	REAL300003771028	1	43	0.0	-68.51	338.32	7.21	-61.30
CC(C)C[N@@H+]1CCCC1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003771059	0	43	0.0	-64.28	332.56	6.79	-57.49
CC(C)C[N@H+]1CCCC1C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F	REAL300003771059	1	43	0.0	-63.03	338.14	7.36	-55.67
O=C([O-])[C@@H]1[C@H](CNC(=O)C[NH+]2CCC(CO)CC2)C1(F)F	REAL300003771062	1	41	0.0	-69.69	328.00	3.36	-66.33
O=C([O-])[C@@H]1[C@H](CNC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1(F)F	REAL300003771154	0	48	0.0	-77.51	383.29	9.65	-67.86
O=C([O-])[C@@H]1[C@H](CNC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1(F)F	REAL300003771154	1	48	0.0	-74.84	384.34	9.66	-65.18
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1(F)F	REAL300003771191	1	47	0.0	-63.90	370.22	9.24	-54.66
O=C([O-])[C@@H]1[C@H](CNC(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1(F)F	REAL300003771191	1	47	0.0	-69.66	370.24	9.24	-60.42
CC(C)[N@@H+]1CCCC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1	REAL300003771276	0	43	0.0	-67.12	333.46	6.98	-60.14
CC(C)[N@H+]1CCCC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1	REAL300003771276	1	43	0.0	-66.96	333.52	6.98	-59.98
C[N@@H+]1CC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C(C(F)(F)F)C1	REAL300003771277	0	37	0.0	-75.11	309.07	5.91	-69.20
C[N@H+]1CC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C(C(F)(F)F)C1	REAL300003771277	1	37	0.0	-74.69	311.75	5.74	-68.95
CC1=C(C)[NH+]=C(CCC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)N1	REAL300003771303	1	38	0.0	-64.80	324.84	5.47	-59.33
C[NH+](C)CCC1=CC=CC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)=C1	REAL300003771752	0	43	0.0	-76.29	355.24	8.50	-67.79
C[NH+](C)CCOC1=CC=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C=C1	REAL300003771758	0	44	0.0	-80.50	362.53	7.45	-73.05
O=C([O-])[C@@H]1[C@H](CNC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1(F)F	REAL300003771847	0	50	0.0	-69.34	394.36	10.13	-59.21
CC1C[N@H+](CC2=CC=C(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)C=C2)CCO1	REAL300003771849	1	48	0.0	-84.63	386.83	7.87	-76.76
CC1C[N@@H+](CC2=CC=C(C(=O)NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)C=C2)CCO1	REAL300003771849	1	48	0.0	-84.61	386.83	7.87	-76.74
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1	REAL300003771887	0	43	0.0	-64.12	326.89	6.89	-57.23
CC(C)C[N@@H+]1CCCC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1	REAL300003771949	0	46	0.0	-60.89	348.54	8.07	-52.82
CC(C)C[N@H+]1CCCC(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1	REAL300003771949	1	46	0.0	-60.89	348.54	8.07	-52.82
CN(C)CC1=CC=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)O1	REAL300003771954	0	37	0.0	-79.49	319.15	5.99	-73.50
C[NH+](C)CC1=CC=C(C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)O1	REAL300003771954	1	37	0.0	-79.49	319.15	5.99	-73.50
C[N@@H+]1CCCC(C(C)(C)C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1	REAL300003771959	0	46	0.0	-75.47	336.95	6.86	-68.61
C[N@H+]1CCCC(C(C)(C)C(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)C1	REAL300003771959	1	46	0.0	-75.47	336.95	6.86	-68.61
O=C([O-])[C@@H]1[C@H](CNC(=O)C23CC(C2)C[N@@H+]3C2CC2)C1(F)F	REAL300003771962	0	39	0.0	-69.08	312.44	7.61	-61.47
COC1=CC=C(C2CC2)C=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003772069	0	51	0.0	-46.50	388.26	8.82	-37.68
COC1=CC=C(C2CC2)C=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003772069	1	51	0.0	-47.55	394.46	8.84	-38.71
CC1(C)C(C2=CC=C(F)C(F)=C2)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003772185	0	53	0.0	-51.74	391.04	11.34	-40.40
CC1(C)C(C2=CC=C(F)C(F)=C2)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003772185	1	53	0.0	-54.57	392.84	11.41	-43.16
O=C([O-])C1=CC=C2CN(C(=O)C3CC[NH+](CC4=CC=CC=C4)CC3)CCC2=C1	REAL300003773409	0	54	0.0	-87.56	407.83	12.74	-74.82
O=C([O-])C1=CC=C2CN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=C3)CCC2=C1	REAL300003774093	0	51	0.0	-79.91	393.01	12.38	-67.53
O=C([O-])C1=CC=C2CN(C(=O)C3CCC[N@H+]3CC3=CC=CC=C3)CCC2=C1	REAL300003774093	1	51	0.0	-77.53	391.78	12.32	-65.21
O=C([O-])C1=CC=C2CN(C(=O)C3CCC[N@@H+]3CC3=CC=C(Cl)C=C3)CCC2=C1	REAL300003774931	1	51	0.0	-84.10	409.90	12.89	-71.21
O=C([O-])C1=CC=C2CN(C(=O)C3CCC[N@H+]3CC3=CC=C(Cl)C=C3)CCC2=C1	REAL300003774931	1	51	0.0	-82.46	404.88	12.46	-70.00
O=C([O-])C1=CC=C2CN(C(=O)C3CC[NH+](C4CC4)CC3)CCC2=C1	REAL300003775014	0	48	0.0	-83.00	356.52	10.44	-72.56
O=C([O-])C1=CC=C2CN(C(=O)C3CCC[N@@H+]3C3CC3)CCC2=C1	REAL300003775043	0	45	0.0	-73.36	346.99	10.20	-63.16
O=C([O-])C1=CC=C2CN(C(=O)C3CCC[N@H+]3C3CC3)CCC2=C1	REAL300003775043	1	45	0.0	-74.54	340.80	10.03	-64.51
CC1=[NH+]C=C2CCC(C(=O)N3CCC4=CC(C(=O)[O-])=CC=C4C3)CN12	REAL300003775049	1	46	0.0	-74.16	354.94	10.27	-63.89
O=C([O-])C1=CC=C2CN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)CCC2=C1	REAL300003775050	0	54	0.0	-77.16	404.31	12.40	-64.76
CC1=NC(C[NH+]2CCC(C(=O)N3CCC4=CC(C(=O)[O-])=CC=C4C3)CC2)=CS1	REAL300003775129	1	53	0.0	-86.54	415.59	10.56	-75.98
C[N@@H+]1CCCCC1C(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300003775130	0	44	0.0	-74.02	332.00	9.42	-64.60
C[N@H+]1CCCCC1C(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300003775130	1	44	0.0	-77.81	331.18	9.37	-68.44
CC(C(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1)N1CC[NH+](C)CC1	REAL300003775131	1	49	0.0	-79.40	361.15	7.49	-71.91
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300003775174	0	44	0.0	-74.07	331.98	9.42	-64.65
C[N@H+]1CCCC[C@H]1C(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300003775174	1	44	0.0	-76.78	320.52	8.93	-67.85
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)C=C1	REAL300003775219	0	57	0.0	-82.21	445.69	12.66	-69.55
CC1(C(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003775231	0	57	0.0	-75.11	414.90	12.89	-62.22
C[NH+]1CCC(C(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)CC1	REAL300003775265	0	44	0.0	-85.67	331.65	9.22	-76.45
O=C([O-])C1=CC=C2CN(C(=O)C3=CN4C=[NH+]C=C4C=C3)CCC2=C1	REAL300003775290	0	39	0.0	-83.88	326.40	11.20	-72.68
C[NH+](C)CC1(C(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)CCCCC1	REAL300003775324	0	53	0.0	-87.78	365.42	11.27	-76.51
C[N@H+](CCC(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1)C1CCCCC1	REAL300003775329	0	53	0.0	-82.57	390.00	11.51	-71.06
C[N@@H+](CCC(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1)C1CCCCC1	REAL300003775329	1	53	0.0	-83.17	390.03	11.50	-71.67
O=C([O-])C1=CC=C2CN(C(=O)C3CCCC[N@@H+]3CC3=CC=C(F)C=C3)CCC2=C1	REAL300003775347	1	54	0.0	-82.59	414.78	13.04	-69.55
O=C([O-])C1=CC=C2CN(C(=O)C3CCCC[N@H+]3CC3=CC=C(F)C=C3)CCC2=C1	REAL300003775347	1	54	0.0	-86.34	407.02	12.79	-73.55
O=C([O-])C1=CC=C2CN(C(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)CCC2=C1	REAL300003775348	1	51	0.0	-85.20	399.58	12.44	-72.76
O=C([O-])C1=CC=C2CN(C(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)CCC2=C1	REAL300003775348	1	51	0.0	-83.47	394.55	12.01	-71.46
C[NH+]1CCC(C(=O)N2CCC3=CC(C(=O)[O-])=CC=C3C2)CC1	REAL300003775399	0	44	0.0	-85.67	331.65	9.22	-76.45
O=C([O-])C1=CC=C2CN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)CCC2=C1	REAL300003775404	0	47	0.0	-84.92	377.85	10.09	-74.83
O=C([O-])C1=CC=C2CN(C(=O)C3CCCC[N@@H+]3C3CCCC3)CCC2=C1	REAL300003775428	0	54	0.0	-74.42	386.14	11.55	-62.87
O=C([O-])C1=CC=C2CN(C(=O)C3CCCC[N@H+]3C3CCCC3)CCC2=C1	REAL300003775428	1	54	0.0	-76.82	384.31	11.59	-65.23
O=C([O-])C1=CC=C2CN(C(=O)C3CCC([NH+]4CCOCC4)CC3)CCC2=C1	REAL300003775429	0	55	0.0	-85.92	398.88	9.84	-76.08
CC1=[NH+]C=CN1CCCC(=O)N1CCC2=CC(C(=O)[O-])=CC=C2C1	REAL300003775462	1	45	0.0	-77.91	362.57	10.81	-67.10
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COC1=CC=CC2=C1OCCCC2NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003778186	0	52	0.0	-47.33	388.51	8.83	-38.50
COC1=CC=CC2=C1OCCCC2NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003778186	1	52	0.0	-48.05	389.75	8.84	-39.21
CC(C)OC1=CC(Cl)=CC=C1CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003778325	0	50	0.0	-47.13	395.46	8.82	-38.31
CC(C)OC1=CC(Cl)=CC=C1CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003778325	1	50	0.0	-48.25	401.64	8.82	-39.43
CC1(C)C2=CC=CC=C2CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003778437	0	50	0.0	-44.84	355.62	10.28	-34.56
CC1(C)C2=CC=CC=C2CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003778437	1	50	0.0	-48.51	363.02	10.73	-37.78
O=C([O-])C1(O)CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300003779815	0	51	0.0	-74.79	382.26	8.31	-66.48
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300003780592	0	48	0.0	-65.08	362.67	7.69	-57.39
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300003780592	1	48	0.0	-60.30	358.29	7.33	-52.97
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300003781394	1	48	0.0	-66.02	375.08	7.87	-58.15
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300003781394	1	48	0.0	-67.80	377.23	8.08	-59.72
CC1=[NH+]C=C2CCC(C(=O)N3CCC(O)(C(=O)[O-])CC3)CN12	REAL300003781486	1	43	0.0	-61.64	328.60	5.77	-55.87
O=C([O-])C1(O)CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300003781487	0	51	0.0	-62.91	371.42	7.59	-55.32
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(O)(C(=O)[O-])CC3)CC2)=CS1	REAL300003781552	1	50	0.0	-71.05	389.63	6.41	-64.64
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(O)(C(=O)[O-])CC2)C=C1	REAL300003781630	0	54	0.0	-73.82	415.84	8.02	-65.80
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(O)(C(=O)[O-])CC2)=C1	REAL300003781644	0	54	0.0	-74.39	415.35	9.96	-64.43
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(O)(C(=O)[O-])CC2)=C1	REAL300003781644	1	54	0.0	-74.12	416.40	9.99	-64.13
CC1(C(=O)N2CCC(O)(C(=O)[O-])CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003781645	0	54	0.0	-63.62	386.80	8.32	-55.30
C[NH+](C)CC1(C(=O)N2CCC(O)(C(=O)[O-])CC2)CCCCC1	REAL300003781728	0	50	0.0	-59.96	333.65	5.98	-53.98
C[N@H+](CCC(=O)N1CCC(O)(C(=O)[O-])CC1)C1CCCCC1	REAL300003781731	0	50	0.0	-69.80	360.19	6.85	-62.95
C[N@@H+](CCC(=O)N1CCC(O)(C(=O)[O-])CC1)C1CCCCC1	REAL300003781731	1	50	0.0	-69.88	360.19	6.86	-63.02
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300003781755	1	51	0.0	-63.73	385.49	8.44	-55.29
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300003781755	1	51	0.0	-62.39	384.76	8.38	-54.01
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300003781756	1	48	0.0	-66.79	364.76	7.42	-59.37
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300003781756	1	48	0.0	-68.86	366.90	7.62	-61.24
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC1	REAL300003781810	0	44	0.0	-73.74	349.64	5.50	-68.24
C[NH+](C)CCN1N=CC(C(=O)N2CCC(O)(C(=O)[O-])CC2)=C1C1=CC=CC=C1	REAL300003781815	0	54	0.0	-74.62	419.25	7.71	-66.91
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC1	REAL300003781841	0	51	0.0	-59.15	357.04	6.97	-52.18
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@H+]2C2CCCC2)CC1	REAL300003781841	1	51	0.0	-59.98	356.82	6.97	-53.01
O=C([O-])C1(O)CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1	REAL300003781842	0	52	0.0	-73.58	372.96	5.37	-68.21
O=C([O-])C1(O)CCN(C(=O)CCCC[NH+]2CCOCC2)CC1	REAL300003781870	1	48	0.0	-73.52	360.05	4.85	-68.67
CC[N@H+](CC1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])CC2)C=C1)C(C)C	REAL300003781872	0	53	0.0	-75.84	380.13	7.66	-68.18
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])CC2)C=C1)C(C)C	REAL300003781872	1	53	0.0	-73.84	379.53	7.58	-66.26
O=C([O-])C1(O)CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300003781896	0	48	0.0	-69.32	361.18	7.47	-61.85
O=C([O-])C1(O)CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300003781896	1	48	0.0	-70.91	366.11	7.64	-63.27
O=C([O-])C1(O)CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300003781897	0	49	0.0	-76.90	365.29	7.01	-69.89
C[NH+]1CCN(C(C(=O)N2CCC(O)(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300003781920	1	53	0.0	-70.16	391.79	6.28	-63.88
O=C([O-])C1(O)CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	REAL300003781921	0	52	0.0	-68.91	358.52	5.13	-63.78
CC(C(=O)N1CCC(O)(C(=O)[O-])CC1)[N@H+](C)CC1=CC=CC=C1	REAL300003781924	0	47	0.0	-64.30	353.69	7.14	-57.16
CC(C(=O)N1CCC(O)(C(=O)[O-])CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300003781924	1	47	0.0	-63.02	354.20	7.13	-55.89
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC1	REAL300003781934	0	54	0.0	-72.33	404.89	9.19	-63.14
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC1	REAL300003781934	1	54	0.0	-72.19	404.81	9.18	-63.01
C[NH+](C)CC1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])CC2)C=N1	REAL300003781965	0	43	0.0	-74.11	334.39	4.42	-69.69
CCC[NH+](CCC)CCCC(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003781976	0	52	0.0	-69.78	384.36	7.46	-62.32
O=C([O-])C1(O)CCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CC1	REAL300003781977	0	52	0.0	-63.00	385.64	5.01	-57.99
CC[N@H+](C)C(C(=O)N1CCC(O)(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300003781978	0	47	0.0	-57.55	349.66	7.10	-50.45
CC[N@@H+](C)C(C(=O)N1CCC(O)(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300003781978	1	47	0.0	-61.87	350.73	7.12	-54.75
CC[NH+](CC)C(C(=O)N1CCC(O)(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300003781983	0	50	0.0	-58.40	359.75	7.37	-51.03
C[NH+](C)C(C(=O)N1CCC(O)(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300003781989	1	44	0.0	-66.62	350.32	7.04	-59.58
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300003782003	0	48	0.0	-75.62	363.42	7.52	-68.10
O=C([O-])C1(O)CCN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC1	REAL300003782010	0	51	0.0	-69.82	381.03	8.23	-61.59
CCC(C(=O)N1CCC(O)(C(=O)[O-])CC1)[N@@H+]1CCOC(CC)C1	REAL300003782013	1	51	0.0	-62.72	366.39	5.24	-57.48
CCC(C(=O)N1CCC(O)(C(=O)[O-])CC1)[N@H+]1CCOC(CC)C1	REAL300003782013	1	51	0.0	-63.25	367.49	5.34	-57.91
CCN1CCC([NH+]2CCC(C(=O)N3CCC(O)(C(=O)[O-])CC3)CC2)CC1	REAL300003782016	0	59	0.0	-71.74	416.34	6.07	-65.67
CC1C[NH+](CC2=CC=C(C(=O)N3CCC(O)(C(=O)[O-])CC3)C=C2)CC(C)O1	REAL300003782023	1	55	0.0	-78.46	413.50	7.25	-71.21
O=C([O-])C1(O)CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300003782032	1	52	0.0	-74.87	385.76	7.25	-67.62
O=C([O-])C1(O)CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300003782032	1	52	0.0	-77.75	396.09	7.78	-69.97
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300003782046	0	51	0.0	-59.98	379.05	8.38	-51.60
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300003782046	1	51	0.0	-64.03	370.83	7.99	-56.04
CC1=C(C(=O)N2CCC(O)(C(=O)[O-])CC2)C=NN1C1=CC=[NH+]C=C1	REAL300003782048	1	42	0.0	-76.24	336.81	4.78	-71.46
O=C([O-])C1(O)CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300003782056	0	51	0.0	-77.05	381.39	8.26	-68.79
O=C([O-])C1(O)CCN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC1	REAL300003782068	1	44	0.0	-76.09	343.40	5.72	-70.37
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])CC2)C=C1	REAL300003782069	0	47	0.0	-78.13	361.10	7.21	-70.92
O=C([O-])C1(O)CCN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300003782077	1	49	0.0	-73.12	364.44	6.86	-66.26
O=C([O-])C1(O)CCN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300003782077	1	49	0.0	-73.02	364.47	6.85	-66.17
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003782083	0	58	0.0	-61.32	428.07	8.80	-52.52
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003782083	1	58	0.0	-59.85	420.78	8.54	-51.31
CC(C(=O)N1CCC(O)(C(=O)[O-])CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003782091	0	57	0.0	-65.53	410.11	9.35	-56.18
CC(C(=O)N1CCC(O)(C(=O)[O-])CC1)[NH+]1CCSCC1	REAL300003782123	1	42	0.0	-65.04	319.53	5.18	-59.86
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003782130	0	47	0.0	-69.89	360.94	7.65	-62.24
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003782130	1	47	0.0	-69.82	360.89	7.65	-62.17
COCCOCC[N@H+](C)CCC(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003782131	0	51	0.0	-70.08	389.94	3.87	-66.21
COCCOCC[N@@H+](C)CCC(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003782131	1	51	0.0	-71.42	389.96	3.89	-67.53
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(O)(C(=O)[O-])CC2)C1	REAL300003782134	0	45	0.0	-63.01	322.31	3.39	-59.62
C[N@H+]1CCCC(O)(CC(=O)N2CCC(O)(C(=O)[O-])CC2)C1	REAL300003782134	1	45	0.0	-62.28	332.03	3.60	-58.68
O=C([O-])C1(O)CCN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300003782142	0	56	0.0	-75.12	416.10	7.39	-67.73
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC1	REAL300003782143	1	50	0.0	-69.70	366.16	6.26	-63.44
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC1	REAL300003782143	1	50	0.0	-62.76	372.87	6.54	-56.22
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)CC1	REAL300003782144	1	50	0.0	-67.18	373.71	6.58	-60.60
O=C([O-])C1(O)CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)CC1	REAL300003782144	1	50	0.0	-64.90	362.61	5.96	-58.94
CCCCCC[N@H+](C)CC(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003782145	0	49	0.0	-67.21	365.48	6.96	-60.25
CCCCCC[N@@H+](C)CC(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003782145	1	49	0.0	-67.31	365.53	6.97	-60.34
C[N@H+](CC(=O)N1CCC(O)(C(=O)[O-])CC1)C1CCSC1	REAL300003782169	0	42	0.0	-69.78	321.27	5.44	-64.34
C[N@@H+](CC(=O)N1CCC(O)(C(=O)[O-])CC1)C1CCSC1	REAL300003782169	1	42	0.0	-70.03	321.03	5.44	-64.59
CC(C)[NH+]1CCN(CCC(=O)N2CCC(O)(C(=O)[O-])CC2)CC1	REAL300003782180	0	52	0.0	-69.18	377.10	4.42	-64.76
CC(C)N1CC[NH+](CCC(=O)N2CCC(O)(C(=O)[O-])CC2)CC1	REAL300003782180	1	52	0.0	-69.60	373.63	4.24	-65.36
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(O)(C(=O)[O-])CC2)CC1	REAL300003782181	0	55	0.0	-68.31	398.64	5.24	-63.07
CC(C)N1CC[NH+](CCCC(=O)N2CCC(O)(C(=O)[O-])CC2)CC1	REAL300003782181	1	55	0.0	-70.86	398.04	5.21	-65.65
C[NH+](C)CCN1C=C(C(=O)N2CCC(O)(C(=O)[O-])CC2)C=N1	REAL300003782183	0	44	0.0	-75.01	344.21	4.40	-70.61
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(O)(C(=O)[O-])CC3)CC2)=C1	REAL300003782188	0	56	0.0	-73.97	416.01	7.27	-66.70
O=C([O-])C1(O)CCN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300003782190	0	53	0.0	-73.92	394.58	6.61	-67.31
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300003782194	0	50	0.0	-70.98	368.31	6.63	-64.35
O=C([O-])C1(O)CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300003782194	1	50	0.0	-69.93	377.11	6.46	-63.47
CC(C(=O)N1CCC(O)(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003782199	0	48	0.0	-64.43	355.64	7.51	-56.92
CC(C(=O)N1CCC(O)(C(=O)[O-])CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003782199	1	48	0.0	-65.43	355.41	7.53	-57.90
CC(C(=O)N1CCC(O)(C(=O)[O-])CC1)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300003782201	1	53	0.0	-68.78	394.78	6.38	-62.40
CCC(CC)C(C(=O)N1CCC(O)(C(=O)[O-])CC1)[NH+]1CCOCC1	REAL300003782214	1	54	0.0	-62.88	365.50	5.04	-57.84
O=C([O-])C1(O)CCN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300003782227	0	51	0.0	-73.38	384.83	8.41	-64.97
O=C([O-])C1(O)CCN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300003782227	1	51	0.0	-73.85	387.25	8.51	-65.34
C[NH+](C)CCN1C=CC(C(=O)N2CCC(O)(C(=O)[O-])CC2)=N1	REAL300003782239	0	44	0.0	-80.32	343.23	4.99	-75.33
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003782240	0	44	0.0	-63.41	339.49	4.41	-59.00
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(O)(C(=O)[O-])CC1	REAL300003782245	1	45	0.0	-62.71	347.74	6.48	-56.23
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCC(O)(C(=O)[O-])CC2)=NN1	REAL300003782248	1	45	0.0	-75.16	339.21	4.27	-70.89
C[N@H+]1CCCC1C1=CC(C(=O)N2CCC(O)(C(=O)[O-])CC2)=NN1	REAL300003782248	1	45	0.0	-75.39	337.31	4.02	-71.37
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C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(O)(C(=O)[O-])CC3)=CC=C1N2	REAL300003782585	1	49	0.0	-76.77	373.93	6.80	-69.97
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(O)(C(=O)[O-])CC2)O1	REAL300003782638	0	47	0.0	-71.13	357.86	6.30	-64.83
CC1=CC=C(N2CCC(C(=O)N3CCC(O)(C(=O)[O-])CC3)CC2)[NH+]=C1	REAL300003782639	1	50	0.0	-67.03	375.40	6.20	-60.83
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CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(O)(C(=O)[O-])CC2)C1	REAL300003783720	0	50	0.0	-62.01	350.68	6.87	-55.14
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C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(O)(C(=O)[O-])CC2)C1	REAL300003783728	1	50	0.0	-74.22	336.41	5.40	-68.82
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CC1=[NH+]C=C2CCC(C(=O)N3C4=CC=CC=C4CC3CC(=O)[O-])CN21	REAL300003786043	1	46	0.0	-67.21	342.90	11.59	-55.62
CC1=NC(C[NH+]2CCC(C(=O)N3C4=CC=CC=C4CC3CC(=O)[O-])CC2)=CS1	REAL300003786106	1	53	0.0	-81.07	403.29	11.65	-69.42
CC(C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])N1CC[NH+](C)CC1	REAL300003786107	1	49	0.0	-71.53	346.83	8.34	-63.19
C[N@@H+]1CCCC[C@H]1C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786140	0	44	0.0	-49.74	316.52	10.58	-39.16
C[N@H+]1CCCC[C@H]1C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786140	1	44	0.0	-62.89	310.13	9.63	-53.26
C[NH+](C)CCOC1=CC=C(CCC(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C=C1	REAL300003786178	0	57	0.0	-80.15	440.69	12.88	-67.27
C[NH+]1CCC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC1	REAL300003786211	0	44	0.0	-79.40	319.37	10.33	-69.07
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C[NH+](C)CC1(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CCCCC1	REAL300003786264	0	53	0.0	-78.87	358.69	11.30	-67.57
C[N@H+](CCC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])C1CCCCC1	REAL300003786268	0	53	0.0	-75.84	384.59	11.75	-64.09
C[N@@H+](CCC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])C1CCCCC1	REAL300003786268	1	53	0.0	-75.61	385.14	11.73	-63.88
C[NH+]1CCC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC1	REAL300003786324	0	44	0.0	-79.40	319.37	10.33	-69.07
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CC1=[NH+]C=CN1CCCC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786371	1	45	0.0	-72.32	357.68	11.05	-61.27
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CCCC[NH+]1CCOCC1	REAL300003786372	1	51	0.0	-80.21	384.97	9.72	-70.49
CC[N@H+](CC1=CC=C(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C=C1)C(C)C	REAL300003786374	0	56	0.0	-91.64	412.58	12.92	-78.72
CC[N@@H+](CC1=CC=C(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C=C1)C(C)C	REAL300003786374	1	56	0.0	-88.19	405.82	13.21	-74.98
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003786405	0	51	0.0	-67.00	378.41	13.16	-53.84
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O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003786406	0	52	0.0	-80.58	381.79	12.51	-68.07
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003786433	0	55	0.0	-74.65	383.45	9.98	-64.67
CCC(C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])[NH+](CC)CC	REAL300003786437	0	49	0.0	-54.05	339.61	10.74	-43.31
CC(C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003786439	0	50	0.0	-47.39	369.27	12.55	-34.84
CC(C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003786439	1	50	0.0	-47.21	369.49	12.57	-34.64
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003786448	0	57	0.0	-57.78	413.75	14.83	-42.95
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003786448	1	57	0.0	-57.06	412.42	14.85	-42.21
C[NH+](C)CC1=CC=C(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C=N1	REAL300003786461	0	46	0.0	-89.69	356.50	10.55	-79.14
CCC[NH+](CCC)CCCC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786467	0	55	0.0	-75.76	408.64	12.35	-63.41
CC(C)C1=[NH+]C=CN1CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786476	1	45	0.0	-63.42	351.85	10.81	-52.61
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O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003786497	0	54	0.0	-92.78	401.74	14.40	-78.38
CCN1CCC([NH+]2CCC(C(=O)N3C4=CC=CC=C4CC3CC(=O)[O-])CC2)CC1	REAL300003786502	0	62	0.0	-75.03	426.19	11.57	-63.46
C[NH+](C)CC1(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC1	REAL300003786504	0	44	0.0	-66.10	325.39	10.30	-55.80
C[NH+](C)CCCCC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786513	0	46	0.0	-78.61	352.09	10.28	-68.33
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003786522	1	55	0.0	-87.79	414.28	12.57	-75.22
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003786522	1	55	0.0	-84.16	421.09	12.63	-71.53
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C[NH+](C)CCC1=CC=C(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C=C1	REAL300003786550	0	50	0.0	-98.34	386.64	13.49	-84.85
C[N@H+](CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])C1CCC1	REAL300003786576	0	44	0.0	-65.83	332.40	10.06	-55.77
C[N@@H+](CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])C1CCC1	REAL300003786576	1	44	0.0	-66.23	332.30	10.04	-56.19
CC(C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])[NH+]1CCSCC1	REAL300003786599	1	45	0.0	-59.79	334.81	10.76	-49.03
C[N@H+](CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])CC(C)(C)C	REAL300003786605	0	49	0.0	-68.48	353.32	10.47	-58.01
C[N@@H+](CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])CC(C)(C)C	REAL300003786605	1	49	0.0	-67.92	356.70	10.60	-57.32
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786607	0	50	0.0	-71.78	385.31	12.50	-59.28
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786607	1	50	0.0	-71.72	385.32	12.50	-59.22
COCCOCC[N@H+](C)CCC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786608	0	54	0.0	-74.29	414.62	8.77	-65.52
COCCOCC[N@@H+](C)CCC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786608	1	54	0.0	-76.53	414.91	8.76	-67.77
C[N@@H+]1CCCC(O)(CC(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C1	REAL300003786611	0	48	0.0	-74.15	354.17	8.52	-65.63
C[N@H+]1CCCC(O)(CC(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C1	REAL300003786611	1	48	0.0	-67.49	356.91	8.43	-59.06
CCCCCC[N@H+](C)CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786622	0	52	0.0	-70.15	389.91	11.82	-58.33
CCCCCC[N@@H+](C)CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786622	1	52	0.0	-70.23	389.90	11.82	-58.41
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300003786636	1	39	0.0	-84.80	316.64	12.66	-72.14
C[N@H+](CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])C1CCSC1	REAL300003786650	0	45	0.0	-73.11	346.19	10.30	-62.81
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CC(C)[NH+]1CCN(CCC(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC1	REAL300003786664	0	55	0.0	-75.66	401.54	9.33	-66.33
CC(C)[NH+]1CCN(CCCC(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC1	REAL300003786665	0	58	0.0	-72.93	423.59	10.12	-62.81
CC(C)N1CC[NH+](CCCC(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC1	REAL300003786665	1	58	0.0	-77.14	419.35	9.91	-67.23
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C[NH+](C)CCN1C=C(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C=N1	REAL300003786668	0	47	0.0	-91.88	364.61	10.25	-81.63
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003786672	0	56	0.0	-79.73	418.98	11.49	-68.24
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003786674	0	53	0.0	-69.33	386.95	12.56	-56.77
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003786674	1	53	0.0	-70.06	393.06	12.43	-57.63
CC(C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003786679	1	51	0.0	-61.50	374.85	13.18	-48.32
CC(C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003786679	1	51	0.0	-59.41	373.09	13.32	-46.09
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003786698	0	54	0.0	-81.42	411.00	13.36	-68.06
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003786698	1	54	0.0	-81.46	412.18	13.36	-68.10
C[NH+](C)CCN1C=CC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])=N1	REAL300003786711	0	47	0.0	-103.66	363.20	10.74	-92.92
C[NH+](C)CCN1N=CC=C1C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786712	0	47	0.0	-50.90	366.73	10.29	-40.61
C[C@@H]1[C@H](C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC[N@@H+]1C	REAL300003786714	0	44	0.0	-73.69	314.91	10.25	-63.44
C[C@@H]1[C@H](C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC[N@H+]1C	REAL300003786714	1	44	0.0	-61.91	326.00	10.10	-51.81
CCC1=[NH+]C=CN1C(C)CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786715	1	48	0.0	-68.03	372.14	11.34	-56.69
CC[C@@H]1[C@@H](C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC[N@@H+]1C	REAL300003786718	0	47	0.0	-71.74	333.81	10.70	-61.04
CC[C@@H]1[C@@H](C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC[N@H+]1C	REAL300003786718	1	47	0.0	-72.56	339.02	11.15	-61.41
C[N@@H+]1CCCC1C1=CC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])=NN1	REAL300003786721	1	48	0.0	-92.04	368.11	10.55	-81.49
C[N@H+]1CCCC1C1=CC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])=NN1	REAL300003786721	1	48	0.0	-91.93	367.41	10.66	-81.27
CC1C[N@H+](C)CC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])O1	REAL300003786728	1	45	0.0	-84.59	327.61	9.71	-74.88
CC1C[N@@H+](C)CC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])O1	REAL300003786728	1	45	0.0	-84.10	322.41	8.97	-75.13
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003786732	0	54	0.0	-64.90	397.43	14.27	-50.63
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003786732	1	54	0.0	-69.98	404.64	14.35	-55.63
CC(C[NH+]1CCOCC1)C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786737	1	48	0.0	-73.88	349.46	9.76	-64.12
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003786738	0	55	0.0	-79.07	416.70	10.91	-68.16
CC1CC[NH+](CC(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC1	REAL300003786750	0	47	0.0	-68.96	349.68	10.53	-58.43
CC[N@@H+]1CCOC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C1	REAL300003786763	1	45	0.0	-82.17	331.15	9.60	-72.57
CC[N@H+]1CCOC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C1	REAL300003786763	1	45	0.0	-82.26	330.19	9.58	-72.68
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003786795	0	54	0.0	-67.01	381.08	12.69	-54.32
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003786795	1	54	0.0	-66.70	381.15	12.92	-53.78
C[N@@H+]1CCCC1CCC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786802	0	47	0.0	-78.52	347.24	10.39	-68.13
C[N@H+]1CCCC1CCC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786802	1	47	0.0	-73.97	347.83	10.16	-63.81
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1CCC2CCCC[N@@H+]21	REAL300003786813	0	48	0.0	-42.68	341.73	10.18	-32.50
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1CCC2CCCC[N@H+]21	REAL300003786813	1	48	0.0	-59.14	345.65	12.09	-47.05
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C4=CC=CC=C4CC3CC(=O)[O-])=C2)CC1	REAL300003786826	0	56	0.0	-83.91	423.40	12.11	-71.80
C[NH+]1CCN(CC2=CC=C(C(=O)N3C4=CC=CC=C4CC3CC(=O)[O-])C=C2)CC1	REAL300003786827	0	56	0.0	-89.81	420.78	12.10	-77.71
CN1CC[NH+](CC2=CC=C(C(=O)N3C4=CC=CC=C4CC3CC(=O)[O-])C=C2)CC1	REAL300003786827	1	56	0.0	-95.04	422.70	11.98	-83.06
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C=C1	REAL300003786829	0	57	0.0	-91.13	424.89	13.06	-78.07
CC(C)[NH+]1CCC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC1	REAL300003786837	0	50	0.0	-74.86	350.03	11.27	-63.59
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C12CC[NH+](CC1)C2	REAL300003786903	0	42	0.0	-77.73	301.51	9.12	-68.61
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C12CC[N@H+](C1)CCC2	REAL300003786911	0	45	0.0	-75.65	308.48	9.64	-66.01
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C12CC[N@@H+](C1)CCC2	REAL300003786911	1	45	0.0	-87.41	306.15	9.73	-77.68
CC1CCC(C)[NH+]1CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003786951	0	47	0.0	-64.24	342.83	9.96	-54.28
C[NH+](C)CC1=CC=CC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])=C1	REAL300003786952	0	47	0.0	-94.63	364.68	12.68	-81.95
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003786953	0	54	0.0	-62.64	391.20	14.01	-48.63
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003786953	1	54	0.0	-60.71	392.51	14.38	-46.33
C#CC[NH+]1CCC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC1	REAL300003787006	0	46	0.0	-80.95	345.64	11.79	-69.16
CC[NH+]1CCN(CCC(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC1	REAL300003787008	0	52	0.0	-78.30	383.11	8.63	-69.67
CCN1CC[NH+](CCC(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC1	REAL300003787008	1	52	0.0	-74.68	385.33	8.80	-65.88
CC(C)C1=[NH+]C=CN1CCC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003787015	1	48	0.0	-66.65	372.14	11.27	-55.38
CC[N@H+](CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])C1CC1	REAL300003787021	0	44	0.0	-64.06	335.33	10.10	-53.96
CC[N@@H+](CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])C1CC1	REAL300003787021	1	44	0.0	-39.86	334.54	10.94	-28.92
CC(C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])[NH+]1CCCCCC1	REAL300003787047	0	50	0.0	-37.30	344.72	11.38	-25.92
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C4=CC=CC=C4CC3CC(=O)[O-])=CC=C1N2	REAL300003787082	1	52	0.0	-94.39	399.85	13.11	-81.28
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C4=CC=CC=C4CC3CC(=O)[O-])=CC=C1N2	REAL300003787082	1	52	0.0	-94.17	400.46	13.12	-81.05
CC[NH+](CC)CC1=CC=C(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])O1	REAL300003787123	0	50	0.0	-88.83	382.09	12.16	-76.67
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CCCC[NH+]1CCCC1	REAL300003787124	0	50	0.0	-77.11	377.51	11.46	-65.65
CC1=CC=C(N2CCC(C(=O)N3C4=CC=CC=C4CC3CC(=O)[O-])CC2)[NH+]=C1	REAL300003787126	1	53	0.0	-80.03	390.36	12.07	-67.96
C[N@H+](CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])CC1=CC=CC=C1	REAL300003787127	1	47	0.0	-73.06	362.84	11.67	-61.39
C[N@@H+](CC(=O)N1C2=CC=CC=C2CC1CC(=O)[O-])CC1=CC=CC=C1	REAL300003787127	1	47	0.0	-73.01	362.84	11.67	-61.34
C[NH+](C)CC1=CC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])=NO1	REAL300003787171	1	43	0.0	-87.08	341.01	10.52	-76.56
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003787175	0	54	0.0	-40.23	398.70	12.57	-27.66
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003787175	1	54	0.0	-73.67	401.21	14.00	-59.67
CC(C)[N@@H+]1CCCC1C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003787190	0	47	0.0	-59.30	337.47	11.07	-48.23
CC(C)[N@H+]1CCCC1C(=O)N1C2=CC=CC=C2CC1CC(=O)[O-]	REAL300003787190	1	47	0.0	-60.42	335.88	10.72	-49.70
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C=C1	REAL300003787198	0	55	0.0	-85.35	430.31	12.59	-72.76
C[NH+]1CCC(OCC(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC1	REAL300003787211	0	48	0.0	-82.19	366.66	10.26	-71.93
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003787216	0	51	0.0	-89.60	387.70	12.91	-76.69
CCC[N@@H+]1CCCC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C1	REAL300003787369	0	50	0.0	-69.92	360.90	12.13	-57.79
CCC[N@H+]1CCCC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C1	REAL300003787369	1	50	0.0	-56.93	354.06	12.10	-44.83
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C[NH+]1CCC(CO)CC1	REAL300003787396	1	48	0.0	-69.24	360.52	7.23	-62.01
CC(C)[N@@H+]1CCCC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C1	REAL300003787579	0	50	0.0	-56.96	350.01	12.01	-44.95
CC(C)[N@H+]1CCCC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C1	REAL300003787579	1	50	0.0	-67.22	353.73	11.46	-55.76
C[N@@H+]1CC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300003787580	0	44	0.0	-44.41	326.38	9.42	-34.99
C[N@H+]1CC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C(C(F)(F)F)C1	REAL300003787580	1	44	0.0	-68.10	333.59	10.04	-58.06
CC1=C(C)[NH+]=C(CCC(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])N1	REAL300003787603	1	45	0.0	-67.94	356.43	9.43	-58.51
C[NH+](C)CCC1=CC=CC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])=C1	REAL300003788002	0	50	0.0	-90.33	383.08	13.39	-76.94
C[NH+](C)CCOC1=CC=C(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C=C1	REAL300003788010	0	51	0.0	-92.94	394.46	12.47	-80.47
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003788099	0	57	0.0	-73.31	425.90	14.07	-59.24
CC1C[N@H+](CC2=CC=C(C(=O)N3C4=CC=CC=C4CC3CC(=O)[O-])C=C2)CCO1	REAL300003788101	1	55	0.0	-96.75	412.11	12.86	-83.89
CC1C[N@@H+](CC2=CC=C(C(=O)N3C4=CC=CC=C4CC3CC(=O)[O-])C=C2)CCO1	REAL300003788101	1	55	0.0	-92.14	411.11	12.74	-79.40
C[NH+](C)[C@H]1C[C@H](C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C1	REAL300003788129	0	44	0.0	-70.79	329.27	10.88	-59.91
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])CC1	REAL300003788133	0	50	0.0	-65.57	348.11	11.36	-54.21
CC1=[NH+]C=C2C=CC(C(=O)N3C4=CC=CC=C4CC3CC(=O)[O-])=CN21	REAL300003788137	0	42	0.0	-74.35	334.14	12.37	-61.98
CC(C)C[N@@H+]1CCCC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C1	REAL300003788187	0	53	0.0	-70.77	378.42	12.44	-58.33
CC(C)C[N@H+]1CCCC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C1	REAL300003788187	1	53	0.0	-59.15	372.58	12.54	-46.61
CC[N@@H+]1CCCC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C1	REAL300003788188	0	47	0.0	-69.50	339.41	11.39	-58.11
CC[N@H+]1CCCC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C1	REAL300003788188	1	47	0.0	-67.60	337.10	10.94	-56.66
C[N@@H+]1CCCC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C1	REAL300003788192	0	44	0.0	-55.24	315.84	10.84	-44.40
C[N@H+]1CCCC(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])C1	REAL300003788192	1	44	0.0	-74.28	322.35	10.76	-63.52
C[NH+](C)CC1=CC=C(C(=O)N2C3=CC=CC=C3CC2CC(=O)[O-])O1	REAL300003788194	1	44	0.0	-93.47	344.28	11.15	-82.32
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003788202	0	46	0.0	-68.58	335.60	11.59	-56.99
O=C([O-])CC1CC2=CC=CC=C2N1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300003788202	1	46	0.0	-69.81	330.35	11.92	-57.89
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003789293	0	56	0.0	-64.40	389.64	11.31	-53.09
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CC[NH+](C2CC2)CC1	REAL300003790628	0	50	0.0	-54.47	342.55	9.17	-45.30
CC1=[NH+]C=C2CCC(C(=O)N3C(C)CCC(C(=O)[O-])C3C)CN12	REAL300003790651	1	48	0.0	-71.37	344.64	9.11	-62.26
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CC(C(=O)N1C(C)CCC(C(=O)[O-])C1C)N1CC[NH+](C)CC1	REAL300003790713	1	51	0.0	-75.70	348.71	6.37	-69.33
CC1CCC(C(=O)[O-])C(C)N1C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003790784	0	59	0.0	-79.09	432.39	11.50	-67.59
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300003790789	0	59	0.0	-83.11	432.29	13.41	-69.70
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300003790789	1	59	0.0	-82.14	432.10	13.42	-68.72
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300003790841	0	41	0.0	-75.61	308.56	9.91	-65.70
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1(C[NH+](C)C)CCCCC1	REAL300003790866	0	55	0.0	-52.81	347.47	9.31	-43.50
CC1CCC(C(=O)[O-])C(C)N1C(=O)CC[N@H+](C)C1CCCCC1	REAL300003790869	0	55	0.0	-75.92	376.75	10.33	-65.59
CC1CCC(C(=O)[O-])C(C)N1C(=O)CC[N@@H+](C)C1CCCCC1	REAL300003790869	1	55	0.0	-74.90	370.44	9.96	-64.94
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003790930	0	49	0.0	-62.23	362.09	8.60	-53.63
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003790946	0	57	0.0	-61.93	374.31	8.25	-53.68
CC1=[NH+]C=CN1CCCC(=O)N1C(C)CCC(C(=O)[O-])C1C	REAL300003790974	1	47	0.0	-71.69	349.31	9.65	-62.04
CC1CCC(C(=O)[O-])C(C)N1C(=O)CCCC[NH+]1CCOCC1	REAL300003790975	1	53	0.0	-78.83	376.61	8.33	-70.50
CC[N@H+](CC1=CC=C(C(=O)N2C(C)CCC(C(=O)[O-])C2C)C=C1)C(C)C	REAL300003790976	0	58	0.0	-83.59	399.63	11.24	-72.35
CC[N@@H+](CC1=CC=C(C(=O)N2C(C)CCC(C(=O)[O-])C2C)C=C1)C(C)C	REAL300003790976	1	58	0.0	-83.40	390.90	10.89	-72.51
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003790994	0	53	0.0	-78.41	376.43	10.81	-67.60
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003790994	1	53	0.0	-76.05	381.19	11.05	-65.00
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003790995	0	54	0.0	-64.90	371.05	9.92	-54.98
CC1CCC(C(=O)[O-])C(C)N1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003791023	0	57	0.0	-55.81	377.13	8.68	-47.13
CC(C(=O)N1C(C)CCC(C(=O)[O-])C1C)[N@H+](C)CC1=CC=CC=C1	REAL300003791028	0	52	0.0	-70.44	371.25	10.62	-59.82
CC(C(=O)N1C(C)CCC(C(=O)[O-])C1C)[N@@H+](C)CC1=CC=CC=C1	REAL300003791028	1	52	0.0	-50.00	372.25	10.64	-39.36
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003791036	0	59	0.0	-77.71	417.96	12.51	-65.20
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003791036	1	59	0.0	-63.84	413.24	12.22	-51.62
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300003791052	0	48	0.0	-80.78	351.69	8.27	-72.51
CCC[NH+](CCC)CCCC(=O)N1C(C)CCC(C(=O)[O-])C1C	REAL300003791059	0	57	0.0	-74.75	400.79	10.91	-63.84
CC(C)C1=[NH+]C=CN1CC(=O)N1C(C)CCC(C(=O)[O-])C1C	REAL300003791066	1	47	0.0	-48.94	345.47	9.43	-39.51
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003791079	0	53	0.0	-86.52	376.01	10.79	-75.73
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003791084	0	56	0.0	-88.44	393.54	11.55	-76.89
CCC(C(=O)N1C(C)CCC(C(=O)[O-])C1C)[N@@H+]1CCOC(CC)C1	REAL300003791087	1	56	0.0	-68.61	381.54	8.58	-60.03
CCC(C(=O)N1C(C)CCC(C(=O)[O-])C1C)[N@H+]1CCOC(CC)C1	REAL300003791087	1	56	0.0	-68.18	377.74	8.52	-59.66
CCN1CCC([NH+]2CCC(C(=O)N3C(C)CCC(C(=O)[O-])C3C)CC2)CC1	REAL300003791090	0	64	0.0	-61.13	423.72	9.07	-52.06
CC1C[NH+](CC2=CC=C(C(=O)N3C(C)CCC(C(=O)[O-])C3C)C=C2)CC(C)O1	REAL300003791097	1	60	0.0	-90.03	426.08	10.52	-79.51
CC1CCC(C(=O)[O-])C(C)N1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003791108	1	57	0.0	-84.75	416.20	11.23	-73.52
CC1CCC(C(=O)[O-])C(C)N1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003791108	1	57	0.0	-86.11	413.06	11.19	-74.92
CC1=C(C(=O)N2C(C)CCC(C(=O)[O-])C2C)C=NN1C1=CC=[NH+]C=C1	REAL300003791124	1	47	0.0	-81.29	351.82	8.14	-73.15
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003791127	0	56	0.0	-86.77	392.75	11.50	-75.27
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003791138	1	49	0.0	-80.68	359.07	9.05	-71.63
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300003791139	0	52	0.0	-88.44	373.69	10.49	-77.95
CNC1=[NH+]C(C)=CC=C1C(=O)N1C(C)CCC(C(=O)[O-])C1C	REAL300003791144	1	45	0.0	-66.47	326.19	7.12	-59.35
CC(C(=O)N1C(C)CCC(C(=O)[O-])C1C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003791155	0	62	0.0	-71.71	419.37	12.55	-59.16
CC(C(=O)N1C(C)CCC(C(=O)[O-])C1C)[NH+]1CCSCC1	REAL300003791184	1	47	0.0	-53.03	326.46	8.27	-44.76
CC1CCC(C(=O)[O-])C(C)N1C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300003791191	0	52	0.0	-74.78	377.48	11.11	-63.67
CC1CCC(C(=O)[O-])C(C)N1C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300003791191	1	52	0.0	-55.17	378.84	11.12	-44.05
COCCOCC[N@H+](C)CCC(=O)N1C(C)CCC(C(=O)[O-])C1C	REAL300003791192	0	56	0.0	-73.85	400.62	7.00	-66.85
COCCOCC[N@@H+](C)CCC(=O)N1C(C)CCC(C(=O)[O-])C1C	REAL300003791192	1	56	0.0	-59.18	401.21	6.98	-52.20
CC1CCC(C(=O)[O-])C(C)N1C(=O)CC1(O)CCC[N@H+](C)C1	REAL300003791195	0	50	0.0	-57.49	339.09	6.63	-50.86
CC1CCC(C(=O)[O-])C(C)N1C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300003791195	1	50	0.0	-68.74	338.73	6.69	-62.05
CC1CCC(C(=O)[O-])C(C)N1C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003791202	0	61	0.0	-64.85	427.33	10.50	-54.35
CCCCCC[N@H+](C)CC(=O)N1C(C)CCC(C(=O)[O-])C1C	REAL300003791204	0	54	0.0	-51.91	383.43	10.43	-41.48
CCCCCC[N@@H+](C)CC(=O)N1C(C)CCC(C(=O)[O-])C1C	REAL300003791204	1	54	0.0	-71.82	381.25	10.39	-61.43
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300003791214	1	41	0.0	-82.47	308.92	9.90	-72.57
CC1CCC(C(=O)[O-])C(C)N1C(=O)C[N@H+](C)C1CCSC1	REAL300003791230	0	47	0.0	-75.90	336.86	8.87	-67.03
CC1CCC(C(=O)[O-])C(C)N1C(=O)C[N@@H+](C)C1CCSC1	REAL300003791230	1	47	0.0	-76.28	339.10	8.90	-67.38
CC(C)[NH+]1CCN(CCC(=O)N2C(C)CCC(C(=O)[O-])C2C)CC1	REAL300003791243	0	57	0.0	-76.35	393.06	7.82	-68.53
CC(C)[NH+]1CCN(CCCC(=O)N2C(C)CCC(C(=O)[O-])C2C)CC1	REAL300003791244	0	60	0.0	-58.00	415.76	8.70	-49.30
CC(C)N1CC[NH+](CCCC(=O)N2C(C)CCC(C(=O)[O-])C2C)CC1	REAL300003791244	1	60	0.0	-60.47	406.69	8.16	-52.31
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CCCC2CCC[N@@H+]21	REAL300003791245	0	50	0.0	-45.80	337.86	9.21	-36.59
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CCCC2CCC[N@H+]21	REAL300003791245	1	50	0.0	-45.75	338.21	9.21	-36.54
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300003791247	0	49	0.0	-83.09	357.46	7.72	-75.37
CC1=CC=CC(N2CC[NH+](CCC(=O)N3C(C)CCC(C(=O)[O-])C3C)CC2)=C1	REAL300003791250	0	61	0.0	-79.87	432.54	10.76	-69.11
CC1CCC(C(=O)[O-])C(C)N1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003791252	0	58	0.0	-79.96	411.14	10.11	-69.85
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003791254	0	55	0.0	-76.13	388.80	9.80	-66.33
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003791254	1	55	0.0	-76.49	385.34	9.51	-66.98
CC(C(=O)N1C(C)CCC(C(=O)[O-])C1C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003791259	0	53	0.0	-55.30	368.04	10.78	-44.52
CC(C(=O)N1C(C)CCC(C(=O)[O-])C1C)[N@H+]1CCC2=CC=CC=C2C1	REAL300003791259	1	53	0.0	-49.71	369.24	10.88	-38.83
CC(C(=O)N1C(C)CCC(C(=O)[O-])C1C)[NH+]1CCN(C2=CC=C(F)C=C2)CC1	REAL300003791261	1	58	0.0	-56.45	403.74	9.58	-46.87
CC1CCC(C(=O)[O-])C(C)N1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003791282	0	56	0.0	-81.52	401.44	11.82	-69.70
CC1CCC(C(=O)[O-])C(C)N1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003791282	1	56	0.0	-82.37	407.31	12.04	-70.33
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300003791295	0	49	0.0	-92.05	359.07	8.37	-83.68
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=NN1CC[NH+](C)C	REAL300003791296	0	49	0.0	-63.84	352.61	7.73	-56.11
CCC1=[NH+]C=CN1C(C)CC(=O)N1C(C)CCC(C(=O)[O-])C1C	REAL300003791297	1	50	0.0	-66.66	357.59	9.56	-57.10
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300003791301	1	50	0.0	-68.18	360.70	7.94	-60.24
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300003791301	1	50	0.0	-80.93	361.13	8.05	-72.88
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003791310	0	56	0.0	-76.15	400.27	11.63	-64.52
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003791310	1	56	0.0	-76.55	396.82	11.34	-65.21
CC(C[NH+]1CCOCC1)C(=O)N1C(C)CCC(C(=O)[O-])C1C	REAL300003791314	1	50	0.0	-75.62	346.78	7.19	-68.43
CC1CCC(C(=O)[O-])C(C)N1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003791315	0	57	0.0	-79.86	408.89	9.51	-70.35
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003791359	0	56	0.0	-53.08	382.46	10.54	-42.54
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003791359	1	56	0.0	-70.74	375.06	10.17	-60.57
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CCC2CCCC[N@@H+]21	REAL300003791375	0	50	0.0	-67.78	337.91	9.11	-58.67
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1CCC2CCCC[N@H+]21	REAL300003791375	1	50	0.0	-64.28	329.60	8.64	-55.64
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300003791389	0	58	0.0	-74.75	414.57	9.28	-65.47
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300003791390	0	58	0.0	-84.25	407.67	8.85	-75.40
CC1CCC(C(=O)[O-])C(C)N1C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300003791390	1	58	0.0	-88.41	408.99	8.93	-79.48
CC[NH+](CC)CCOC1=CC=C(C(=O)N2C(C)CCC(C(=O)[O-])C2C)C=C1	REAL300003791391	0	59	0.0	-84.09	416.42	10.76	-73.33
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CC(C)[NH+]1CCC(C(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300003800850	0	52	0.0	-75.53	367.73	9.59	-65.94
O=C([O-])CCC1CCCN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C1	REAL300003800967	0	60	0.0	-86.17	444.20	9.42	-76.75
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300003800971	0	49	0.0	-77.04	371.11	10.26	-66.78
O=C([O-])CCC1CCCN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003800972	0	56	0.0	-74.58	413.74	12.17	-62.41
O=C([O-])CCC1CCCN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003800972	1	56	0.0	-77.96	404.22	12.04	-65.92
C#CC[NH+]1CCC(C(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300003801039	0	48	0.0	-67.66	361.22	9.80	-57.86
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300003801041	0	52	0.0	-67.30	372.74	10.03	-57.27
CCC[N@H+]1CCCCC1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300003801041	1	52	0.0	-68.40	361.24	9.50	-58.90
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300003801043	0	49	0.0	-65.15	368.35	10.28	-54.87
CC[NH+]1CCN(CCC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300003801045	0	54	0.0	-76.50	391.09	7.76	-68.74
CCN1CC[NH+](CCC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300003801045	1	54	0.0	-75.61	391.25	7.77	-67.84
CC(C)C(C(=O)N1CCCC(CCC(=O)[O-])C1)[NH+]1CCCCC1	REAL300003801047	0	55	0.0	-67.43	377.02	10.48	-56.95
C[NH+](C)C(C(=O)N1CCCC(CCC(=O)[O-])C1)C1=CC=CC=C1	REAL300003801048	1	49	0.0	-67.40	360.81	10.27	-57.13
O=C([O-])CCC1CCCN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300003801052	0	54	0.0	-62.76	400.63	8.47	-54.29
O=C([O-])CCC1CCCN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300003801052	1	54	0.0	-65.41	403.14	8.41	-57.00
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(CCC(=O)[O-])C1	REAL300003801058	1	50	0.0	-68.12	378.47	10.28	-57.84
C[NH+](C)CC1=C(C(=O)N2CCCC(CCC(=O)[O-])C2)OC2=CC=CC=C21	REAL300003801059	0	52	0.0	-62.19	395.42	10.88	-51.31
O=C([O-])CCC1CCCN(C(=O)C2CCC[N@@H+]2C2CCCC2)C1	REAL300003801064	0	53	0.0	-68.47	371.00	10.40	-58.07
O=C([O-])CCC1CCCN(C(=O)C2CCC[N@H+]2C2CCCC2)C1	REAL300003801064	1	53	0.0	-71.46	365.19	10.63	-60.83
O=C([O-])CCC1CCCN(C(=O)C(C2=CC=CC=C2)[NH+]2CCSCC2)C1	REAL300003801091	1	54	0.0	-67.92	405.44	11.96	-55.96
CC(C)C(C(=O)N1CCCC(CCC(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300003801092	1	59	0.0	-66.81	400.21	8.92	-57.89
CC(C(=O)N1CCCC(CCC(=O)[O-])C1)[NH+]1CCCCCC1	REAL300003801093	0	52	0.0	-58.21	357.24	9.41	-48.80
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(CCC(=O)[O-])C3)=CC=C1N2	REAL300003801128	1	54	0.0	-81.35	406.70	10.67	-70.68
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(CCC(=O)[O-])C3)=CC=C1N2	REAL300003801128	1	54	0.0	-81.61	405.18	10.61	-71.00
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(CCC(=O)[O-])C2)O1	REAL300003801186	0	52	0.0	-51.96	389.86	10.24	-41.72
O=C([O-])CCC1CCCN(C(=O)CCCC[NH+]2CCCC2)C1	REAL300003801187	0	52	0.0	-75.36	384.00	10.44	-64.92
CC1=CC=C(N2CCC(C(=O)N3CCCC(CCC(=O)[O-])C3)CC2)[NH+]=C1	REAL300003801189	1	55	0.0	-61.79	406.05	10.07	-51.72
C[N@H+](CC(=O)N1CCCC(CCC(=O)[O-])C1)CC1=CC=CC=C1	REAL300003801190	1	49	0.0	-76.47	369.30	10.66	-65.81
C[N@@H+](CC(=O)N1CCCC(CCC(=O)[O-])C1)CC1=CC=CC=C1	REAL300003801190	1	49	0.0	-76.46	369.26	10.65	-65.81
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(CCC(=O)[O-])C3)C=C2)CC1	REAL300003801194	0	61	0.0	-61.18	437.87	10.58	-50.60
O=C([O-])CCC1CCCN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300003801209	1	44	0.0	-80.33	349.91	8.21	-72.12
C[NH+](C)CC1=CC(C(=O)N2CCCC(CCC(=O)[O-])C2)=NO1	REAL300003801238	1	45	0.0	-80.92	348.22	8.36	-72.56
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300003801243	0	56	0.0	-78.53	416.43	12.09	-66.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300003801243	1	56	0.0	-74.62	412.13	12.16	-62.46
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300003801267	0	57	0.0	-82.71	434.41	11.59	-71.12
C[NH+]1CCC(OCC(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300003801284	0	50	0.0	-81.87	372.95	9.25	-72.62
O=C([O-])CCC1CCCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300003801290	0	53	0.0	-52.66	395.02	10.66	-42.00
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(CCC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003801331	0	55	0.0	-76.18	404.65	10.19	-65.99
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(CCC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003801331	1	55	0.0	-71.96	400.07	9.98	-61.98
CCC[N@@H+]1CCCC(C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300003801476	0	52	0.0	-65.39	366.68	10.13	-55.26
CCC[N@H+]1CCCC(C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300003801476	1	52	0.0	-58.61	366.68	10.11	-48.50
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300003801509	0	52	0.0	-68.28	372.75	9.95	-58.33
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(CCC(=O)[O-])C1	REAL300003801509	1	52	0.0	-69.18	370.29	9.70	-59.48
O=C([O-])CCC1CCCN(C(=O)C[NH+]2CCC(CO)CC2)C1	REAL300003801512	0	50	0.0	-73.21	366.10	6.23	-66.98
O=C([O-])CCC1CCCN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300003801607	0	57	0.0	-79.04	416.18	12.22	-66.82
O=C([O-])CCC1CCCN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300003801607	1	57	0.0	-83.35	419.39	12.30	-71.05
O=C([O-])CCC1CCCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300003801646	1	56	0.0	-69.49	416.34	12.28	-57.21
O=C([O-])CCC1CCCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C1	REAL300003801646	1	56	0.0	-70.36	405.03	11.79	-58.57
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300003801734	0	52	0.0	-61.23	370.91	9.76	-51.47
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300003801734	1	52	0.0	-72.01	371.14	9.78	-62.23
C[N@@H+]1CC(C(=O)N2CCCC(CCC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003801735	0	46	0.0	-82.23	352.80	8.62	-73.61
C[N@H+]1CC(C(=O)N2CCCC(CCC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003801735	1	46	0.0	-83.69	352.89	8.61	-75.08
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC(CCC(=O)[O-])C2)N1	REAL300003801760	1	47	0.0	-69.03	364.18	8.45	-60.58
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(CCC(=O)[O-])C2)=C1	REAL300003802242	0	52	0.0	-79.59	393.54	11.09	-68.50
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(CCC(=O)[O-])C2)C=C1	REAL300003802249	0	53	0.0	-84.41	399.08	10.01	-74.40
O=C([O-])CCC1CCCN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300003802339	0	59	0.0	-73.19	432.46	13.06	-60.13
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(CCC(=O)[O-])C3)C=C2)CCO1	REAL300003802341	1	57	0.0	-86.32	417.17	10.39	-75.93
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(CCC(=O)[O-])C3)C=C2)CCO1	REAL300003802341	1	57	0.0	-86.29	417.20	10.39	-75.90
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(CCC(=O)[O-])C2)CC1	REAL300003802384	0	52	0.0	-68.84	361.51	9.51	-59.33
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300003802450	0	55	0.0	-62.45	390.68	10.56	-51.89
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300003802450	1	55	0.0	-62.45	390.68	10.56	-51.89
CN(C)CC1=CC=C(C(=O)N2CCCC(CCC(=O)[O-])C2)O1	REAL300003802456	0	46	0.0	-57.11	354.35	8.89	-48.22
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(CCC(=O)[O-])C2)O1	REAL300003802456	1	46	0.0	-57.11	354.35	8.89	-48.22
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300003802462	0	55	0.0	-84.77	375.23	9.54	-75.23
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(CCC(=O)[O-])C2)C1	REAL300003802462	1	55	0.0	-84.77	375.23	9.54	-75.23
O=C([O-])CCC1CCCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C1	REAL300003802465	0	48	0.0	-70.73	343.58	9.85	-60.88
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C(F)(F)F)CC2)C1	REAL300003802546	0	44	0.0	-49.86	339.84	7.24	-42.62
CN(CC(C)(C)S(C)(=O)=O)C(=O)CN1CCCC(C(=O)[O-])C1	REAL300003802670	0	48	0.0	-49.29	353.98	5.41	-43.88
CN(CC(C)(C)S(C)(=O)=O)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003802670	1	48	0.0	-46.58	340.41	6.19	-40.39
CN(CC(C)(C)S(C)(=O)=O)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003802670	1	48	0.0	-46.58	340.41	6.19	-40.39
CC1(C)C(C2=CC=CC(Cl)=C2)CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003802783	0	53	0.0	-48.72	401.75	11.73	-36.99
CC1(C)C(C2=CC=CC(Cl)=C2)CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003802783	1	53	0.0	-48.72	401.75	11.73	-36.99
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC(C(F)(F)F)O1	REAL300003802966	0	47	0.0	-47.81	353.12	7.30	-40.51
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC=C(C(F)(F)F)S2)C1	REAL300003803121	1	40	0.0	-51.01	347.57	7.72	-43.29
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC=C(C(F)(F)F)S2)C1	REAL300003803121	1	40	0.0	-48.03	341.38	7.70	-40.33
COC1=CC2=C(C=C1OC)C(C)N(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300003803238	0	55	0.0	-53.61	410.76	9.55	-44.06
COC1=CC2=C(C=C1OC)C(C)N(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CC2	REAL300003803238	1	55	0.0	-49.87	403.33	9.11	-40.76
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CC2CCCC2O1	REAL300003803345	0	48	0.0	-46.63	356.46	6.62	-40.01
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1CC2CCCC2O1	REAL300003803345	1	48	0.0	-47.57	350.90	6.56	-41.01
CC1C2=CC=C(F)C=C2CCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003803442	0	47	0.0	-50.43	358.42	10.42	-40.01
CC1C2=CC=C(F)C=C2CCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003803442	1	47	0.0	-46.82	350.11	9.96	-36.86
CCOC1=CC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C(C(=O)[O-])=C1	REAL300003804469	0	54	0.0	-66.43	416.64	11.27	-55.16
CCOC1=CC=C(NC(=O)C2CC[NH+](C3CC3)CC2)C(C(=O)[O-])=C1	REAL300003805745	0	48	0.0	-61.92	365.62	8.96	-52.96
CCOC1=CC=C(NC(=O)C2CCC3=C[NH+]=C(C)N3C2)C(C(=O)[O-])=C1	REAL300003805771	1	46	0.0	-56.84	362.84	8.77	-48.07
CCOC1=CC=C(NC(=O)C(C)N2CC[NH+](C)CC2)C(C(=O)[O-])=C1	REAL300003805838	1	49	0.0	-66.86	370.27	5.94	-60.92
CCOC1=CC=C(NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C(=O)[O-])=C1	REAL300003805872	1	44	0.0	-55.26	327.90	7.47	-47.79
CCOC1=CC=C(NC(=O)[C@@H]2CCCC[N@H+]2C)C(C(=O)[O-])=C1	REAL300003805872	1	44	0.0	-50.95	338.04	7.69	-43.26
CCOC1=CC=C(NC(=O)C2CC[NH+](C)CC2)C(C(=O)[O-])=C1	REAL300003805944	0	44	0.0	-65.27	340.14	7.70	-57.57
CCOC1=CC=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)C(C(=O)[O-])=C1	REAL300003805969	0	39	0.0	-65.62	326.11	9.58	-56.04
CCOC1=CC=C(NC(=O)C2(C[NH+](C)C)CCCCC2)C(C(=O)[O-])=C1	REAL300003805998	0	53	0.0	-62.04	380.79	9.33	-52.71
CCOC1=CC=C(NC(=O)CC[N@H+](C)C2CCCCC2)C(C(=O)[O-])=C1	REAL300003806002	0	53	0.0	-60.84	394.60	9.63	-51.21
CCOC1=CC=C(NC(=O)CC[N@@H+](C)C2CCCCC2)C(C(=O)[O-])=C1	REAL300003806002	1	53	0.0	-61.53	394.60	9.63	-51.90
CCOC1=CC=C(NC(=O)C2CC[NH+](C)CC2)C(C(=O)[O-])=C1	REAL300003806061	0	44	0.0	-65.27	340.14	7.70	-57.57
CCOC1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C(C(=O)[O-])=C1	REAL300003806064	0	47	0.0	-69.38	385.94	8.72	-60.66
CCOC1=CC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C(C(=O)[O-])=C1	REAL300003806079	0	55	0.0	-67.63	407.52	8.34	-59.29
CCOC1=CC=C(NC(=O)CCCN2C=C[NH+]=C2C)C(C(=O)[O-])=C1	REAL300003806108	1	45	0.0	-60.63	365.91	8.92	-51.71
CCOC1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C(C(=O)[O-])=C1	REAL300003806109	1	51	0.0	-68.23	393.22	7.62	-60.61
CCOC1=CC=C(NC(=O)C2=CC=C(C[N@H+](CC)C(C)C)C=C2)C(C(=O)[O-])=C1	REAL300003806111	0	56	0.0	-70.77	415.38	10.79	-59.98
CCOC1=CC=C(NC(=O)C2=CC=C(C[N@@H+](CC)C(C)C)C=C2)C(C(=O)[O-])=C1	REAL300003806111	1	56	0.0	-68.58	419.70	11.02	-57.56
CCOC1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300003806148	0	51	0.0	-62.65	398.00	10.38	-52.27
CCOC1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300003806148	1	51	0.0	-61.80	399.12	10.47	-51.33
CCOC1=CC=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C(C(=O)[O-])=C1	REAL300003806149	0	52	0.0	-69.40	395.98	9.73	-59.67
CCOC1=CC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C(C(=O)[O-])=C1	REAL300003806176	0	55	0.0	-61.03	393.17	7.93	-53.10
CCOC1=CC=C(NC(=O)C(CC)[NH+](CC)CC)C(C(=O)[O-])=C1	REAL300003806180	0	49	0.0	-51.80	359.81	8.43	-43.37
CCOC1=CC=C(NC(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300003806182	0	50	0.0	-52.58	391.97	10.14	-42.44
CCOC1=CC=C(NC(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300003806182	1	50	0.0	-52.07	391.78	10.11	-41.96
CCOC1=CC=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300003806191	0	57	0.0	-65.40	438.76	12.04	-53.36
CCOC1=CC=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300003806191	1	57	0.0	-62.22	432.44	12.25	-49.97
CCOC1=CC=C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)C(C(=O)[O-])=C1	REAL300003806204	0	46	0.0	-70.80	370.29	8.13	-62.67
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(OCC)C=C1C(=O)[O-]	REAL300003806210	0	55	0.0	-63.67	417.10	10.27	-53.40
CCOC1=CC=C(NC(=O)C2C[N@H+](C)CCO2)C(C(=O)[O-])=C1	REAL300003806212	1	42	0.0	-63.51	333.47	6.46	-57.05
CCOC1=CC=C(NC(=O)C2C[N@@H+](C)CCO2)C(C(=O)[O-])=C1	REAL300003806212	1	42	0.0	-63.17	332.63	6.37	-56.80
CCOC1=CC=C(NC(=O)CN2C=C[NH+]=C2C(C)C)C(C(=O)[O-])=C1	REAL300003806220	1	45	0.0	-53.93	361.84	8.78	-45.15
CCOC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C(C(=O)[O-])=C1	REAL300003806235	0	51	0.0	-71.91	399.14	10.69	-61.22
CCOC1=CC=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C(C(=O)[O-])=C1	REAL300003806241	0	54	0.0	-70.54	415.68	11.42	-59.12
CCOC1=CC=C(NC(=O)C2(C[NH+](C)C)CC2)C(C(=O)[O-])=C1	REAL300003806247	0	44	0.0	-60.32	347.34	7.80	-52.52
CCOC1=CC=C(NC(=O)CCCC[NH+](C)C)C(C(=O)[O-])=C1	REAL300003806256	0	46	0.0	-66.85	360.31	8.15	-58.70
CCOC1=CC=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])=C1	REAL300003806266	1	55	0.0	-69.09	422.50	10.42	-58.67
CCOC1=CC=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])=C1	REAL300003806266	1	55	0.0	-69.30	430.52	10.51	-58.79
CCOC1=CC=C(NC(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C(C(=O)[O-])=C1	REAL300003806278	1	45	0.0	-76.26	370.05	7.92	-68.34
CCOC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C(C(=O)[O-])=C1	REAL300003806281	0	54	0.0	-72.26	415.89	11.40	-60.86
CCOC1=CC=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)C(C(=O)[O-])=C1	REAL300003806293	1	47	0.0	-75.06	379.37	8.18	-66.88
CCOC1=CC=C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)C(C(=O)[O-])=C1	REAL300003806294	0	50	0.0	-75.79	396.82	10.39	-65.40
CCOC1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])=C1	REAL300003806301	1	52	0.0	-60.42	402.68	9.84	-50.58
CCOC1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C(C(=O)[O-])=C1	REAL300003806301	1	52	0.0	-62.00	409.82	10.01	-51.99
CCOC1=CC=C(NC(=O)C[N@H+](C)C2CCC2)C(C(=O)[O-])=C1	REAL300003806321	0	44	0.0	-53.27	341.90	8.02	-45.25
CCOC1=CC=C(NC(=O)C[N@@H+](C)C2CCC2)C(C(=O)[O-])=C1	REAL300003806321	1	44	0.0	-54.25	342.40	8.02	-46.23
CCOC1=CC=C(NC(=O)C[N@H+](C)CC(C)(C)C)C(C(=O)[O-])=C1	REAL300003806350	0	49	0.0	-53.83	366.78	8.67	-45.16
CCOC1=CC=C(NC(=O)C[N@@H+](C)CC(C)(C)C)C(C(=O)[O-])=C1	REAL300003806350	1	49	0.0	-55.49	362.46	8.45	-47.04
CCOC1=CC=C(NC(=O)C[N@H+](C)CCC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300003806352	0	50	0.0	-59.11	394.91	10.50	-48.61
CCOC1=CC=C(NC(=O)C[N@@H+](C)CCC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300003806352	1	50	0.0	-59.13	395.11	10.53	-48.60
CCOC1=CC=C(NC(=O)CC[N@H+](C)CCOCCOC)C(C(=O)[O-])=C1	REAL300003806353	0	54	0.0	-62.40	424.37	6.67	-55.73
CCOC1=CC=C(NC(=O)CC[N@@H+](C)CCOCCOC)C(C(=O)[O-])=C1	REAL300003806353	1	54	0.0	-62.71	424.20	6.66	-56.05
CCOC1=CC=C(NC(=O)CC2(O)CCC[N@H+](C)C2)C(C(=O)[O-])=C1	REAL300003806357	0	48	0.0	-58.13	365.46	6.28	-51.85
CCOC1=CC=C(NC(=O)CC2(O)CCC[N@@H+](C)C2)C(C(=O)[O-])=C1	REAL300003806357	1	48	0.0	-58.88	355.88	6.08	-52.80
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(OCC)C=C1C(=O)[O-]	REAL300003806369	0	52	0.0	-57.56	398.68	9.79	-47.77
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(OCC)C=C1C(=O)[O-]	REAL300003806369	1	52	0.0	-56.24	400.16	9.84	-46.40
CCOC1=CC=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)C(C(=O)[O-])=C1	REAL300003806383	1	39	0.0	-68.23	325.25	9.51	-58.72
CCOC1=CC=C(NC(=O)C[N@H+](C)C2CCSC2)C(C(=O)[O-])=C1	REAL300003806396	1	45	0.0	-58.35	355.71	8.34	-50.01
CCOC1=CC=C(NC(=O)C[N@@H+](C)C2CCSC2)C(C(=O)[O-])=C1	REAL300003806396	1	45	0.0	-59.75	354.44	8.26	-51.49
CCOC1=CC=C(NC(=O)CCN2CC[NH+](C(C)C)CC2)C(C(=O)[O-])=C1	REAL300003806411	0	55	0.0	-63.57	411.13	7.23	-56.34
CCOC1=CC=C(NC(=O)CC[NH+]2CCN(C(C)C)CC2)C(C(=O)[O-])=C1	REAL300003806411	1	55	0.0	-59.75	407.80	7.04	-52.71
CCOC1=CC=C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)C(C(=O)[O-])=C1	REAL300003806412	0	58	0.0	-65.89	433.03	8.02	-57.87
CCOC1=CC=C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)C(C(=O)[O-])=C1	REAL300003806412	1	58	0.0	-63.65	429.62	7.88	-55.77
CCOC1=CC=C(NC(=O)C2CCCC3CCC[N@@H+]32)C(C(=O)[O-])=C1	REAL300003806413	0	48	0.0	-53.43	352.51	8.61	-44.82
CCOC1=CC=C(NC(=O)C2CCCC3CCC[N@H+]32)C(C(=O)[O-])=C1	REAL300003806413	1	48	0.0	-53.82	352.52	8.57	-45.25
CCOC1=CC=C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)C(C(=O)[O-])=C1	REAL300003806415	0	47	0.0	-75.60	380.70	7.59	-68.01
CCOC1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C(C(=O)[O-])=C1	REAL300003806419	0	56	0.0	-65.28	427.75	9.36	-55.92
CCOC1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C(C(=O)[O-])=C1	REAL300003806421	0	53	0.0	-66.80	411.15	9.42	-57.38
CCOC1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C(C(=O)[O-])=C1	REAL300003806421	1	53	0.0	-64.62	411.76	9.40	-55.22
CCOC1=CC=C(NC(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C(C(=O)[O-])=C1	REAL300003806426	1	51	0.0	-51.56	395.07	10.53	-41.03
CCOC1=CC=C(NC(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C(C(=O)[O-])=C1	REAL300003806426	1	51	0.0	-54.45	390.74	10.57	-43.88
CCOC1=CC=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300003806445	0	54	0.0	-67.05	417.85	11.18	-55.87
CCOC1=CC=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300003806445	1	54	0.0	-67.03	420.53	11.23	-55.80
CCOC1=CC=C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)C(C(=O)[O-])=C1	REAL300003806458	0	47	0.0	-73.95	380.88	7.55	-66.40
CCOC1=CC=C(NC(=O)C2=CC=NN2CC[NH+](C)C)C(C(=O)[O-])=C1	REAL300003806459	0	47	0.0	-62.93	375.10	7.52	-55.41
CCOC1=CC=C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C(=O)[O-])=C1	REAL300003806461	0	44	0.0	-58.31	332.64	7.28	-51.03
CCOC1=CC=C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C(=O)[O-])=C1	REAL300003806461	1	44	0.0	-58.57	339.59	7.33	-51.24
CCOC1=CC=C(NC(=O)CC(C)N2C=C[NH+]=C2CC)C(C(=O)[O-])=C1	REAL300003806462	1	48	0.0	-57.21	382.14	9.25	-47.96
CCOC1=CC=C(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C(=O)[O-])=C1	REAL300003806465	0	47	0.0	-64.00	352.61	7.77	-56.23
CCOC1=CC=C(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C(=O)[O-])=C1	REAL300003806465	1	47	0.0	-64.43	357.62	8.06	-56.37
CCOC1=CC=C(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C(C(=O)[O-])=C1	REAL300003806468	1	48	0.0	-73.47	375.97	6.57	-66.90
CCOC1=CC=C(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C(C(=O)[O-])=C1	REAL300003806468	1	48	0.0	-74.73	381.97	7.10	-67.63
CCOC1=CC=C(NC(=O)C2C[N@H+](C)CC(C)O2)C(C(=O)[O-])=C1	REAL300003806475	1	45	0.0	-65.56	347.81	6.71	-58.85
CCOC1=CC=C(NC(=O)C2C[N@@H+](C)CC(C)O2)C(C(=O)[O-])=C1	REAL300003806475	1	45	0.0	-63.60	346.44	6.65	-56.95
CCOC1=CC=C(NC(=O)CN2C=C[NH+]=C2C)C(C(=O)[O-])=C1	REAL300003806482	1	39	0.0	-54.45	325.62	7.66	-46.79
CCOC1=CC=C(NC(=O)C(C)C[NH+]2CCOCC2)C(C(=O)[O-])=C1	REAL300003806484	0	48	0.0	-61.10	367.07	6.79	-54.31
CCOC1=CC=C(NC(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C(C(=O)[O-])=C1	REAL300003806485	0	55	0.0	-64.36	426.51	8.82	-55.54
CCOC1=CC=C(NC(=O)C[NH+]2CCC(C)CC2)C(C(=O)[O-])=C1	REAL300003806500	1	47	0.0	-56.08	359.15	8.53	-47.55
CCOC1=CC=C(NC(=O)C2C[N@H+](CC)CCO2)C(C(=O)[O-])=C1	REAL300003806513	1	45	0.0	-61.28	351.26	7.11	-54.17
CCOC1=CC=C(NC(=O)C2C[N@@H+](CC)CCO2)C(C(=O)[O-])=C1	REAL300003806513	1	45	0.0	-57.70	343.29	6.82	-50.88
CCOC1=CC=C(NC(=O)C2CC[NH+](CC3=NC=CN3C)CC2)C(C(=O)[O-])=C1	REAL300003806544	1	54	0.0	-69.24	417.61	9.63	-59.61
CCOC1=CC=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)C(C(=O)[O-])=C1	REAL300003806545	0	54	0.0	-60.14	400.28	9.93	-50.21
CCOC1=CC=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)C(C(=O)[O-])=C1	REAL300003806545	1	54	0.0	-59.87	401.70	9.96	-49.91
CCOC1=CC=C(NC(=O)CCC2CCC[N@@H+]2C)C(C(=O)[O-])=C1	REAL300003806552	0	47	0.0	-64.56	357.38	8.05	-56.51
CCOC1=CC=C(NC(=O)CCC2CCC[N@H+]2C)C(C(=O)[O-])=C1	REAL300003806552	1	47	0.0	-62.30	362.34	8.52	-53.78
CCOC1=CC=C(NC(=O)C2CCC3CCCC[N@@H+]32)C(C(=O)[O-])=C1	REAL300003806563	0	48	0.0	-50.22	356.58	8.55	-41.67
CCOC1=CC=C(NC(=O)C2CCC3CCCC[N@H+]32)C(C(=O)[O-])=C1	REAL300003806563	1	48	0.0	-50.68	362.31	8.89	-41.79
CCOC1=CC=C(NC(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C(C(=O)[O-])=C1	REAL300003806575	0	56	0.0	-69.69	432.96	8.95	-60.74
CCOC1=CC=C(NC(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C(C(=O)[O-])=C1	REAL300003806576	0	56	0.0	-72.50	432.94	8.97	-63.53
CCOC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C(C(=O)[O-])=C1	REAL300003806576	1	56	0.0	-72.94	432.41	8.84	-64.10
CCOC1=CC=C(NC(=O)C2CC[NH+](C(C)C)CC2)C(C(=O)[O-])=C1	REAL300003806585	0	50	0.0	-61.52	374.45	8.89	-52.63
CCOC1=CC=C(NC(=O)C23CC[NH+](CC2)C3)C(C(=O)[O-])=C1	REAL300003806653	0	42	0.0	-62.90	327.97	6.61	-56.29
CCOC1=CC=C(NC(=O)C23CC[N@H+](C2)CCC3)C(C(=O)[O-])=C1	REAL300003806662	0	45	0.0	-63.10	337.65	7.28	-55.82
CCOC1=CC=C(NC(=O)C23CC[N@@H+](C2)CCC3)C(C(=O)[O-])=C1	REAL300003806662	1	45	0.0	-63.07	338.36	7.33	-55.74
CCOC1=CC=C(NC(=O)C[NH+]2C(C)CCC2C)C(C(=O)[O-])=C1	REAL300003806701	0	47	0.0	-52.39	352.45	7.90	-44.49
CCOC1=CC=C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)C(C(=O)[O-])=C1	REAL300003806702	0	47	0.0	-71.71	374.08	9.57	-62.14
CCOC1=CC=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300003806703	0	54	0.0	-61.39	410.10	11.40	-49.99
CCOC1=CC=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C(C(=O)[O-])=C1	REAL300003806703	1	54	0.0	-60.13	411.53	11.46	-48.67
C#CC[NH+]1CCC(C(=O)NC2=CC=C(OCC)C=C2C(=O)[O-])CC1	REAL300003806758	0	46	0.0	-65.37	364.81	8.85	-56.52
CCOC1=CC=C(NC(=O)CCN2CC[NH+](CC)CC2)C(C(=O)[O-])=C1	REAL300003806760	0	52	0.0	-63.80	392.23	6.53	-57.27
CCOC1=CC=C(NC(=O)CC[NH+]2CCN(CC)CC2)C(C(=O)[O-])=C1	REAL300003806760	1	52	0.0	-61.21	393.56	6.67	-54.54
CCOC1=CC=C(NC(=O)CCN2C=C[NH+]=C2C(C)C)C(C(=O)[O-])=C1	REAL300003806767	1	48	0.0	-56.58	381.59	9.20	-47.38
CCOC1=CC=C(NC(=O)C[N@H+](CC)C2CC2)C(C(=O)[O-])=C1	REAL300003806773	0	44	0.0	-52.29	341.87	7.85	-44.44
CCOC1=CC=C(NC(=O)C[N@@H+](CC)C2CC2)C(C(=O)[O-])=C1	REAL300003806773	1	44	0.0	-52.90	344.78	8.07	-44.83
CCOC1=CC=C(NC(=O)C(C)[NH+]2CCCCCC2)C(C(=O)[O-])=C1	REAL300003806800	0	50	0.0	-52.10	366.13	8.57	-43.53
CCOC1=CC=C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C(C(=O)[O-])=C1	REAL300003806838	1	52	0.0	-78.58	408.91	10.01	-68.57
CCOC1=CC=C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C(C(=O)[O-])=C1	REAL300003806838	1	52	0.0	-78.71	408.11	9.94	-68.77
CCOC1=CC=C(NC(=O)C2=CC=C(C[NH+](CC)CC)O2)C(C(=O)[O-])=C1	REAL300003806877	0	50	0.0	-66.05	391.95	8.94	-57.11
CCOC1=CC=C(NC(=O)CCCC[NH+]2CCCC2)C(C(=O)[O-])=C1	REAL300003806878	0	50	0.0	-65.12	386.13	9.32	-55.80
CCOC1=CC=C(NC(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)C(C(=O)[O-])=C1	REAL300003806880	1	53	0.0	-61.09	409.14	9.08	-52.01
CCOC1=CC=C(NC(=O)C[N@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300003806881	1	47	0.0	-58.54	371.50	9.60	-48.94
CCOC1=CC=C(NC(=O)C[N@@H+](C)CC2=CC=CC=C2)C(C(=O)[O-])=C1	REAL300003806881	1	47	0.0	-58.69	371.62	9.62	-49.07
CCOC1=CC=C(NC(=O)C2=NOC(C[NH+](C)C)=C2)C(C(=O)[O-])=C1	REAL300003806929	1	43	0.0	-77.35	353.03	7.00	-70.35
CCOC1=CC=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C(C(=O)[O-])=C1	REAL300003806933	0	54	0.0	-65.43	416.60	11.08	-54.35
CCOC1=CC=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C(C(=O)[O-])=C1	REAL300003806933	1	54	0.0	-64.77	416.52	11.23	-53.54
CCOC1=CC=C(NC(=O)C2CCC[N@@H+]2C(C)C)C(C(=O)[O-])=C1	REAL300003806948	0	47	0.0	-52.11	354.30	8.10	-44.01
CCOC1=CC=C(NC(=O)C2CCC[N@H+]2C(C)C)C(C(=O)[O-])=C1	REAL300003806948	1	47	0.0	-53.55	353.66	8.12	-45.43
CCOC1=CC=C(NC(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C(C(=O)[O-])=C1	REAL300003806956	0	55	0.0	-73.08	437.42	10.49	-62.59
CCOC1=CC=C(NC(=O)COC2CC[NH+](C)CC2)C(C(=O)[O-])=C1	REAL300003806969	0	48	0.0	-68.51	374.90	8.02	-60.49
CCOC1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C(C(=O)[O-])=C1	REAL300003806974	0	51	0.0	-66.06	401.25	9.64	-56.42
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC)C=C2C(=O)[O-])C1	REAL300003807128	0	50	0.0	-57.99	373.08	9.26	-48.73
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(OCC)C=C2C(=O)[O-])C1	REAL300003807128	1	50	0.0	-60.89	378.81	9.02	-51.87
CCOC1=CC=C(NC(=O)C[NH+]2CCC(CO)CC2)C(C(=O)[O-])=C1	REAL300003807155	1	48	0.0	-55.89	370.51	5.25	-50.64
CCOC1=CC=C(NC(=O)C2CCC[N@@H+](C(C)C)C2)C(C(=O)[O-])=C1	REAL300003807342	0	50	0.0	-57.00	368.89	9.06	-47.94
CCOC1=CC=C(NC(=O)C2CCC[N@H+](C(C)C)C2)C(C(=O)[O-])=C1	REAL300003807342	1	50	0.0	-57.15	368.42	9.06	-48.09
CCOC1=CC=C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)C(C(=O)[O-])=C1	REAL300003807343	0	44	0.0	-66.39	352.91	7.54	-58.85
CCOC1=CC=C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)C(C(=O)[O-])=C1	REAL300003807343	1	44	0.0	-71.32	347.83	7.83	-63.49
CCOC1=CC=C(NC(=O)CCC2=[NH+]C(C)=C(C)N2)C(C(=O)[O-])=C1	REAL300003807366	1	45	0.0	-56.95	366.42	7.33	-49.62
CCOC1=CC=C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)C(C(=O)[O-])=C1	REAL300003807768	0	50	0.0	-74.23	396.59	10.40	-63.83
CCOC1=CC=C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C(C(=O)[O-])=C1	REAL300003807775	0	51	0.0	-71.89	404.30	9.37	-62.52
CCOC1=CC=C(NC(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C(C(=O)[O-])=C1	REAL300003807865	0	57	0.0	-67.71	434.50	11.95	-55.76
CCOC1=CC=C(NC(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C(C(=O)[O-])=C1	REAL300003807867	1	55	0.0	-72.95	421.48	9.74	-63.21
CCOC1=CC=C(NC(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C(C(=O)[O-])=C1	REAL300003807867	1	55	0.0	-73.01	421.51	9.74	-63.27
CCOC1=CC=C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)C(C(=O)[O-])=C1	REAL300003807895	0	44	0.0	-65.27	345.50	7.77	-57.50
CCOC1=CC=C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C(C(=O)[O-])=C1	REAL300003807899	0	50	0.0	-65.84	367.52	8.72	-57.12
CCOC1=CC=C(NC(=O)C2=CN3C(=C[NH+]=C3C)C=C2)C(C(=O)[O-])=C1	REAL300003807903	0	42	0.0	-60.61	347.54	9.35	-51.26
CCOC1=CC=C(NC(=O)C2CCC[N@H+](CC(C)C)C2)C(C(=O)[O-])=C1	REAL300003807956	0	53	0.0	-58.85	391.23	9.95	-48.90
CCOC1=CC=C(NC(=O)C2CCC[N@@H+](CC(C)C)C2)C(C(=O)[O-])=C1	REAL300003807956	1	53	0.0	-58.95	387.20	9.94	-49.01
CCOC1=CC=C(NC(=O)C2CCC[N@H+](CC)C2)C(C(=O)[O-])=C1	REAL300003807957	0	47	0.0	-58.98	352.41	8.51	-50.47
CCOC1=CC=C(NC(=O)C2CCC[N@@H+](CC)C2)C(C(=O)[O-])=C1	REAL300003807957	1	47	0.0	-57.81	352.23	8.56	-49.25
CCOC1=CC=C(NC(=O)C2CCC[N@H+](C)C2)C(C(=O)[O-])=C1	REAL300003807961	0	44	0.0	-61.61	341.27	7.72	-53.89
CCOC1=CC=C(NC(=O)C2CCC[N@@H+](C)C2)C(C(=O)[O-])=C1	REAL300003807961	1	44	0.0	-59.08	333.93	7.87	-51.21
CCOC1=CC=C(NC(=O)C2=CC=C(C[NH+](C)C)O2)C(C(=O)[O-])=C1	REAL300003807963	1	44	0.0	-67.26	360.70	7.86	-59.40
CCOC1=CC=C(NC(=O)C23CC(C2)C[N@@H+]3C2CC2)C(C(=O)[O-])=C1	REAL300003807971	1	46	0.0	-54.21	351.85	8.60	-45.61
CCOC1=CC=C(NC(=O)C23CC(C2)C[N@H+]3C2CC2)C(C(=O)[O-])=C1	REAL300003807971	1	46	0.0	-51.87	353.47	9.22	-42.65
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=CC=CC(F)=C3)CC2)C1	REAL300003808052	0	50	0.0	-46.30	370.85	10.56	-35.74
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=CC=CC(F)=C3)CC2)C1	REAL300003808052	1	50	0.0	-49.84	378.35	11.04	-38.80
O=C([O-])C1CCC[N@H+](CC(=O)NCCN2C=CC(C(F)(F)F)=N2)C1	REAL300003808181	0	43	0.0	-54.23	352.25	5.89	-48.34
O=C([O-])C1CCC[N@@H+](CC(=O)NCCN2C=CC(C(F)(F)F)=N2)C1	REAL300003808181	1	43	0.0	-60.02	354.16	6.34	-53.68
CN1N=NN=C1C1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003808379	0	48	0.0	-59.92	364.35	6.86	-53.06
CN1N=NN=C1C1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003808379	1	48	0.0	-56.57	356.83	6.42	-50.15
CN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1OCC1=CC=CC=C1	REAL300003808518	0	54	0.0	-47.06	424.09	12.44	-34.62
CN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC=C1OCC1=CC=CC=C1	REAL300003808518	1	54	0.0	-47.88	425.26	12.47	-35.41
O=C([O-])[C@@H]1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C[C@H]1C(F)(F)F	REAL300003809682	0	50	0.0	-75.11	396.60	10.97	-64.14
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300003810335	0	47	0.0	-47.08	370.79	9.87	-37.21
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300003810335	1	47	0.0	-40.68	370.83	9.89	-30.79
O=C([O-])[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1C(F)(F)F	REAL300003811242	0	44	0.0	-53.51	345.00	8.58	-44.93
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CC2)C[C@H]1C(F)(F)F	REAL300003811269	0	41	0.0	-47.41	326.10	8.07	-39.34
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CC2)C[C@H]1C(F)(F)F	REAL300003811269	1	41	0.0	-47.70	322.31	8.02	-39.68
CC1=[NH+]C=C2CCC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)CN12	REAL300003811275	1	42	0.0	-49.91	338.64	8.23	-41.68
O=C([O-])[C@@H]1CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300003811276	0	50	0.0	-47.65	395.35	10.75	-36.90
C[N@@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003811358	0	40	0.0	-47.96	304.94	6.94	-41.02
C[N@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003811358	1	40	0.0	-53.37	307.76	7.10	-46.27
CC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)N1CC[NH+](C)CC1	REAL300003811359	1	45	0.0	-60.02	341.81	5.32	-54.70
C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003811403	0	40	0.0	-52.97	315.93	7.36	-45.61
C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003811403	1	40	0.0	-53.39	307.73	7.09	-46.30
CC1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003811461	0	53	0.0	-59.15	396.88	10.80	-48.35
C[NH+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300003811494	0	40	0.0	-61.96	316.50	7.25	-54.71
O=C([O-])[C@@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C[C@H]1C(F)(F)F	REAL300003811520	0	35	0.0	-65.52	310.75	9.23	-56.29
C[NH+](C)CC1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CCCCC1	REAL300003811553	0	49	0.0	-35.47	342.59	8.65	-26.82
C[N@H+](CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1CCCCC1	REAL300003811558	0	49	0.0	-54.56	374.14	9.45	-45.11
C[N@@H+](CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1CCCCC1	REAL300003811558	1	49	0.0	-53.43	374.14	9.46	-43.97
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@H]1C(F)(F)F	REAL300003811575	1	47	0.0	-47.31	380.66	10.26	-37.05
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C[C@H]1C(F)(F)F	REAL300003811575	1	47	0.0	-51.30	376.84	10.23	-41.07
C[NH+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300003811629	0	40	0.0	-61.96	316.50	7.25	-54.71
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C[C@H]1C(F)(F)F	REAL300003811634	0	43	0.0	-79.15	360.95	8.05	-71.10
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@H]1C(F)(F)F	REAL300003811657	0	50	0.0	-48.25	366.06	9.55	-38.70
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C[C@H]1C(F)(F)F	REAL300003811657	1	50	0.0	-44.54	363.86	9.38	-35.16
O=C([O-])[C@@H]1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@H]1C(F)(F)F	REAL300003811658	0	51	0.0	-63.19	377.21	7.69	-55.50
CC1=[NH+]C=CN1CCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003811691	1	41	0.0	-54.40	346.84	8.77	-45.63
O=C([O-])[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C(F)(F)F	REAL300003811692	1	47	0.0	-62.34	373.99	7.44	-54.90
CC[N@H+](CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=C1)C(C)C	REAL300003811695	0	52	0.0	-66.28	398.58	10.51	-55.77
CC[N@@H+](CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=C1)C(C)C	REAL300003811695	1	52	0.0	-63.94	389.45	10.09	-53.85
O=C([O-])[C@@H]1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1C(F)(F)F	REAL300003811744	0	47	0.0	-56.57	376.26	10.09	-46.48
O=C([O-])[C@@H]1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1C(F)(F)F	REAL300003811744	1	47	0.0	-52.55	370.11	9.92	-42.63
O=C([O-])[C@@H]1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C[C@H]1C(F)(F)F	REAL300003811745	0	48	0.0	-66.15	371.74	9.22	-56.93
C[NH+]1CCN(C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C2=CC=CC=C2)CC1	REAL300003811771	1	52	0.0	-55.57	397.38	8.05	-47.52
O=C([O-])[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@H]1C(F)(F)F	REAL300003811772	0	51	0.0	-54.95	372.39	7.71	-47.24
CCC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)[NH+](CC)CC	REAL300003811776	0	45	0.0	-52.17	336.63	8.13	-44.04
CC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)[N@H+](C)CC1=CC=CC=C1	REAL300003811778	0	46	0.0	-50.20	368.31	9.75	-40.45
CC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003811778	1	46	0.0	-52.59	369.00	9.77	-42.82
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C[C@H]1C(F)(F)F	REAL300003811790	0	53	0.0	-62.85	417.95	11.79	-51.06
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C[C@H]1C(F)(F)F	REAL300003811790	1	53	0.0	-63.01	409.98	11.68	-51.33
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=N1	REAL300003811812	0	42	0.0	-76.80	345.50	7.41	-69.39
CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003811821	0	51	0.0	-58.24	393.92	9.80	-48.44
CC[N@H+](C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1=CC=CC=C1	REAL300003811822	0	46	0.0	-41.46	366.23	9.84	-31.62
CC[N@@H+](C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1=CC=CC=C1	REAL300003811822	1	46	0.0	-41.96	361.22	9.87	-32.09
C[N@@H+]1CCOC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003811824	1	38	0.0	-49.38	308.52	6.13	-43.25
C[N@H+]1CCOC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003811824	1	38	0.0	-35.35	294.92	5.75	-29.60
CC[NH+](CC)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1=CC=CC=C1	REAL300003811827	0	49	0.0	-38.72	370.03	10.37	-28.35
CC(C)C1=[NH+]C=CN1CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003811836	1	41	0.0	-47.97	341.48	8.58	-39.39
C[NH+](C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1=CC=C(Cl)C=C1	REAL300003811841	1	43	0.0	-45.86	362.34	9.64	-36.22
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C[C@H]1C(F)(F)F	REAL300003811854	0	47	0.0	-80.63	375.07	10.06	-70.57
O=C([O-])[C@@H]1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C[C@H]1C(F)(F)F	REAL300003811862	0	50	0.0	-72.10	391.84	10.77	-61.33
C[NH+](C)CC1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300003811868	0	40	0.0	-60.49	316.83	7.14	-53.35
C[NH+](C)CCCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003811877	0	42	0.0	-61.13	341.19	8.01	-53.12
CC(C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)[NH+](C)C	REAL300003811886	0	42	0.0	-44.92	318.99	7.42	-37.50
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300003811899	0	50	0.0	-39.36	391.86	10.90	-28.46
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C[C@H]1C(F)(F)F	REAL300003811899	1	50	0.0	-48.04	387.45	10.76	-37.28
CC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=NN1C1=CC=[NH+]C=C1	REAL300003811901	1	41	0.0	-74.61	347.42	7.35	-67.26
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C[C@H]1C(F)(F)F	REAL300003811909	0	50	0.0	-80.80	391.81	10.77	-70.03
O=C([O-])[C@@H]1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C[C@H]1C(F)(F)F	REAL300003811923	1	43	0.0	-65.84	355.96	8.20	-57.64
C[NH+](C)CCC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=C1	REAL300003811924	0	46	0.0	-82.06	373.51	9.78	-72.28
CNC1=[NH+]C(C)=CC=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003811936	1	39	0.0	-47.16	323.28	6.44	-40.72
O=C([O-])[C@@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@H]1C(F)(F)F	REAL300003811938	1	48	0.0	-59.94	378.04	9.48	-50.46
O=C([O-])[C@@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@H]1C(F)(F)F	REAL300003811938	1	48	0.0	-75.19	378.29	9.50	-65.69
C[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1CCC1	REAL300003811969	0	40	0.0	-47.22	321.94	7.83	-39.39
C[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1CCC1	REAL300003811969	1	40	0.0	-48.66	322.06	7.83	-40.83
CC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)[NH+]1CCSCC1	REAL300003811993	1	41	0.0	-46.71	329.25	7.63	-39.08
C[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)CC(C)(C)C	REAL300003811999	0	45	0.0	-48.59	343.54	8.23	-40.36
C[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)CC(C)(C)C	REAL300003811999	1	45	0.0	-49.16	345.49	8.39	-40.77
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812001	0	46	0.0	-53.22	374.85	10.27	-42.95
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812001	1	46	0.0	-53.02	374.97	10.27	-42.75
COCCOCC[N@H+](C)CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812002	0	50	0.0	-56.04	403.85	6.48	-49.56
COCCOCC[N@@H+](C)CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812002	1	50	0.0	-54.80	404.01	6.51	-48.29
C[N@@H+]1CCCC(O)(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003812007	0	44	0.0	-53.51	342.14	6.27	-47.24
C[N@H+]1CCCC(O)(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003812007	1	44	0.0	-47.81	344.68	6.20	-41.61
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C[C@H]1C(F)(F)F	REAL300003812028	1	49	0.0	-44.26	388.00	9.22	-35.04
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C[C@H]1C(F)(F)F	REAL300003812028	1	49	0.0	-52.39	383.50	9.05	-43.34
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CN=C2)C[C@H]1C(F)(F)F	REAL300003812029	1	49	0.0	-42.99	387.75	9.09	-33.90
O=C([O-])[C@@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CN=C2)C[C@H]1C(F)(F)F	REAL300003812029	1	49	0.0	-45.25	375.30	8.60	-36.65
CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812031	0	48	0.0	-50.43	379.43	9.58	-40.85
CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812031	1	48	0.0	-50.63	379.44	9.59	-41.04
O=C([O-])[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C(F)(F)F	REAL300003812041	0	41	0.0	-66.81	308.80	7.42	-59.39
O=C([O-])[C@@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C[C@H]1C(F)(F)F	REAL300003812049	1	35	0.0	-64.71	310.83	9.26	-55.45
C[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1CCSC1	REAL300003812065	0	41	0.0	-51.54	335.31	8.08	-43.46
C[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1CCSC1	REAL300003812065	1	41	0.0	-52.71	336.58	8.07	-44.64
CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300003812082	0	51	0.0	-56.55	391.10	7.04	-49.51
CC(C)N1CC[NH+](CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300003812082	1	51	0.0	-54.12	388.00	6.89	-47.23
CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300003812083	0	54	0.0	-61.47	408.62	7.60	-53.87
CC(C)N1CC[NH+](CCCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300003812083	1	54	0.0	-57.37	409.39	7.67	-49.70
O=C([O-])[C@@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)C[C@H]1C(F)(F)F	REAL300003812084	0	44	0.0	-52.23	332.15	8.31	-43.92
O=C([O-])[C@@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)C[C@H]1C(F)(F)F	REAL300003812084	1	44	0.0	-47.01	329.01	8.05	-38.96
C[NH+](C)CCN1C=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=N1	REAL300003812086	0	43	0.0	-76.89	354.32	6.92	-69.97
O=C([O-])[C@@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@H]1C(F)(F)F	REAL300003812095	0	52	0.0	-58.16	408.12	9.17	-48.99
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C[C@H]1C(F)(F)F	REAL300003812098	0	49	0.0	-55.85	381.76	9.08	-46.77
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C[C@H]1C(F)(F)F	REAL300003812098	1	49	0.0	-55.67	386.75	8.86	-46.81
CC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003812103	0	47	0.0	-57.15	373.07	10.19	-46.96
CC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003812103	1	47	0.0	-48.68	368.80	10.17	-38.51
CCC(CC)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)[NH+]1CCOCC1	REAL300003812120	1	53	0.0	-48.29	373.55	7.96	-40.33
CCCC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)[NH+](C)C	REAL300003812124	0	42	0.0	-47.14	328.03	7.66	-39.48
O=C([O-])[C@@H]1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1C(F)(F)F	REAL300003812126	0	50	0.0	-57.65	399.61	11.04	-46.61
O=C([O-])[C@@H]1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1C(F)(F)F	REAL300003812126	1	50	0.0	-59.01	399.99	11.06	-47.95
C[NH+](C)CCN1C=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=N1	REAL300003812141	0	43	0.0	-66.95	357.16	7.59	-59.36
C[NH+](C)CCN1N=CC=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812142	0	43	0.0	-53.69	350.58	7.00	-46.69
C[C@@H]1[C@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC[N@@H+]1C	REAL300003812148	0	40	0.0	-59.43	309.82	6.74	-52.69
C[C@@H]1[C@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC[N@H+]1C	REAL300003812148	1	40	0.0	-57.30	316.60	7.07	-50.23
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812150	1	44	0.0	-50.58	361.68	9.07	-41.51
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC[N@@H+]1C	REAL300003812153	0	43	0.0	-57.71	328.75	7.35	-50.36
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC[N@H+]1C	REAL300003812153	1	43	0.0	-58.80	336.43	7.72	-51.08
C[N@@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=NN1	REAL300003812156	1	44	0.0	-67.06	358.40	7.15	-59.91
C[N@H+]1CCCC1C1=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=NN1	REAL300003812156	1	44	0.0	-63.90	351.02	6.79	-57.11
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812157	0	39	0.0	-46.97	319.76	7.55	-39.42
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812157	1	39	0.0	-56.94	327.66	7.92	-49.02
CC1C[N@H+](C)CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)O1	REAL300003812165	1	41	0.0	-64.55	330.37	6.85	-57.70
CC1C[N@@H+](C)CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)O1	REAL300003812165	1	41	0.0	-78.74	330.72	6.86	-71.88
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C[C@H]1C(F)(F)F	REAL300003812171	1	46	0.0	-49.45	368.49	8.32	-41.13
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C[C@H]1C(F)(F)F	REAL300003812171	1	46	0.0	-53.21	371.18	8.54	-44.67
CC1=[NH+]C=CN1CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812175	1	35	0.0	-48.01	304.23	7.43	-40.58
CC(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812177	0	44	0.0	-54.72	343.13	6.29	-48.43
CC1CC[NH+](CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300003812192	0	43	0.0	-48.71	338.31	8.31	-40.40
CC[N@@H+]1CCOC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003812205	1	41	0.0	-78.17	327.09	6.78	-71.39
CC[N@H+]1CCOC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003812205	1	41	0.0	-71.17	319.17	6.56	-64.61
O=C([O-])[C@@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C(F)(F)F	REAL300003812244	0	50	0.0	-53.04	378.69	9.64	-43.40
O=C([O-])[C@@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C[C@H]1C(F)(F)F	REAL300003812244	1	50	0.0	-50.37	371.44	9.39	-40.98
C[N@@H+]1CCCC1CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812251	0	43	0.0	-56.07	337.64	7.90	-48.17
C[N@H+]1CCCC1CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812251	1	43	0.0	-52.30	339.17	8.21	-44.09
O=C([O-])[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C(F)(F)F	REAL300003812264	0	44	0.0	-62.25	324.23	7.55	-54.70
C[N@@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812266	0	41	0.0	-67.38	315.32	3.56	-63.82
C[N@H+]1CC(O)CC1(C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812266	1	41	0.0	-53.61	309.00	3.33	-50.28
O=C([O-])[C@@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)C[C@H]1C(F)(F)F	REAL300003812267	0	44	0.0	-42.73	340.54	8.61	-34.12
O=C([O-])[C@@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)C[C@H]1C(F)(F)F	REAL300003812267	1	44	0.0	-46.13	338.61	8.60	-37.53
CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812274	0	47	0.0	-53.21	344.31	6.27	-46.94
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=N1	REAL300003812279	0	50	0.0	-67.91	387.23	7.90	-60.01
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=N1	REAL300003812279	1	50	0.0	-64.06	380.18	7.68	-56.38
C[NH+]1CCN(CC2=CC=CC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)=C2)CC1	REAL300003812283	0	52	0.0	-72.09	408.89	8.33	-63.76
C[NH+]1CCN(CC2=CC=C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)C=C2)CC1	REAL300003812284	0	52	0.0	-68.46	406.98	8.11	-60.35
CN1CC[NH+](CC2=CC=C(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)C=C2)CC1	REAL300003812284	1	52	0.0	-81.70	408.34	8.21	-73.49
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300003812293	0	46	0.0	-55.76	354.93	8.59	-47.17
O=C([O-])[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F	REAL300003812374	0	38	0.0	-54.75	296.31	5.96	-48.79
O=C([O-])[C@@H]1CN(C(=O)C23CC[N@H+](C2)CCC3)C[C@H]1C(F)(F)F	REAL300003812384	0	41	0.0	-53.64	304.37	6.53	-47.11
O=C([O-])[C@@H]1CN(C(=O)C23CC[N@@H+](C2)CCC3)C[C@H]1C(F)(F)F	REAL300003812384	1	41	0.0	-68.78	309.13	6.69	-62.09
CC1CCC(C)[NH+]1CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812433	0	43	0.0	-45.51	332.18	7.70	-37.81
C[NH+](C)CC1=CC=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300003812434	0	43	0.0	-73.74	349.24	8.88	-64.86
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1C(F)(F)F	REAL300003812435	0	50	0.0	-51.76	385.75	10.89	-40.87
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1C(F)(F)F	REAL300003812435	1	50	0.0	-62.53	387.45	10.81	-51.72
C[NH+](C)C1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CCC1	REAL300003812475	0	40	0.0	-56.22	305.93	7.00	-49.22
C#CC[NH+]1CCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300003812508	0	42	0.0	-58.73	344.80	8.53	-50.20
CCC[N@@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812510	0	46	0.0	-48.91	355.71	8.76	-40.15
CCC[N@H+]1CCCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812510	1	46	0.0	-41.69	354.47	8.75	-32.94
C[NH+](C)CC1=CC=CC=C1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812511	0	43	0.0	-49.27	344.69	9.19	-40.08
CC[NH+]1CCN(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300003812513	0	48	0.0	-58.55	374.36	6.53	-52.02
CCN1CC[NH+](CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300003812513	1	48	0.0	-54.18	374.33	6.52	-47.66
CC(C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)[NH+]1CCCCC1	REAL300003812515	0	49	0.0	-41.73	363.37	9.27	-32.46
C[NH+](C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1=CC=CC=C1	REAL300003812516	1	43	0.0	-43.97	345.57	9.12	-34.85
O=C([O-])[C@@H]1CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C[C@H]1C(F)(F)F	REAL300003812520	0	48	0.0	-64.08	382.18	7.23	-56.85
O=C([O-])[C@@H]1CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C[C@H]1C(F)(F)F	REAL300003812520	1	48	0.0	-55.85	387.84	7.32	-48.53
CC(C)C1=[NH+]C=CN1CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812526	1	44	0.0	-50.23	361.14	9.01	-41.22
C[NH+](C)CC1=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)OC2=CC=CC=C21	REAL300003812527	0	46	0.0	-56.39	377.88	9.75	-46.64
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@H]1C(F)(F)F	REAL300003812532	0	47	0.0	-48.91	349.90	9.48	-39.43
O=C([O-])[C@@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@H]1C(F)(F)F	REAL300003812532	1	47	0.0	-47.18	359.63	9.14	-38.04
CC[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1CC1	REAL300003812534	0	40	0.0	-45.79	324.57	7.87	-37.92
CC[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1CC1	REAL300003812534	1	40	0.0	-47.53	321.75	7.84	-39.69
CC(C)C(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)[NH+]1CC(C)OC(C)C1	REAL300003812563	1	53	0.0	-44.18	387.72	8.52	-35.66
CC(C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)[NH+]1CCCCCC1	REAL300003812564	0	46	0.0	-44.02	343.15	8.19	-35.83
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)=CC=C1N2	REAL300003812606	1	48	0.0	-74.93	385.24	9.36	-65.57
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)=CC=C1N2	REAL300003812606	1	48	0.0	-86.32	384.29	9.28	-77.04
CC[NH+](CC)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)O1	REAL300003812657	0	46	0.0	-58.63	368.42	8.80	-49.83
O=C([O-])[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C(F)(F)F	REAL300003812658	0	46	0.0	-59.48	367.05	9.17	-50.31
CC1=CC=C(N2CCC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)CC2)[NH+]=C1	REAL300003812660	1	49	0.0	-58.39	390.11	8.83	-49.56
C[N@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)CC1=CC=CC=C1	REAL300003812661	1	43	0.0	-51.52	352.49	9.44	-42.08
C[N@@H+](CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)CC1=CC=CC=C1	REAL300003812661	1	43	0.0	-52.11	352.54	9.44	-42.67
CC(C)[C@@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)[NH+](C)C	REAL300003812672	0	42	0.0	-57.05	318.22	7.36	-49.69
O=C([O-])[C@@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@H]1C(F)(F)F	REAL300003812690	1	38	0.0	-74.93	329.31	6.86	-68.07
C[NH+](C)CC1=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=NO1	REAL300003812720	1	39	0.0	-67.12	330.59	7.05	-60.07
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812724	0	50	0.0	-54.05	395.80	11.00	-43.05
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812724	1	50	0.0	-53.91	395.29	10.97	-42.94
CC(C)[N@@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812740	0	43	0.0	-40.91	318.33	7.81	-33.10
CC(C)[N@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812740	1	43	0.0	-48.47	324.71	8.09	-40.38
C[NH+]1CCC(OCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300003812766	0	44	0.0	-64.16	355.68	8.01	-56.15
O=C([O-])[C@@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C[C@H]1C(F)(F)F	REAL300003812771	0	47	0.0	-60.06	378.70	9.59	-50.47
CCC[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003812965	0	46	0.0	-57.63	349.77	8.80	-48.83
CCC[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003812965	1	46	0.0	-58.65	358.04	8.75	-49.90
CC(C)C[N@@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812997	0	46	0.0	-59.56	359.22	8.86	-50.70
CC(C)C[N@H+]1CCCC1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	REAL300003812997	1	46	0.0	-51.00	347.01	9.10	-41.90
O=C([O-])[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@H]1C(F)(F)F	REAL300003812998	0	44	0.0	-49.99	349.14	5.00	-44.99
O=C([O-])[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C[C@H]1C(F)(F)F	REAL300003813105	0	51	0.0	-63.53	400.75	11.10	-52.43
O=C([O-])[C@@H]1CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C[C@H]1C(F)(F)F	REAL300003813105	1	51	0.0	-64.08	404.00	11.14	-52.94
CC(C)[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003813236	0	46	0.0	-50.41	349.67	8.32	-42.09
CC(C)[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003813236	1	46	0.0	-48.98	343.55	8.50	-40.48
C[N@@H+]1CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(C(F)(F)F)C1	REAL300003813237	0	40	0.0	-56.45	324.77	7.72	-48.73
C[N@H+]1CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C(C(F)(F)F)C1	REAL300003813237	1	40	0.0	-52.70	339.71	7.55	-45.15
CC1=C(C)[NH+]=C(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)N1	REAL300003813263	1	41	0.0	-49.90	345.96	7.14	-42.76
C[NH+](C)CCC1=CC=CC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)=C1	REAL300003813760	0	46	0.0	-75.50	371.73	9.72	-65.78
C[NH+](C)CCOC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C=C1	REAL300003813767	0	47	0.0	-79.49	379.89	8.71	-70.78
O=C([O-])[C@@H]1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C[C@H]1C(F)(F)F	REAL300003813864	0	53	0.0	-62.09	415.46	11.81	-50.28
C[NH+](C)[C@H]1C[C@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003813910	0	40	0.0	-50.05	320.97	7.43	-42.62
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)CC1	REAL300003813914	0	46	0.0	-66.85	343.36	8.22	-58.63
CC1=[NH+]C=C2C=CC(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)=CN12	REAL300003813918	0	38	0.0	-60.18	332.18	9.01	-51.17
CC(C)C[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003813984	0	49	0.0	-58.30	366.09	9.45	-48.85
CC(C)C[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003813984	1	49	0.0	-52.58	364.17	9.42	-43.16
CC[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003813985	0	43	0.0	-51.35	333.04	7.81	-43.54
CC[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003813985	1	43	0.0	-51.37	328.00	8.03	-43.34
C[N@@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003813989	0	40	0.0	-55.26	316.40	7.20	-48.06
C[N@H+]1CCCC(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003813989	1	40	0.0	-50.65	309.23	7.33	-43.32
C[NH+](C)CC1=CC=C(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)O1	REAL300003813991	1	40	0.0	-59.03	336.06	7.61	-51.42
C[N@@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003813997	0	49	0.0	-50.51	348.58	7.84	-42.67
C[N@H+]1CCCC(C(C)(C)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1	REAL300003813997	1	49	0.0	-64.68	350.66	7.86	-56.82
O=C([O-])[C@@H]1CN(C(=O)C23CC(C2)C[N@H+]3C2CC2)C[C@H]1C(F)(F)F	REAL300003814000	1	42	0.0	-38.91	326.51	7.94	-30.97
O=C([O-])C1CCC[N@H+](CC(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C1	REAL300003814083	0	50	0.0	-50.01	381.73	5.31	-44.70
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCOC(C3=NOC(C4CC4)=N3)C2)C1	REAL300003814083	1	50	0.0	-53.65	390.04	5.75	-47.90
O=C([O-])C(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC=C1	REAL300003815214	0	50	0.0	-75.42	393.64	11.20	-64.22
O=C([O-])C(NC(=O)C1CC[NH+](C2CC2)CC1)C1=CC=CC=C1	REAL300003816532	0	44	0.0	-70.48	341.41	8.87	-61.61
CC1=[NH+]C=C2CCC(C(=O)NC(C(=O)[O-])C3=CC=CC=C3)CN21	REAL300003816551	1	42	0.0	-62.25	339.97	8.77	-53.48
CC1=NC(C[NH+]2CCC(C(=O)NC(C(=O)[O-])C3=CC=CC=C3)CC2)=CS1	REAL300003816610	1	49	0.0	-75.18	401.09	8.96	-66.22
CC(C(=O)NC(C(=O)[O-])C1=CC=CC=C1)N1CC[NH+](C)CC1	REAL300003816611	1	45	0.0	-70.28	342.90	5.84	-64.44
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300003816681	0	53	0.0	-80.10	426.40	10.79	-69.31
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300003816687	0	53	0.0	-80.59	426.81	13.09	-67.50
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300003816687	1	53	0.0	-79.63	426.71	13.11	-66.52
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)CCCCC1	REAL300003816757	0	49	0.0	-71.48	357.08	9.67	-61.81
C[N@H+](CCC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300003816759	0	49	0.0	-65.26	370.77	9.63	-55.63
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300003816759	1	49	0.0	-66.40	371.02	9.55	-56.85
O=C([O-])C(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=CC=C1	REAL300003816824	0	43	0.0	-81.87	361.81	8.61	-73.26
O=C([O-])C(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=CC=CC=C1	REAL300003816842	0	51	0.0	-55.83	376.16	8.13	-47.70
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300003816868	1	41	0.0	-67.36	343.31	8.94	-58.42
O=C([O-])C(NC(=O)CCCC[NH+]1CCOCC1)C1=CC=CC=C1	REAL300003816869	1	47	0.0	-74.98	370.84	7.55	-67.43
CC[N@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300003816870	0	52	0.0	-79.77	399.27	11.09	-68.68
CC[N@@H+](CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=C1)C(C)C	REAL300003816870	1	52	0.0	-79.49	389.83	10.72	-68.77
O=C([O-])C(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300003816888	0	47	0.0	-67.28	376.11	10.36	-56.92
O=C([O-])C(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300003816888	1	47	0.0	-65.39	375.10	10.39	-55.00
O=C([O-])C(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=CC=CC=C1	REAL300003816889	0	48	0.0	-73.05	371.71	9.64	-63.41
O=C([O-])C(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=CC=CC=C1	REAL300003816917	0	51	0.0	-68.09	369.92	7.86	-60.23
CC(C(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@H+](C)CC1=CC=CC=C1	REAL300003816920	0	46	0.0	-57.24	367.04	10.00	-47.24
CC(C(=O)NC(C(=O)[O-])C1=CC=CC=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003816920	1	46	0.0	-58.19	367.53	9.93	-48.26
O=C([O-])C(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300003816928	0	53	0.0	-60.14	409.34	12.28	-47.86
O=C([O-])C(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300003816928	1	53	0.0	-56.27	407.91	12.23	-44.04
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300003816945	0	42	0.0	-79.67	346.32	8.05	-71.62
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300003816952	0	51	0.0	-69.18	390.66	9.89	-59.29
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=CC=C1	REAL300003816959	1	41	0.0	-56.66	338.01	8.78	-47.88
O=C([O-])C(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=CC=CC=C1	REAL300003816972	0	47	0.0	-83.23	375.54	10.62	-72.61
O=C([O-])C(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=CC=CC=C1	REAL300003816977	0	50	0.0	-75.12	391.68	11.36	-63.76
CCN1CCC([NH+]2CCC(C(=O)NC(C(=O)[O-])C3=CC=CC=C3)CC2)CC1	REAL300003816983	0	58	0.0	-70.13	423.47	8.68	-61.45
CC1C[NH+](CC2=CC=C(C(=O)NC(C(=O)[O-])C3=CC=CC=C3)C=C2)CC(C)O1	REAL300003816990	1	54	0.0	-85.79	425.61	10.35	-75.44
O=C([O-])C(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1=CC=CC=C1	REAL300003817000	1	51	0.0	-78.47	400.10	10.44	-68.03
O=C([O-])C(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=CC=CC=C1	REAL300003817000	1	51	0.0	-78.50	406.70	10.56	-67.94
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C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003819942	0	43	0.0	-73.96	355.95	8.61	-65.35
O=C([O-])C(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003819969	0	38	0.0	-69.89	341.46	10.47	-59.42
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CCCCC1	REAL300003819991	0	52	0.0	-69.31	398.15	10.36	-58.95
C[N@H+](CCC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300003819995	0	52	0.0	-65.16	409.47	10.62	-54.54
C[N@@H+](CCC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300003819995	1	52	0.0	-66.18	409.71	10.55	-55.63
C[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820007	0	40	0.0	-57.99	337.00	7.91	-50.08
C[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820007	1	40	0.0	-55.67	337.17	8.00	-47.67
C[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003820048	0	43	0.0	-73.96	355.95	8.61	-65.35
CC1=[NH+]C=CN1CCCC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820082	1	44	0.0	-65.31	382.03	9.92	-55.39
O=C([O-])C(NC(=O)CCCC[NH+]1CCOCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820083	1	50	0.0	-73.91	409.57	8.54	-65.37
C[C@@H](C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300003820087	0	39	0.0	-60.39	329.40	7.37	-53.02
C[N@@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820088	0	40	0.0	-61.67	331.37	7.51	-54.16
C[N@H+]1CCC[C@@H]1C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820088	1	40	0.0	-56.78	337.41	8.09	-48.69
C[C@H](C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300003820091	0	39	0.0	-59.81	329.27	7.43	-52.38
CCC(C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC	REAL300003820144	0	48	0.0	-52.70	377.57	9.32	-43.38
CC(C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300003820146	0	49	0.0	-58.22	406.09	10.95	-47.27
CC(C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003820146	1	49	0.0	-57.70	405.95	11.04	-46.66
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=N1	REAL300003820159	0	45	0.0	-76.65	385.03	8.66	-67.99
CCC[NH+](CCC)CCCC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820161	0	54	0.0	-68.34	429.39	10.87	-57.47
C[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003820162	1	41	0.0	-77.79	349.04	7.43	-70.36
C[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003820162	1	41	0.0	-77.81	348.67	7.40	-70.41
CC(C)C1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820170	1	44	0.0	-56.38	376.70	9.77	-46.61
C[NH+](C)CC1(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003820181	0	43	0.0	-53.36	360.91	8.73	-44.63
C[NH+](C)CCCCC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820185	0	45	0.0	-72.56	376.43	9.17	-63.39
O=C([O-])C(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820204	1	46	0.0	-77.11	394.51	9.12	-67.99
C[NH+](C)CCC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300003820205	0	49	0.0	-86.46	412.26	11.33	-75.13
CNC1=[NH+]C(C)=CC=C1C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820209	1	42	0.0	-58.01	360.39	8.12	-49.89
CCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820213	0	42	0.0	-58.54	350.29	8.45	-50.09
CCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820213	1	42	0.0	-59.06	350.52	8.36	-50.70
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CCC1	REAL300003820226	0	43	0.0	-56.40	357.28	9.01	-47.39
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CCC1	REAL300003820226	1	43	0.0	-57.14	357.43	8.94	-48.20
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)CC(C)(C)C	REAL300003820242	0	48	0.0	-58.34	380.93	9.44	-48.90
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)CC(C)(C)C	REAL300003820242	1	48	0.0	-57.81	380.83	9.57	-48.24
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820244	0	49	0.0	-61.78	410.44	11.40	-50.38
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820244	1	49	0.0	-61.17	410.20	11.46	-49.71
CC[C@@H](C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300003820246	0	42	0.0	-57.25	341.12	8.03	-49.22
C[N@@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003820248	0	47	0.0	-66.99	378.79	7.37	-59.62
C[N@H+]1CCCC(O)(CC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003820248	1	47	0.0	-67.24	368.83	7.28	-59.96
CCCCCC[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820259	0	51	0.0	-59.56	414.79	10.79	-48.77
CCCCCC[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820259	1	51	0.0	-59.21	414.44	10.77	-48.44
O=C([O-])C(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820274	1	38	0.0	-77.27	341.73	10.47	-66.80
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CCSC1	REAL300003820282	0	44	0.0	-62.44	370.55	9.21	-53.23
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CCSC1	REAL300003820282	1	44	0.0	-64.31	370.63	9.18	-55.13
O=C([O-])C(NC(=O)C1CCCC2CCC[N@@H+]21)C1=CC=CC(C(F)(F)F)=C1	REAL300003820296	0	47	0.0	-53.80	375.76	9.80	-44.00
O=C([O-])C(NC(=O)C1CCCC2CCC[N@H+]21)C1=CC=CC(C(F)(F)F)=C1	REAL300003820296	1	47	0.0	-52.58	376.01	9.79	-42.79
C[NH+](C)CCN1C=C(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=N1	REAL300003820297	0	46	0.0	-80.01	395.39	8.52	-71.49
C[NH+](C)CCN1C=CC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300003820323	0	46	0.0	-86.47	396.35	8.51	-77.96
C[NH+](C)CCN1N=CC=C1C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820324	0	46	0.0	-55.75	390.91	8.44	-47.31
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC[N@@H+]1C	REAL300003820326	0	43	0.0	-67.27	344.11	7.93	-59.34
C[C@@H]1[C@H](C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC[N@H+]1C	REAL300003820326	1	43	0.0	-68.14	353.36	8.44	-59.70
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820327	1	47	0.0	-60.94	397.01	10.24	-50.70
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC[N@@H+]1C	REAL300003820330	0	46	0.0	-66.33	367.77	8.73	-57.60
CC[C@@H]1[C@@H](C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC[N@H+]1C	REAL300003820330	1	46	0.0	-61.80	372.42	9.25	-52.55
CC1C[N@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)O1	REAL300003820336	1	44	0.0	-77.48	363.16	8.11	-69.37
CC1C[N@@H+](C)CC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)O1	REAL300003820336	1	44	0.0	-77.16	363.28	8.21	-68.95
O=C([O-])C(NC(=O)C[NH+]1CCCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820341	0	40	0.0	-58.92	336.78	8.09	-50.83
CC1=[NH+]C=CN1CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820343	1	38	0.0	-58.13	340.49	8.64	-49.49
CC(C[NH+]1CCOCC1)C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820345	0	47	0.0	-65.80	382.62	7.69	-58.11
CC1CC[NH+](CC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003820364	0	46	0.0	-58.75	374.02	9.52	-49.23
CC[N@@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003820375	1	44	0.0	-70.96	366.79	8.09	-62.87
CC[N@H+]1CCOC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003820375	1	44	0.0	-53.60	358.80	7.94	-45.66
O=C([O-])C(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820400	0	53	0.0	-61.69	416.54	10.94	-50.75
O=C([O-])C(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820400	1	53	0.0	-66.30	416.56	10.82	-55.48
C[N@@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820405	0	46	0.0	-70.80	375.22	9.31	-61.49
C[N@H+]1CCCC1CCC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820405	1	46	0.0	-67.98	373.54	8.99	-58.99
O=C([O-])C(NC(=O)C1CCC2CCCC[N@@H+]21)C1=CC=CC(C(F)(F)F)=C1	REAL300003820413	0	47	0.0	-54.67	379.47	9.94	-44.73
O=C([O-])C(NC(=O)C1CCC2CCCC[N@H+]21)C1=CC=CC(C(F)(F)F)=C1	REAL300003820413	1	47	0.0	-58.83	372.35	9.45	-49.38
CC[NH+](CC)CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820432	0	42	0.0	-57.73	347.16	8.38	-49.35
CC(C)[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003820434	0	49	0.0	-69.87	386.35	9.64	-60.23
O=C([O-])C(NC(=O)C12CC[NH+](CC1)C2)C1=CC=CC(C(F)(F)F)=C1	REAL300003820497	0	41	0.0	-69.50	342.68	7.54	-61.96
CCC(C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)[NH+](C)C	REAL300003820500	0	42	0.0	-61.85	343.91	8.12	-53.73
O=C([O-])C(NC(=O)C12CC[N@H+](C1)CCC2)C1=CC=CC(C(F)(F)F)=C1	REAL300003820507	0	44	0.0	-69.24	352.88	8.22	-61.02
O=C([O-])C(NC(=O)C12CC[N@@H+](C1)CCC2)C1=CC=CC(C(F)(F)F)=C1	REAL300003820507	1	44	0.0	-68.40	353.22	8.18	-60.22
CC1CCC(C)[NH+]1CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820537	0	46	0.0	-55.57	368.19	9.03	-46.54
C[NH+](C)CC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300003820538	0	46	0.0	-75.99	389.78	10.47	-65.52
C#CC[NH+]1CCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003820575	0	45	0.0	-72.79	380.39	9.84	-62.95
CC[NH+]1CCN(CCC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003820577	0	51	0.0	-71.04	409.17	7.65	-63.39
CCN1CC[NH+](CCC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003820577	1	51	0.0	-64.98	409.91	7.60	-57.38
CC(C)[N@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820578	0	42	0.0	-56.43	345.71	8.15	-48.28
CC(C)[N@@H+](C)CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820578	1	42	0.0	-55.80	345.52	8.23	-47.57
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820582	1	47	0.0	-60.35	396.71	10.10	-50.25
CC[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300003820587	0	43	0.0	-54.83	360.26	9.07	-45.76
CC[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300003820587	1	43	0.0	-56.88	357.67	8.94	-47.94
CC(C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)[NH+]1CCCCCC1	REAL300003820602	0	49	0.0	-59.04	375.83	9.65	-49.39
C[N@@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820605	0	40	0.0	-58.01	337.32	7.93	-50.08
C[N@H+]1CCC[C@H]1C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820605	1	40	0.0	-61.71	331.65	7.52	-54.19
CC(C)(C)[NH2+]CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820653	0	42	0.0	-57.34	350.25	6.67	-50.67
CC[NH+](CC)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)O1	REAL300003820654	0	49	0.0	-74.68	411.43	10.21	-64.47
O=C([O-])C(NC(=O)CCCC[NH+]1CCCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820655	0	49	0.0	-70.80	402.39	10.34	-60.46
C[N@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)CC1=CC=CC=C1	REAL300003820657	1	46	0.0	-62.30	387.95	10.55	-51.75
C[N@@H+](CC(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)CC1=CC=CC=C1	REAL300003820657	1	46	0.0	-61.60	387.81	10.62	-50.98
O=C([O-])C(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820679	1	41	0.0	-77.65	370.62	8.39	-69.26
C[NH+](C)CC1=CC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=NO1	REAL300003820691	1	42	0.0	-78.11	369.77	7.96	-70.15
CC(C)[N@@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820702	0	46	0.0	-56.74	373.52	9.17	-47.57
CC(C)[N@H+]1CCCC1C(=O)NC(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003820702	1	46	0.0	-55.90	370.00	9.00	-46.90
C[NH+]1CCC(OCC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003820716	0	47	0.0	-77.31	391.26	9.05	-68.26
CCC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003820821	0	49	0.0	-65.34	394.82	10.04	-55.30
CCC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003820821	1	49	0.0	-55.80	388.82	10.19	-45.61
O=C([O-])C(NC(=O)C[NH+]1CCC(CO)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300003820837	1	47	0.0	-59.62	385.10	6.14	-53.48
CC(C)[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003820964	0	49	0.0	-55.32	383.94	9.95	-45.37
CC(C)[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003820964	1	49	0.0	-54.29	383.38	10.03	-44.26
C[N@@H+]1CC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C(C(F)(F)F)C1	REAL300003820965	0	43	0.0	-60.82	374.99	8.80	-52.02
C[N@H+]1CC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C(C(F)(F)F)C1	REAL300003820965	1	43	0.0	-67.05	365.17	9.15	-57.90
CC1=C(C)[NH+]=C(CCC(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)N1	REAL300003820985	1	44	0.0	-60.80	381.54	8.24	-52.56
C[NH+](C)CCC1=CC=CC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300003821273	0	49	0.0	-78.55	412.27	11.32	-67.23
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003821365	0	43	0.0	-66.26	361.05	8.68	-57.58
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300003821369	0	49	0.0	-55.91	382.34	9.72	-46.19
CC1=[NH+]C=C2C=CC(C(=O)NC(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)=CN12	REAL300003821372	0	41	0.0	-65.81	362.67	10.31	-55.50
CC(C)C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003821411	0	52	0.0	-62.66	411.85	10.70	-51.96
CC(C)C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003821411	1	52	0.0	-56.96	406.56	10.89	-46.07
CC[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003821412	0	46	0.0	-63.78	373.91	9.24	-54.54
CC[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003821412	1	46	0.0	-63.32	373.33	9.30	-54.02
C[N@@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003821417	0	43	0.0	-54.62	348.75	8.83	-45.79
C[N@H+]1CCCC(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300003821417	1	43	0.0	-67.86	355.88	8.56	-59.30
C[NH+](C)CC1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)O1	REAL300003821419	1	43	0.0	-78.23	375.86	8.77	-69.46
O=C([O-])C(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300003821427	1	45	0.0	-63.59	369.20	10.13	-53.46
O=C([O-])C(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300003821427	1	45	0.0	-62.13	375.31	9.67	-52.46
C[C@@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)N=C1	REAL300003821511	0	45	0.0	-53.14	368.17	7.48	-45.66
C[C@@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)N=C1	REAL300003821511	1	45	0.0	-51.24	363.48	7.58	-43.66
CC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1C1=CSC=C1	REAL300003821651	0	47	0.0	-49.85	375.67	10.39	-39.46
CC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1C1=CSC=C1	REAL300003821651	1	47	0.0	-49.69	370.41	10.38	-39.31
O=C([O-])C(CC1CC1)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003822961	0	50	0.0	-76.17	388.29	10.71	-65.46
O=C([O-])C(CC1CC1)NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300003823735	0	47	0.0	-58.66	365.80	9.54	-49.12
O=C([O-])C(CC1CC1)NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300003823735	1	47	0.0	-58.00	366.02	9.51	-48.49
O=C([O-])C(CC1CC1)NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300003824514	0	50	0.0	-65.18	383.43	10.11	-55.07
CC1=NC(C[NH+]2CCC(C(=O)NC(CC3CC3)C(=O)[O-])CC2)=CS1	REAL300003824575	1	49	0.0	-73.94	396.56	8.43	-65.51
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300003824632	0	53	0.0	-78.22	422.37	10.12	-68.10
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300003824645	0	53	0.0	-78.89	422.89	12.52	-66.37
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300003824645	1	53	0.0	-77.42	422.02	12.55	-64.87
CC1(C(=O)NC(CC2CC2)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300003824646	0	53	0.0	-70.82	402.27	10.96	-59.86
O=C([O-])C(CC1CC1)NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003824684	0	50	0.0	-56.10	403.88	10.65	-45.45
O=C([O-])C(CC1CC1)NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003824684	1	50	0.0	-65.56	404.34	10.90	-54.66
O=C([O-])C(CC1CC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300003824738	1	50	0.0	-61.60	380.20	10.44	-51.16
O=C([O-])C(CC1CC1)NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300003824738	1	50	0.0	-63.04	393.05	10.65	-52.39
O=C([O-])C(CC1CC1)NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300003824739	1	47	0.0	-64.52	380.14	10.14	-54.38
O=C([O-])C(CC1CC1)NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300003824739	1	47	0.0	-52.22	369.39	9.61	-42.61
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003824787	0	43	0.0	-77.96	356.45	8.12	-69.84
C[NH+](C)CCN1N=CC(C(=O)NC(CC2CC2)C(=O)[O-])=C1C1=CC=CC=C1	REAL300003824792	0	53	0.0	-79.29	420.51	10.22	-69.07
O=C([O-])C(CC1CC1)NC(=O)C1CCCC[N@@H+]1C1CCCC1	REAL300003824816	0	50	0.0	-56.13	358.49	9.34	-46.79
O=C([O-])C(CC1CC1)NC(=O)C1CCCC[N@H+]1C1CCCC1	REAL300003824816	1	50	0.0	-55.80	360.46	9.42	-46.38
O=C([O-])C(CC1CC1)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003824817	0	51	0.0	-75.73	379.77	7.71	-68.02
CC[N@H+](CC1=CC=C(C(=O)NC(CC2CC2)C(=O)[O-])C=C1)C(C)C	REAL300003824839	0	52	0.0	-80.13	387.35	10.39	-69.74
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2CC2)C(=O)[O-])C=C1)C(C)C	REAL300003824839	1	52	0.0	-79.16	385.49	10.33	-68.83
O=C([O-])C(CC1CC1)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003824860	0	47	0.0	-66.70	371.59	9.82	-56.88
O=C([O-])C(CC1CC1)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003824860	1	47	0.0	-65.93	372.80	9.99	-55.94
O=C([O-])C(CC1CC1)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003824861	0	48	0.0	-74.89	371.84	9.33	-65.56
C[NH+]1CCN(C(C(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300003824882	1	52	0.0	-69.20	401.95	8.61	-60.59
O=C(CC1([NH+]2CCOCC2)CCCC1)NC(CC1CC1)C(=O)[O-]	REAL300003824883	0	51	0.0	-66.93	364.77	7.28	-59.65
CC(C(=O)NC(CC1CC1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003824886	0	46	0.0	-61.90	362.95	9.42	-52.48
CC(C(=O)NC(CC1CC1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003824886	1	46	0.0	-56.38	361.98	9.47	-46.91
O=C([O-])C(CC1CC1)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003824893	0	53	0.0	-70.63	411.68	11.48	-59.15
O=C([O-])C(CC1CC1)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003824893	1	53	0.0	-55.25	403.16	11.69	-43.56
O=C([O-])C(CC1CC1)NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300003824930	1	51	0.0	-52.34	395.30	7.42	-44.92
CC[N@H+](C)C(C(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC=C1	REAL300003824931	0	46	0.0	-50.75	360.56	9.59	-41.16
CC[N@@H+](C)C(C(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC=C1	REAL300003824931	1	46	0.0	-57.69	361.44	9.56	-48.13
CC[NH+](CC)C(C(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC=C1	REAL300003824936	0	49	0.0	-49.88	364.18	9.46	-40.42
C[NH+](C)C(C(=O)NC(CC1CC1)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300003824939	1	43	0.0	-54.92	359.93	9.33	-45.59
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003824953	0	47	0.0	-80.40	370.99	10.08	-70.32
O=C([O-])C(CC1CC1)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003824959	0	50	0.0	-74.03	387.75	10.77	-63.26
CCN1CCC([NH+]2CCC(C(=O)NC(CC3CC3)C(=O)[O-])CC2)CC1	REAL300003824965	0	58	0.0	-73.23	418.93	8.16	-65.07
CC1C[NH+](CC2=CC=C(C(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC(C)O1	REAL300003824971	1	54	0.0	-83.12	421.07	9.81	-73.31
O=C([O-])C(CC1CC1)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003824982	1	51	0.0	-78.03	395.86	9.86	-68.17
O=C([O-])C(CC1CC1)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003824982	1	51	0.0	-77.58	402.13	10.02	-67.56
O=C([O-])C(CC1CC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300003824997	0	50	0.0	-53.63	377.54	10.36	-43.27
O=C([O-])C(CC1CC1)NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300003824997	1	50	0.0	-59.71	377.75	10.29	-49.42
CC1=C(C(=O)NC(CC2CC2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003824999	1	41	0.0	-79.12	344.06	7.27	-71.85
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003825007	0	50	0.0	-80.98	387.43	10.74	-70.24
O=C([O-])C(CC1CC1)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003825018	1	43	0.0	-76.95	351.71	7.47	-69.48
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300003825019	0	46	0.0	-84.02	368.67	9.77	-74.25
O=C([O-])C(CC1CC1)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003825026	1	48	0.0	-68.13	382.12	9.46	-58.67
O=C([O-])C(CC1CC1)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003825026	1	48	0.0	-55.48	374.11	9.34	-46.14
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC(CC1CC1)C(=O)[O-]	REAL300003825030	0	57	0.0	-64.92	432.74	12.14	-52.78
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC(CC1CC1)C(=O)[O-]	REAL300003825030	1	57	0.0	-63.16	429.02	12.16	-51.00
CC(C(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003825038	0	56	0.0	-56.08	426.26	11.89	-44.19
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CC1)C(=O)[O-]	REAL300003825070	0	46	0.0	-61.79	367.17	9.89	-51.90
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CC1)C(=O)[O-]	REAL300003825070	1	46	0.0	-61.84	367.17	9.89	-51.95
COCCOCC[N@H+](C)CCC(=O)NC(CC1CC1)C(=O)[O-]	REAL300003825071	0	50	0.0	-64.43	396.47	5.99	-58.44
COCCOCC[N@@H+](C)CCC(=O)NC(CC1CC1)C(=O)[O-]	REAL300003825071	1	50	0.0	-68.09	396.73	5.94	-62.15
O=C([O-])C(CC1CC1)NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003825080	0	55	0.0	-72.09	422.09	9.64	-62.45
CC(C)[NH+]1CCN(CCC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300003825109	0	51	0.0	-71.27	377.44	6.26	-65.01
CC(C)N1CC[NH+](CCC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300003825109	1	51	0.0	-65.04	380.20	6.43	-58.61
CC(C)[NH+]1CCN(CCCC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300003825110	0	54	0.0	-68.55	405.15	7.36	-61.19
CC(C)N1CC[NH+](CCCC(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300003825110	1	54	0.0	-67.67	400.36	7.24	-60.43
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CC3CC3)C(=O)[O-])CC2)=C1	REAL300003825115	0	55	0.0	-68.96	422.24	9.44	-59.52
O=C([O-])C(CC1CC1)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003825116	0	52	0.0	-67.61	400.00	8.81	-58.80
O=C([O-])C(CC1CC1)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003825120	0	49	0.0	-65.99	384.34	8.72	-57.27
O=C([O-])C(CC1CC1)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003825120	1	49	0.0	-68.22	384.26	8.71	-59.51
CC(C(=O)NC(CC1CC1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003825124	1	47	0.0	-55.92	363.76	9.89	-46.03
CC(C(=O)NC(CC1CC1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003825124	1	47	0.0	-58.78	362.84	10.06	-48.72
O=C([O-])C(CC1CC1)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003825150	0	50	0.0	-72.70	393.43	10.53	-62.17
O=C([O-])C(CC1CC1)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003825150	1	50	0.0	-72.94	393.88	10.61	-62.33
O=C([O-])C(CC1CC1)NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003825175	0	50	0.0	-68.19	396.11	10.58	-57.61
O=C([O-])C(CC1CC1)NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003825175	1	50	0.0	-61.52	389.80	10.78	-50.74
O=C([O-])C(CC1CC1)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003825178	0	51	0.0	-68.23	398.86	8.13	-60.10
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300003825208	1	50	0.0	-73.21	388.99	9.04	-64.17
O=C([O-])C(CC1CC1)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003825209	0	50	0.0	-66.41	373.86	9.16	-57.25
O=C([O-])C(CC1CC1)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003825209	1	50	0.0	-65.83	374.48	9.27	-56.56
O=C([O-])C(CC1CC1)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300003825224	0	55	0.0	-64.57	420.39	9.93	-54.64
O=C([O-])C(CC1CC1)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300003825224	1	55	0.0	-68.49	423.66	9.53	-58.96
CC(C)[N@@H+]1CCC(C(=O)NC(CC2CC2)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003825230	0	56	0.0	-72.98	417.12	9.21	-63.77
CC(C)[N@H+]1CCC(C(=O)NC(CC2CC2)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003825230	1	56	0.0	-70.65	426.58	9.39	-61.26
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300003825231	0	50	0.0	-65.71	375.94	7.59	-58.12
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300003825231	1	50	0.0	-65.96	373.74	7.43	-58.53
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC3CC3)C(=O)[O-])=C2)CC1	REAL300003825236	0	52	0.0	-74.98	404.87	8.35	-66.63
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300003825237	0	52	0.0	-82.31	404.80	8.35	-73.96
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300003825237	1	52	0.0	-80.88	403.43	8.27	-72.61
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300003825238	0	53	0.0	-78.65	406.53	9.85	-68.80
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003825310	0	54	0.0	-83.08	419.42	8.09	-74.99
O=C([O-])C(CC1CC1)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003825312	0	50	0.0	-63.79	389.69	10.51	-53.28
O=C([O-])C(CC1CC1)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003825312	1	50	0.0	-60.58	383.13	10.77	-49.81
O=C([O-])C(CC1CC1)NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003825366	0	48	0.0	-63.83	381.32	6.92	-56.91
O=C([O-])C(CC1CC1)NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003825366	1	48	0.0	-61.91	381.39	6.90	-55.01
C[NH+](C)CC1=C(C(=O)NC(CC2CC2)C(=O)[O-])OC2=CC=CC=C21	REAL300003825370	0	46	0.0	-54.40	367.89	9.14	-45.26
CC[NH+](CC)C(C(=O)NC(CC1CC1)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003825372	0	52	0.0	-51.14	402.92	10.46	-40.68
CC(C)C(C(=O)NC(CC1CC1)C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300003825397	1	53	0.0	-57.30	380.74	7.92	-49.38
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CC3)C(=O)[O-])=CC=C1N2	REAL300003825419	1	48	0.0	-80.68	380.15	9.41	-71.27
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CC3)C(=O)[O-])=CC=C1N2	REAL300003825419	1	48	0.0	-81.22	381.70	9.21	-72.01
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2CC2)C(=O)[O-])O1	REAL300003825469	0	46	0.0	-75.36	368.50	8.58	-66.78
CC1=CC=C(N2CCC(C(=O)NC(CC3CC3)C(=O)[O-])CC2)[NH+]=C1	REAL300003825471	1	49	0.0	-69.65	382.34	8.45	-61.20
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(CC3CC3)C(=O)[O-])C=C2)CC1	REAL300003825474	0	55	0.0	-82.50	414.20	9.31	-73.19
O=C([O-])C(CC1CC1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003825483	1	38	0.0	-76.61	326.50	6.92	-69.69
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CC1)C(=O)[O-]	REAL300003825514	0	50	0.0	-74.37	392.65	10.46	-63.91
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CC1)C(=O)[O-]	REAL300003825514	1	50	0.0	-66.12	384.02	10.29	-55.83
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300003825530	0	51	0.0	-82.45	411.04	9.77	-72.68
O=C([O-])C(CC1CC1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003825546	0	47	0.0	-77.28	374.69	9.02	-68.26
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC(CC2CC2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003825572	0	49	0.0	-61.88	382.06	8.61	-53.27
CC(C)(C)[N@H+]1C[C@H](C(=O)NC(CC2CC2)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003825572	1	49	0.0	-66.76	381.27	8.63	-58.13
O=C([O-])C(CC1CC1)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300003825765	0	51	0.0	-63.80	397.38	10.81	-52.99
O=C([O-])C(CC1CC1)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300003825765	1	51	0.0	-69.83	399.77	10.78	-59.05
O=C([O-])C(CC1CC1)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300003825793	1	50	0.0	-64.79	393.34	10.60	-54.19
O=C([O-])C(CC1CC1)NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300003825793	1	50	0.0	-58.54	393.59	10.53	-48.01
C[N@@H+]1CC(C(=O)NC(CC2CC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003825856	0	40	0.0	-70.19	315.39	7.12	-63.07
C[N@H+]1CC(C(=O)NC(CC2CC2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003825856	1	40	0.0	-67.73	321.73	7.06	-60.67
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300003826213	0	46	0.0	-78.53	369.19	9.64	-68.89
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300003826217	0	47	0.0	-80.61	375.14	8.77	-71.84
O=C([O-])C(CC1CC1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003826282	0	53	0.0	-66.26	407.74	11.38	-54.88
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC3CC3)C(=O)[O-])C=C2)CCO1	REAL300003826284	1	51	0.0	-82.17	392.71	9.14	-73.03
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC3CC3)C(=O)[O-])C=C2)CCO1	REAL300003826284	1	51	0.0	-83.92	393.88	9.04	-74.88
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)C1CCC[N@@H+]1C1CC1	REAL300003827045	0	48	0.0	-63.34	392.11	8.66	-54.68
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)C1CCC[N@H+]1C1CC1	REAL300003827045	1	48	0.0	-57.24	385.24	8.38	-48.86
C[NH+](C)CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827077	0	40	0.0	-58.67	340.85	6.68	-51.99
C[N@@H+]1CCCCC1C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827078	0	47	0.0	-58.01	371.39	8.12	-49.89
C[N@H+]1CCCCC1C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827078	1	47	0.0	-54.42	382.76	8.29	-46.13
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827095	0	47	0.0	-59.35	382.75	8.30	-51.05
C[N@H+]1CCCC[C@H]1C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827095	1	47	0.0	-55.74	373.51	8.11	-47.63
C[NH+]1CCC(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300003827112	0	47	0.0	-72.05	385.39	8.35	-63.70
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300003827129	0	42	0.0	-67.55	371.01	10.20	-57.35
C[N@@H+]1CCCC1C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827152	0	44	0.0	-54.68	366.41	7.79	-46.89
C[N@H+]1CCCC1C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827152	1	44	0.0	-54.20	360.84	7.24	-46.96
C[NH+]1CCC(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300003827179	0	47	0.0	-72.05	385.39	8.35	-63.70
CC1=[NH+]C=CN1CCCC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827200	1	48	0.0	-65.44	411.76	9.59	-55.85
C[C@@H](C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-])[NH+](C)C	REAL300003827204	0	43	0.0	-54.57	358.71	7.16	-47.41
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827205	0	44	0.0	-54.79	358.16	7.23	-47.56
C[N@H+]1CCC[C@@H]1C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827205	1	44	0.0	-55.86	365.66	7.68	-48.18
C[C@H](C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-])[NH+](C)C	REAL300003827209	0	43	0.0	-58.61	358.98	7.11	-51.50
C[NH+](C)C1(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300003827217	0	44	0.0	-67.01	360.87	7.70	-59.31
CCC(C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-])[NH+](CC)CC	REAL300003827264	0	52	0.0	-50.02	406.87	9.12	-40.90
C[N@@H+]1CCOC(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])C1	REAL300003827274	1	45	0.0	-77.19	378.22	7.15	-70.04
C[N@H+]1CCOC(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])C1	REAL300003827274	1	45	0.0	-54.19	371.02	6.99	-47.20
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827280	1	48	0.0	-54.32	406.26	9.50	-44.82
C[NH+](C)CC1(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300003827287	0	47	0.0	-55.21	392.64	8.45	-46.76
C[NH+](C)CCCCC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827291	0	49	0.0	-70.16	405.97	8.89	-61.27
CC(C)C(C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-])[NH+](C)C	REAL300003827300	0	49	0.0	-59.48	387.65	8.88	-50.60
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827310	1	46	0.0	-58.29	390.09	7.78	-50.51
CCC[N@H+](C)CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827314	0	46	0.0	-56.96	380.07	8.11	-48.85
CCC[N@@H+](C)CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827314	1	46	0.0	-59.50	380.01	8.12	-51.38
C[N@H+](CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-])C1CCC1	REAL300003827323	0	47	0.0	-54.18	386.83	8.74	-45.44
C[N@@H+](CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-])C1CCC1	REAL300003827323	1	47	0.0	-56.59	386.07	8.70	-47.89
C[N@H+](CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-])CC(C)(C)C	REAL300003827332	0	52	0.0	-55.82	408.44	9.17	-46.65
C[N@@H+](CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-])CC(C)(C)C	REAL300003827332	1	52	0.0	-58.09	409.74	9.27	-48.82
CC[C@@H](C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-])[NH+](C)C	REAL300003827334	0	46	0.0	-58.55	371.44	7.70	-50.85
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)C12CCC[NH+]1CCC2	REAL300003827358	0	48	0.0	-64.65	385.58	8.69	-55.96
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300003827364	1	42	0.0	-74.29	371.04	10.28	-64.01
CCCC(C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-])[NH+](C)C	REAL300003827389	0	49	0.0	-57.26	392.63	8.52	-48.74
C[C@@H]1[C@H](C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300003827396	0	47	0.0	-72.49	377.11	7.74	-64.75
C[C@@H]1[C@H](C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300003827396	1	47	0.0	-69.08	381.49	8.11	-60.97
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])CC[N@@H+]1C	REAL300003827399	0	50	0.0	-66.97	397.43	8.39	-58.58
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])CC[N@H+]1C	REAL300003827399	1	50	0.0	-66.87	401.80	8.89	-57.98
C#CC[N@H+]1CCC[C@H]1C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827401	1	46	0.0	-59.05	387.41	8.46	-50.59
C#CC[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827401	1	46	0.0	-57.91	393.09	9.04	-48.87
CC1C[N@H+](C)CC(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])O1	REAL300003827404	1	48	0.0	-69.12	392.44	7.92	-61.20
CC1C[N@@H+](C)CC(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])O1	REAL300003827404	1	48	0.0	-76.94	392.69	7.85	-69.09
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)C[NH+]1CCCC1	REAL300003827407	0	44	0.0	-55.93	364.80	7.70	-48.23
CC1=[NH+]C=CN1CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827409	1	42	0.0	-56.09	370.02	8.37	-47.72
CC1CC[NH+](CC(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300003827425	0	50	0.0	-56.44	403.57	9.25	-47.19
CC[N@@H+]1CCOC(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])C1	REAL300003827428	1	48	0.0	-70.67	395.75	7.85	-62.82
CC[N@H+]1CCOC(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])C1	REAL300003827428	1	48	0.0	-78.60	395.95	7.79	-70.81
C[N@@H+]1CCCC1CCC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827440	0	50	0.0	-71.07	403.53	9.06	-62.01
C[N@H+]1CCCC1CCC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827440	1	50	0.0	-64.46	402.78	8.70	-55.76
C[N@@H+]1CC(O)CC1(C)C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827445	0	48	0.0	-61.89	389.20	4.87	-57.02
C[N@H+]1CC(O)CC1(C)C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827445	1	48	0.0	-65.17	388.37	4.76	-60.41
CC[NH+](CC)CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827452	0	46	0.0	-54.47	372.20	7.84	-46.63
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)C12CC[NH+](CC1)C2	REAL300003827483	0	45	0.0	-69.91	371.58	7.26	-62.65
CCC(C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-])[NH+](C)C	REAL300003827486	0	46	0.0	-56.68	371.25	7.68	-49.00
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300003827488	0	48	0.0	-77.45	381.95	7.96	-69.49
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300003827488	1	48	0.0	-70.35	381.40	8.09	-62.26
CC1CCC(C)[NH+]1CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827508	0	50	0.0	-53.63	397.88	8.56	-45.07
C[NH+](C)C1(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])CCC1	REAL300003827523	0	47	0.0	-65.54	369.78	8.12	-57.42
C#CC[NH+]1CCC(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300003827531	0	49	0.0	-73.69	409.73	9.59	-64.10
CC(C)[N@H+](C)CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827532	0	46	0.0	-54.96	375.27	7.89	-47.07
CC(C)[N@@H+](C)CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827532	1	46	0.0	-53.63	375.00	7.96	-45.67
CC[N@H+](CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-])C1CC1	REAL300003827540	0	47	0.0	-54.67	388.55	8.75	-45.92
CC[N@@H+](CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-])C1CC1	REAL300003827540	1	47	0.0	-54.79	386.88	8.71	-46.08
C[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827548	0	44	0.0	-55.67	366.77	7.74	-47.93
C[N@H+]1CCC[C@H]1C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827548	1	44	0.0	-61.96	359.96	7.28	-54.68
CC(C)(C)[NH2+]CC(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827579	0	46	0.0	-55.36	379.80	6.39	-48.97
CC(C)[C@@H](C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-])[NH+](C)C	REAL300003827585	0	49	0.0	-61.39	384.47	9.06	-52.33
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827608	0	50	0.0	-58.11	388.60	8.70	-49.41
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300003827608	1	50	0.0	-50.01	389.06	8.78	-41.23
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])N1	REAL300003827768	1	48	0.0	-59.99	410.19	8.01	-51.98
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])C1	REAL300003827989	0	47	0.0	-70.85	390.48	8.44	-62.41
CC[N@@H+]1CCCC(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])C1	REAL300003828012	0	50	0.0	-63.36	403.06	8.96	-54.40
CC[N@H+]1CCCC(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])C1	REAL300003828012	1	50	0.0	-65.61	403.02	8.96	-56.65
C[N@@H+]1CCCC(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])C1	REAL300003828016	0	47	0.0	-65.22	385.20	8.38	-56.84
C[N@H+]1CCCC(C(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])C1	REAL300003828016	1	47	0.0	-68.09	385.36	8.30	-59.79
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003828020	0	49	0.0	-62.60	391.63	8.92	-53.68
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300003828020	1	49	0.0	-70.10	394.69	9.69	-60.41
CC(C)(C)OC1=CC=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003828099	0	53	0.0	-47.17	390.90	8.54	-38.63
CC(C)(C)OC1=CC=CC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003828099	1	53	0.0	-48.76	397.10	8.56	-40.20
O=C([O-])C1CCC[N@H+](CC(=O)N2CC[C@H](OC3=CC=C(F)C=C3)C2)C1	REAL300003828228	0	48	0.0	-51.55	376.11	9.35	-42.20
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC[C@H](OC3=CC=C(F)C=C3)C2)C1	REAL300003828228	1	48	0.0	-51.00	373.72	9.23	-41.77
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)N=C1	REAL300003828361	0	45	0.0	-53.23	368.21	7.48	-45.75
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(C(F)(F)F)N=C1	REAL300003828361	1	45	0.0	-50.52	363.48	7.58	-42.94
C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003828473	0	55	0.0	-45.63	376.67	9.03	-36.60
C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003828473	1	55	0.0	-45.38	376.93	9.03	-36.35
CC(C)OC1(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CCC1	REAL300003828549	0	50	0.0	-45.26	365.68	7.18	-38.08
CC(C)OC1(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CCC1	REAL300003828549	1	50	0.0	-46.83	375.92	6.96	-39.87
CC1(C(F)(F)F)CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003828648	0	43	0.0	-49.31	335.74	8.19	-41.12
CC1(C(F)(F)F)CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003828648	1	43	0.0	-46.20	329.70	7.69	-38.51
O=C([O-])C(CO)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003829688	0	44	0.0	-76.44	346.84	4.90	-71.54
O=C([O-])C(CO)NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300003830867	0	44	0.0	-65.93	349.29	4.91	-61.02
CC1=NC(C[NH+]2CCC(C(=O)NC(CO)C(=O)[O-])CC2)=CS1	REAL300003830900	1	43	0.0	-75.94	354.56	2.71	-73.23
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CO)C(=O)[O-])C=C1	REAL300003830933	0	47	0.0	-80.17	379.96	4.52	-75.65
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CO)C(=O)[O-])=C1	REAL300003830938	0	47	0.0	-82.11	380.89	6.81	-75.30
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CO)C(=O)[O-])=C1	REAL300003830938	1	47	0.0	-80.68	380.41	6.82	-73.86
CC1(C(=O)NC(CO)C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300003830939	0	47	0.0	-56.09	358.03	5.34	-50.75
O=C([O-])C(CO)NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003830966	0	44	0.0	-69.04	361.85	5.26	-63.78
O=C([O-])C(CO)NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003830966	1	44	0.0	-59.03	362.62	5.29	-53.74
O=C([O-])C(CO)NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300003830995	1	41	0.0	-67.14	337.58	4.55	-62.59
O=C([O-])C(CO)NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300003830995	1	41	0.0	-61.53	335.05	4.38	-57.15
O=C([O-])C(CO)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003831031	0	37	0.0	-81.05	314.70	2.38	-78.67
C[NH+](C)CCN1N=CC(C(=O)NC(CO)C(=O)[O-])=C1C1=CC=CC=C1	REAL300003831035	0	47	0.0	-84.40	379.30	4.48	-79.92
O=C([O-])C(CO)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003831053	0	45	0.0	-79.38	337.75	1.99	-77.39
CC[N@H+](CC1=CC=C(C(=O)NC(CO)C(=O)[O-])C=C1)C(C)C	REAL300003831063	0	46	0.0	-79.19	352.24	4.84	-74.35
CC[N@@H+](CC1=CC=C(C(=O)NC(CO)C(=O)[O-])C=C1)C(C)C	REAL300003831063	1	46	0.0	-79.36	343.04	4.42	-74.94
O=C([O-])C(CO)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003831078	0	42	0.0	-74.93	325.85	3.36	-71.57
C[NH+]1CCN(C(C(=O)NC(CO)C(=O)[O-])C2=CC=CC=C2)CC1	REAL300003831095	1	46	0.0	-72.13	359.44	3.02	-69.11
O=C([O-])C(CO)NC(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003831096	0	45	0.0	-69.85	323.21	1.66	-68.19
O=C([O-])C(CO)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003831102	0	47	0.0	-63.70	363.42	5.98	-57.72
O=C([O-])C(CO)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003831102	1	47	0.0	-58.22	361.51	5.95	-52.27
O=C([O-])C(CO)NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300003831132	1	45	0.0	-60.96	353.45	1.68	-59.28
C[NH+](C)C(C(=O)NC(CO)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300003831136	1	37	0.0	-63.32	317.28	3.78	-59.54
O=C([O-])C(CO)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003831146	0	44	0.0	-77.27	345.75	5.07	-72.20
CCN1CCC([NH+]2CCC(C(=O)NC(CO)C(=O)[O-])CC2)CC1	REAL300003831151	0	52	0.0	-71.84	380.76	2.71	-69.13
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC(CO)C(=O)[O-])=C1	REAL300003831153	0	54	0.0	-67.45	429.53	8.43	-59.02
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC(CO)C(=O)[O-])=C1	REAL300003831153	1	54	0.0	-79.78	428.09	8.23	-71.55
CC1C[NH+](CC2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)CC(C)O1	REAL300003831157	1	48	0.0	-86.53	378.53	4.12	-82.41
O=C([O-])C(CO)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003831167	1	45	0.0	-80.89	353.59	4.20	-76.69
O=C([O-])C(CO)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003831167	1	45	0.0	-79.55	353.58	4.20	-75.35
O=C([O-])C(CO)NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300003831180	0	44	0.0	-61.21	344.53	4.91	-56.30
O=C([O-])C(CO)NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300003831180	1	44	0.0	-61.16	333.16	4.69	-56.47
O=C([O-])C(CO)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003831183	0	44	0.0	-83.09	344.95	5.04	-78.05
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NC(CO)C(=O)[O-]	REAL300003831190	0	54	0.0	-75.23	416.24	7.73	-67.50
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NC(CO)C(=O)[O-]	REAL300003831190	1	54	0.0	-72.34	418.07	7.82	-64.52
O=C([O-])C(CO)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003831193	1	42	0.0	-74.46	332.99	3.59	-70.87
O=C([O-])C(CO)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003831193	1	42	0.0	-59.04	333.10	3.57	-55.47
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC(CO)C(=O)[O-]	REAL300003831194	0	51	0.0	-68.26	390.09	6.59	-61.67
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC(CO)C(=O)[O-]	REAL300003831194	1	51	0.0	-65.94	383.04	6.27	-59.67
CC(C(=O)NC(CO)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003831201	0	50	0.0	-58.11	378.75	6.12	-51.99
O=C([O-])C(CO)NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003831221	0	49	0.0	-74.37	379.84	3.87	-70.50
CC(C)[NH+]1CCN(CCCC(=O)NC(CO)C(=O)[O-])CC1	REAL300003831238	0	48	0.0	-73.22	362.88	1.70	-71.52
CC(C)N1CC[NH+](CCCC(=O)NC(CO)C(=O)[O-])CC1	REAL300003831238	1	48	0.0	-70.20	358.71	1.50	-68.70
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CO)C(=O)[O-])CC2)=C1	REAL300003831239	0	49	0.0	-70.25	379.74	3.73	-66.52
O=C([O-])C(CO)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003831240	0	46	0.0	-70.83	358.83	3.05	-67.78
O=C([O-])C(CO)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003831242	0	43	0.0	-70.36	341.60	3.16	-67.20
O=C([O-])C(CO)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003831242	1	43	0.0	-71.08	341.87	3.10	-67.98
O=C([O-])C(CO)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003831264	0	44	0.0	-75.48	351.08	4.95	-70.53
O=C([O-])C(CO)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003831264	1	44	0.0	-74.33	348.84	4.93	-69.40
O=C([O-])C(CO)NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003831277	0	44	0.0	-68.81	346.83	5.20	-63.61
O=C([O-])C(CO)NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003831277	1	44	0.0	-71.74	353.55	4.97	-66.77
O=C([O-])C(CO)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003831279	0	45	0.0	-70.47	356.56	2.47	-68.00
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CO)C(=O)[O-])CC1	REAL300003831293	1	44	0.0	-81.25	343.42	3.20	-78.05
O=C([O-])C(CO)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300003831303	0	49	0.0	-72.31	379.53	3.89	-68.42
O=C([O-])C(CO)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300003831303	1	49	0.0	-73.71	374.99	3.55	-70.16
CC(C)[N@@H+]1CCC(C(=O)NC(CO)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003831305	0	50	0.0	-75.79	375.93	3.46	-72.33
CC(C)[N@H+]1CCC(C(=O)NC(CO)C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003831305	1	50	0.0	-62.93	368.81	2.96	-59.97
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC(CO)C(=O)[O-])C=N1	REAL300003831306	0	44	0.0	-70.63	332.01	1.79	-68.84
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC(CO)C(=O)[O-])C=N1	REAL300003831306	1	44	0.0	-76.06	349.90	2.59	-73.47
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CO)C(=O)[O-])=C2)CC1	REAL300003831309	0	46	0.0	-77.84	362.38	2.66	-75.18
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)CC1	REAL300003831310	0	46	0.0	-80.54	361.43	2.48	-78.06
CN1CC[NH+](CC2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)CC1	REAL300003831310	1	46	0.0	-83.80	361.77	2.54	-81.26
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CO)C(=O)[O-])C=C1	REAL300003831311	0	47	0.0	-82.10	368.69	4.37	-77.73
O=C([O-])C(CO)NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003831338	0	48	0.0	-86.60	376.94	2.39	-84.21
O=C([O-])C(CO)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003831340	0	44	0.0	-66.31	347.18	4.91	-61.40
O=C([O-])C(CO)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003831340	1	44	0.0	-67.37	346.97	4.95	-62.42
O=C([O-])C(CO)NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003831379	0	42	0.0	-65.27	339.76	1.22	-64.05
O=C([O-])C(CO)NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003831379	1	42	0.0	-63.82	338.87	1.21	-62.61
C[NH+](C)CC1=C(C(=O)NC(CO)C(=O)[O-])OC2=CC=CC=C21	REAL300003831382	0	40	0.0	-57.49	324.79	3.56	-53.93
CC[NH+](CC)C(C(=O)NC(CO)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003831384	0	46	0.0	-63.20	365.95	5.00	-58.20
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CO)C(=O)[O-])=CC=C1N2	REAL300003831414	1	42	0.0	-84.12	338.49	3.67	-80.45
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CO)C(=O)[O-])=CC=C1N2	REAL300003831414	1	42	0.0	-84.06	339.05	3.67	-80.39
CC1=CC=C(N2CCC(C(=O)NC(CO)C(=O)[O-])CC2)[NH+]=C1	REAL300003831443	1	43	0.0	-73.25	340.07	2.79	-70.46
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)CC1	REAL300003831445	0	49	0.0	-83.59	372.06	3.64	-79.95
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CO)C(=O)[O-]	REAL300003831462	0	44	0.0	-76.75	350.61	4.75	-72.00
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CO)C(=O)[O-]	REAL300003831462	1	44	0.0	-70.52	347.49	4.79	-65.73
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CO)C(=O)[O-])C=C1	REAL300003831474	0	45	0.0	-84.59	368.39	4.22	-80.37
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC(CO)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003831497	0	43	0.0	-63.86	340.03	2.90	-60.96
CC(C)(C)[N@H+]1C[C@H](C(=O)NC(CO)C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003831497	1	43	0.0	-68.62	338.66	3.00	-65.62
O=C([O-])C(CO)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300003831603	0	45	0.0	-68.51	354.38	5.23	-63.28
O=C([O-])C(CO)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300003831603	1	45	0.0	-78.50	355.78	5.25	-73.25
O=C([O-])C(CO)NC(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300003831880	0	52	0.0	-85.59	411.01	4.96	-80.63
O=C([O-])C(CO)NC(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300003831880	1	52	0.0	-86.78	412.21	4.83	-81.95
O=C([O-])C(CO)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003831905	0	47	0.0	-68.29	365.25	5.67	-62.62
CC1C[N@H+](CC2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)CCO1	REAL300003831906	1	45	0.0	-86.20	351.40	3.44	-82.76
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CO)C(=O)[O-])C=C2)CCO1	REAL300003831906	1	45	0.0	-84.94	351.11	3.41	-81.53
CC(C)(C)[N@@H+]1CC[C@H](C(=O)NC(CO)C(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300003831932	0	53	0.0	-69.09	386.51	6.11	-62.98
CC(C)(C)[N@H+]1CC[C@H](C(=O)NC(CO)C(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300003831932	1	53	0.0	-77.20	401.70	6.23	-70.97
CC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1Br	REAL300003832028	0	43	0.0	-47.92	349.99	8.59	-39.33
CC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1Br	REAL300003832028	1	43	0.0	-48.92	356.20	8.61	-40.31
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC2=CC=CC=C21	REAL300003832176	0	47	0.0	-47.51	349.92	10.09	-37.42
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC2=CC=CC=C21	REAL300003832176	1	47	0.0	-48.95	347.00	10.43	-38.52
CC(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300003832292	0	47	0.0	-50.45	379.53	8.04	-42.41
CC(NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300003832292	1	47	0.0	-51.53	380.70	8.07	-43.46
C[C@@H]1CC(C)(C)C[C@@](C)(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003832400	0	55	0.0	-46.38	376.76	9.89	-36.49
C[C@@H]1CC(C)(C)C[C@@](C)(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003832400	1	55	0.0	-46.99	377.95	9.92	-37.07
COCC(C)(C)CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003832462	0	49	0.0	-48.99	364.48	6.02	-42.97
COCC(C)(C)CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003832462	1	49	0.0	-49.69	365.12	6.04	-43.65
CCOC1=CC=C(N(C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003832549	0	47	0.0	-49.77	364.27	9.20	-40.57
CCOC1=CC=C(N(C)C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003832549	1	47	0.0	-51.35	358.05	9.23	-42.12
COC1=CC=CC=C1C1CSCCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003832651	0	55	0.0	-49.01	404.99	10.72	-38.29
COC1=CC=CC=C1C1CSCCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003832651	1	55	0.0	-48.27	411.20	10.74	-37.53
O=C([O-])C1CCN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC1	REAL300003833986	0	50	0.0	-76.96	373.79	10.85	-66.11
O=C([O-])C1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300003834760	0	47	0.0	-64.11	349.63	9.79	-54.32
O=C([O-])C1CCN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300003834760	1	47	0.0	-66.89	356.46	10.21	-56.68
O=C([O-])C1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300003835468	1	47	0.0	-68.44	371.76	10.74	-57.70
O=C([O-])C1CCN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC1	REAL300003835468	1	47	0.0	-65.75	373.14	10.74	-55.01
O=C([O-])C1CCN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC1	REAL300003835539	0	50	0.0	-66.76	372.02	10.67	-56.09
CC1=NC(C[NH+]2CCC(C(=O)N3CCC(C(=O)[O-])CC3)CC2)=CS1	REAL300003835600	1	49	0.0	-74.13	380.36	8.56	-65.57
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300003835657	0	53	0.0	-73.47	405.88	10.42	-63.05
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300003835670	0	53	0.0	-74.70	407.13	12.42	-62.28
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300003835670	1	53	0.0	-73.90	407.13	12.43	-61.47
CC1(C(=O)N2CCC(C(=O)[O-])CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003835671	0	53	0.0	-68.98	375.36	10.61	-58.37
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O=C([O-])C1CCN(C(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300003835709	1	50	0.0	-76.57	376.94	10.35	-66.22
O=C([O-])C1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300003835763	1	50	0.0	-70.98	368.90	10.55	-60.43
O=C([O-])C1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC1	REAL300003835763	1	50	0.0	-69.67	367.28	10.48	-59.19
O=C([O-])C1CCN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC1	REAL300003835764	1	47	0.0	-69.38	361.44	10.28	-59.10
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C[NH+](C)CCN1N=CC(C(=O)N2CCC(C(=O)[O-])CC2)=C1C1=CC=CC=C1	REAL300003835817	0	53	0.0	-76.80	410.35	10.12	-66.68
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CC[N@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)C(C)C	REAL300003835864	0	52	0.0	-75.34	376.54	10.35	-64.99
CC[N@@H+](CC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1)C(C)C	REAL300003835864	1	52	0.0	-77.73	370.03	10.15	-67.58
O=C([O-])C1CCN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300003835885	0	47	0.0	-70.84	354.59	10.03	-60.81
O=C([O-])C1CCN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300003835885	1	47	0.0	-70.29	356.00	10.09	-60.20
O=C([O-])C1CCN(C(=O)C2CC[NH+](C3CCSC3)CC2)CC1	REAL300003835886	0	48	0.0	-77.68	351.62	9.21	-68.47
C[NH+]1CCN(C(C(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300003835907	1	52	0.0	-66.45	375.88	7.86	-58.59
O=C([O-])C1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1	REAL300003835908	0	51	0.0	-70.29	350.12	7.63	-62.66
CC(C(=O)N1CCC(C(=O)[O-])CC1)[N@H+](C)CC1=CC=CC=C1	REAL300003835911	0	46	0.0	-68.77	345.44	9.61	-59.16
CC(C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300003835911	1	46	0.0	-66.65	346.21	9.65	-57.00
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CC[N@H+](C)C(C(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300003835956	0	46	0.0	-65.58	337.27	9.39	-56.19
CC[N@@H+](C)C(C(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300003835956	1	46	0.0	-59.30	341.38	9.61	-49.69
CC[NH+](CC)C(C(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300003835961	0	49	0.0	-58.31	350.12	9.84	-48.47
C[NH+](C)C(C(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300003835964	1	43	0.0	-62.90	336.70	9.36	-53.54
O=C([O-])C1CCN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC1	REAL300003835978	0	47	0.0	-78.01	356.19	10.04	-67.97
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CCC(C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCOC(CC)C1	REAL300003835987	1	50	0.0	-63.67	353.44	7.62	-56.05
CCC(C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCOC(CC)C1	REAL300003835987	1	50	0.0	-62.91	351.48	7.68	-55.23
CCN1CCC([NH+]2CCC(C(=O)N3CCC(C(=O)[O-])CC3)CC2)CC1	REAL300003835990	0	58	0.0	-74.56	407.50	8.56	-66.00
CC1C[NH+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CC(C)O1	REAL300003835996	1	54	0.0	-80.16	406.83	9.80	-70.36
O=C([O-])C1CCN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300003836007	1	51	0.0	-76.33	386.09	10.19	-66.14
O=C([O-])C1CCN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC1	REAL300003836007	1	51	0.0	-80.45	380.88	10.23	-70.22
O=C([O-])C1CCN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC1	REAL300003836022	0	50	0.0	-67.13	362.70	10.49	-56.64
O=C([O-])C1CCN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC1	REAL300003836022	1	50	0.0	-58.80	367.91	10.70	-48.10
CC1=C(C(=O)N2CCC(C(=O)[O-])CC2)C=NN1C1=CC=[NH+]C=C1	REAL300003836024	1	41	0.0	-78.58	325.36	7.24	-71.34
O=C([O-])C1CCN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC1	REAL300003836032	0	50	0.0	-78.42	372.93	10.75	-67.67
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C[NH+](C)CCC1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300003836044	0	46	0.0	-80.02	353.87	9.74	-70.28
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CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300003836055	0	57	0.0	-62.85	420.71	11.34	-51.51
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])CC1	REAL300003836055	1	57	0.0	-62.99	408.34	11.66	-51.33
CC(C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003836063	0	56	0.0	-65.48	399.82	11.76	-53.72
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])CC1	REAL300003836095	0	46	0.0	-71.35	352.49	10.15	-61.20
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])CC1	REAL300003836095	1	46	0.0	-71.24	352.49	10.14	-61.10
COCCOCC[N@H+](C)CCC(=O)N1CCC(C(=O)[O-])CC1	REAL300003836096	0	50	0.0	-69.58	379.95	6.29	-63.29
COCCOCC[N@@H+](C)CCC(=O)N1CCC(C(=O)[O-])CC1	REAL300003836096	1	50	0.0	-71.63	379.99	6.30	-65.33
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CC(C)[NH+]1CCN(CCC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300003836134	0	51	0.0	-69.37	364.75	6.69	-62.68
CC(C)N1CC[NH+](CCC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300003836134	1	51	0.0	-69.76	363.70	6.67	-63.09
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300003836135	0	54	0.0	-67.84	388.66	7.65	-60.19
CC(C)N1CC[NH+](CCCC(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300003836135	1	54	0.0	-70.78	388.05	7.63	-63.15
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCC(C(=O)[O-])CC3)CC2)=C1	REAL300003836140	0	55	0.0	-74.21	406.05	9.70	-64.51
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O=C([O-])C1CCN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC1	REAL300003836145	0	49	0.0	-76.07	359.48	9.13	-66.94
O=C([O-])C1CCN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC1	REAL300003836145	1	49	0.0	-72.50	368.67	8.95	-63.55
CC(C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003836149	0	47	0.0	-64.62	345.74	9.92	-54.70
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CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CCO1	REAL300003837309	1	51	0.0	-80.23	383.93	9.04	-71.19
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(C(=O)[O-])CC3)C=C2)CCO1	REAL300003837309	1	51	0.0	-81.57	384.68	9.08	-72.49
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003838451	0	55	0.0	-73.63	403.75	12.10	-61.53
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CC1=NC(C[NH+]2CCC(C(=O)N(C)C(CC(C)C)C(=O)[O-])CC2)=CS1	REAL300003839801	1	54	0.0	-69.35	410.25	9.75	-59.60
CC(C)CC(C(=O)[O-])N(C)C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003839866	0	58	0.0	-73.45	439.80	11.75	-61.70
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300003839872	0	58	0.0	-75.15	438.75	13.80	-61.35
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300003839872	1	58	0.0	-79.07	438.75	13.82	-65.25
CC(C)CC(C(=O)[O-])N(C)C(=O)C1(C[NH+](C)C)CCCCC1	REAL300003839941	0	54	0.0	-72.86	359.19	9.43	-63.43
CC(C)CC(C(=O)[O-])N(C)C(=O)CC[N@H+](C)C1CCCCC1	REAL300003839943	0	54	0.0	-64.32	384.13	10.60	-53.72
CC(C)CC(C(=O)[O-])N(C)C(=O)CC[N@@H+](C)C1CCCCC1	REAL300003839943	1	54	0.0	-65.62	384.49	10.79	-54.83
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003840001	0	48	0.0	-76.23	371.47	9.35	-66.88
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003840020	0	56	0.0	-55.29	387.62	9.00	-46.29
CC(C)CC(C(=O)[O-])N(C)C(=O)CCCC[NH+]1CCOCC1	REAL300003840044	1	52	0.0	-72.59	384.35	8.79	-63.80
CC[N@H+](CC1=CC=C(C(=O)N(C)C(CC(C)C)C(=O)[O-])C=C1)C(C)C	REAL300003840045	0	57	0.0	-72.56	408.26	11.70	-60.86
CC[N@@H+](CC1=CC=C(C(=O)N(C)C(CC(C)C)C(=O)[O-])C=C1)C(C)C	REAL300003840045	1	57	0.0	-74.48	401.68	11.43	-63.05
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003840062	0	52	0.0	-65.04	388.84	11.34	-53.70
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003840062	1	52	0.0	-67.55	390.84	11.45	-56.10
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003840063	0	53	0.0	-72.60	386.15	10.70	-61.90
CC(C)CC(C(=O)[O-])N(C)C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003840086	0	56	0.0	-64.92	382.77	9.12	-55.80
CC(C)CC(C(=O)[O-])N(C)C(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300003840089	0	51	0.0	-60.39	379.41	10.94	-49.45
CC(C)CC(C(=O)[O-])N(C)C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300003840089	1	51	0.0	-57.58	378.11	10.98	-46.60
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003840097	0	58	0.0	-64.38	421.15	12.67	-51.71
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003840097	1	58	0.0	-68.20	426.22	12.87	-55.33
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300003840114	0	47	0.0	-75.60	359.67	8.82	-66.78
CCC[NH+](CCC)CCCC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300003840121	0	56	0.0	-67.37	408.60	11.38	-55.99
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003840139	0	52	0.0	-76.04	383.89	11.30	-64.74
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003840144	0	55	0.0	-67.80	403.27	11.97	-55.83
CCN1CCC([NH+]2CCC(C(=O)N(C)C(CC(C)C)C(=O)[O-])CC2)CC1	REAL300003840150	0	63	0.0	-69.79	431.67	9.44	-60.35
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1	REAL300003840157	1	59	0.0	-81.18	434.97	10.95	-70.23
CC(C)CC(C(=O)[O-])N(C)C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003840166	1	56	0.0	-73.77	421.33	11.60	-62.17
CC(C)CC(C(=O)[O-])N(C)C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003840166	1	56	0.0	-73.67	421.28	11.49	-62.18
CC1=C(C(=O)N(C)C(CC(C)C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003840180	1	46	0.0	-78.03	361.27	8.50	-69.53
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003840183	0	55	0.0	-77.55	401.60	11.86	-65.69
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003840194	1	48	0.0	-75.22	367.64	9.40	-65.82
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300003840195	0	51	0.0	-81.31	382.84	11.05	-70.26
CC(C)CC(C(=O)[O-])N(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003840199	1	53	0.0	-53.62	388.44	10.63	-42.99
CC(C)CC(C(=O)[O-])N(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003840199	1	53	0.0	-62.52	397.82	11.03	-51.49
CC(C)CC(C(=O)[O-])N(C)C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003840208	0	61	0.0	-60.07	441.82	13.38	-46.69
CC(C)CC(C(=O)[O-])N(C)C(=O)C(C)[NH+]1CCSCC1	REAL300003840231	1	46	0.0	-57.38	337.61	8.73	-48.65
CC(C)CC(C(=O)[O-])N(C)C(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300003840238	0	51	0.0	-60.99	384.89	11.40	-49.59
CC(C)CC(C(=O)[O-])N(C)C(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300003840238	1	51	0.0	-62.02	385.21	11.58	-50.44
COCCOCC[N@H+](C)CCC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300003840239	0	55	0.0	-63.70	414.36	7.73	-55.97
COCCOCC[N@@H+](C)CCC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300003840239	1	55	0.0	-66.34	413.91	7.63	-58.71
CC(C)CC(C(=O)[O-])N(C)C(=O)CC1(O)CCC[N@H+](C)C1	REAL300003840242	0	49	0.0	-57.04	355.78	7.32	-49.72
CC(C)CC(C(=O)[O-])N(C)C(=O)CC1(O)CCC[N@@H+](C)C1	REAL300003840242	1	49	0.0	-57.77	346.05	7.11	-50.66
CC(C)CC(C(=O)[O-])N(C)C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003840247	0	60	0.0	-72.04	439.48	11.10	-60.94
CCCCCC[N@H+](C)CC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300003840248	0	53	0.0	-59.06	389.98	10.81	-48.25
CCCCCC[N@@H+](C)CC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300003840248	1	53	0.0	-59.69	388.87	10.81	-48.88
CC(C)CC(C(=O)[O-])N(C)C(=O)C[N@H+](C)C1CCSC1	REAL300003840270	0	46	0.0	-60.29	346.98	9.28	-51.01
CC(C)CC(C(=O)[O-])N(C)C(=O)C[N@@H+](C)C1CCSC1	REAL300003840270	1	46	0.0	-60.50	345.23	9.19	-51.31
CC(C)CC(C(=O)[O-])N(C)C(=O)CCN1CC[NH+](C(C)C)CC1	REAL300003840280	0	56	0.0	-67.66	401.58	8.26	-59.40
CC(C)CC(C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C(C)C)CC1	REAL300003840280	1	56	0.0	-64.95	397.75	8.15	-56.80
CC(C)CC(C(=O)[O-])N(C)C(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300003840281	0	59	0.0	-65.93	423.08	9.08	-56.85
CC(C)CC(C(=O)[O-])N(C)C(=O)CCC[NH+]1CCN(C(C)C)CC1	REAL300003840281	1	59	0.0	-68.48	419.29	8.81	-59.67
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300003840283	0	48	0.0	-76.32	366.48	8.24	-68.08
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)C(CC(C)C)C(=O)[O-])CC2)=C1	REAL300003840286	0	60	0.0	-68.82	439.38	10.96	-57.86
CC(C)CC(C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003840288	0	57	0.0	-68.76	417.99	10.30	-58.46
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003840291	0	54	0.0	-67.81	396.23	10.23	-57.58
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003840291	1	54	0.0	-63.77	397.03	10.26	-53.51
CC(C)CC(C(=O)[O-])N(C)C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003840296	1	52	0.0	-55.24	381.46	11.29	-43.95
CC(C)CC(C(=O)[O-])N(C)C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1	REAL300003840296	1	52	0.0	-60.19	382.88	11.39	-48.80
CC(C)CC(C(=O)[O-])N(C)C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003840315	0	55	0.0	-70.52	409.40	12.22	-58.30
CC(C)CC(C(=O)[O-])N(C)C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003840315	1	55	0.0	-70.68	411.19	12.24	-58.44
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300003840326	0	48	0.0	-80.16	367.81	8.92	-71.24
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300003840327	0	48	0.0	-59.50	361.91	8.26	-51.24
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)C(CC(C)C)C(=O)[O-]	REAL300003840328	1	49	0.0	-58.57	372.19	10.31	-48.26
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=NNC(C2CCC[N@@H+]2C)=C1	REAL300003840331	1	49	0.0	-75.40	369.73	8.46	-66.94
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=NNC(C2CCC[N@H+]2C)=C1	REAL300003840331	1	49	0.0	-76.55	368.90	8.47	-68.08
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003840339	0	55	0.0	-68.70	408.70	12.00	-56.70
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003840339	1	55	0.0	-63.47	408.27	12.00	-51.47
CC(C)CC(C(=O)[O-])N(C)C(=O)C(C)C[NH+]1CCOCC1	REAL300003840343	0	49	0.0	-58.07	352.30	7.41	-50.66
CC(C)CC(C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003840344	0	56	0.0	-67.95	416.60	9.94	-58.01
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003840381	0	55	0.0	-63.60	388.28	10.85	-52.75
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003840381	1	55	0.0	-52.12	383.93	10.61	-41.51
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300003840406	0	57	0.0	-75.68	421.65	9.74	-65.94
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300003840407	0	57	0.0	-73.10	417.69	9.45	-63.65
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1	REAL300003840407	1	57	0.0	-77.67	418.43	9.52	-68.15
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)C(CC(C)C)C(=O)[O-])C=C1	REAL300003840408	0	58	0.0	-75.46	421.24	11.07	-64.39
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003840486	0	59	0.0	-81.29	433.61	9.21	-72.08
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300003840490	0	48	0.0	-74.26	361.81	10.24	-64.02
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003840491	0	55	0.0	-60.22	395.60	11.74	-48.48
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003840491	1	55	0.0	-60.69	392.62	12.05	-48.64
CC[NH+]1CCN(CCC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300003840532	0	53	0.0	-67.71	383.69	7.62	-60.09
CCN1CC[NH+](CCC(=O)N(C)C(CC(C)C)C(=O)[O-])CC1	REAL300003840532	1	53	0.0	-64.00	383.74	7.77	-56.23
CC(C)CC(C(=O)[O-])N(C)C(=O)CCN1C=C[NH+]=C1C(C)C	REAL300003840538	1	49	0.0	-59.51	371.52	10.35	-49.16
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300003840584	1	53	0.0	-77.65	397.99	10.75	-66.90
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300003840584	1	53	0.0	-77.84	396.80	10.53	-67.31
CC[NH+](CC)CC1=CC=C(C(=O)N(C)C(CC(C)C)C(=O)[O-])O1	REAL300003840624	0	51	0.0	-68.23	382.20	10.20	-58.03
CC1=CC=C(N2CCC(C(=O)N(C)C(CC(C)C)C(=O)[O-])CC2)[NH+]=C1	REAL300003840625	1	54	0.0	-66.27	394.79	9.79	-56.48
CC(C)CC(C(=O)[O-])N(C)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300003840626	1	48	0.0	-61.99	363.72	10.61	-51.38
CC(C)CC(C(=O)[O-])N(C)C(=O)C[N@@H+](C)CC1=CC=CC=C1	REAL300003840626	1	48	0.0	-62.71	362.78	10.59	-52.12
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1	REAL300003840629	0	60	0.0	-76.35	428.20	10.46	-65.89
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003840638	1	43	0.0	-76.08	340.62	8.06	-68.02
CC(C)CC(C(=O)[O-])N(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300003840665	0	55	0.0	-62.94	397.21	11.88	-51.06
CC(C)CC(C(=O)[O-])N(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300003840665	1	55	0.0	-65.26	400.18	11.79	-53.47
CC(C)CC(C(=O)[O-])N(C)C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300003840682	0	56	0.0	-77.52	427.37	11.46	-66.06
CC(C)CC(C(=O)[O-])N(C)C(=O)COC1CC[NH+](C)CC1	REAL300003840693	0	49	0.0	-75.30	367.02	9.17	-66.13
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003840697	0	52	0.0	-72.15	389.27	10.74	-61.41
CC(C)CC(C(=O)[O-])N(C)C(=O)C[NH+]1CCC(CO)CC1	REAL300003840843	0	49	0.0	-58.78	359.62	6.13	-52.65
CC(C)CC(C(=O)[O-])N(C)C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300003840998	0	45	0.0	-74.15	330.55	8.31	-65.84
CC(C)CC(C(=O)[O-])N(C)C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300003840998	1	45	0.0	-72.64	331.11	7.98	-64.66
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300003841339	0	51	0.0	-76.08	384.54	11.06	-65.02
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300003841344	0	52	0.0	-77.93	390.00	9.85	-68.08
CC(C)CC(C(=O)[O-])N(C)C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003841416	0	58	0.0	-66.35	425.84	12.99	-53.36
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1	REAL300003841418	1	56	0.0	-82.45	410.44	10.29	-72.16
CC(C)CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1	REAL300003841418	1	56	0.0	-81.05	409.27	10.31	-70.74
CC1=[NH+]C=C2C=CC(C(=O)N(C)C(CC(C)C)C(=O)[O-])=CN21	REAL300003841441	0	43	0.0	-62.76	343.05	10.17	-52.59
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CCC[N@H+](CC(C)C)C1	REAL300003841478	0	54	0.0	-58.13	375.89	10.20	-47.93
CC(C)CC(C(=O)[O-])N(C)C(=O)C1CCC[N@@H+](CC(C)C)C1	REAL300003841478	1	54	0.0	-61.93	381.93	10.41	-51.52
COC1CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C12CCC2	REAL300003841533	0	48	0.0	-48.92	363.38	6.84	-42.08
COC1CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C12CCC2	REAL300003841533	1	48	0.0	-45.46	362.92	7.11	-38.35
CCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C(C)=C1	REAL300003841663	0	46	0.0	-49.48	359.07	10.51	-38.97
CCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C(C)=C1	REAL300003841663	1	46	0.0	-46.04	351.56	10.06	-35.98
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)CC2	REAL300003843019	0	54	0.0	-86.17	393.96	11.50	-74.67
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CC2	REAL300003843789	0	51	0.0	-66.28	379.64	11.14	-55.14
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CC2	REAL300003843789	1	51	0.0	-68.65	376.16	11.07	-57.58
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1)CC2	REAL300003844638	1	51	0.0	-74.04	395.31	11.66	-62.38
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1)CC2	REAL300003844638	1	51	0.0	-67.29	390.75	11.22	-56.07
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CC[NH+](C3CC3)CC1)CC2	REAL300003844713	0	48	0.0	-80.65	344.94	9.42	-71.23
CC1=[NH+]C=C2CCC(C(=O)N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)CN12	REAL300003844741	1	46	0.0	-70.58	338.91	9.02	-61.56
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)CC2	REAL300003844742	0	54	0.0	-75.14	394.50	11.53	-63.61
CC1=NC(C[NH+]2CCC(C(=O)N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)CC2)=CS1	REAL300003844818	1	53	0.0	-79.73	404.94	9.42	-70.31
CC(C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)N1CC[NH+](C)CC1	REAL300003844819	1	49	0.0	-77.62	345.09	6.23	-71.39
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C=C1	REAL300003844903	0	57	0.0	-83.98	431.31	11.39	-72.59
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)=C1	REAL300003844915	0	57	0.0	-80.60	428.50	13.34	-67.26
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)=C1	REAL300003844915	1	57	0.0	-80.97	428.51	13.34	-67.63
CC1(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003844917	0	57	0.0	-76.33	401.92	11.63	-64.70
C[NH+](C)CC1(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CCCCC1	REAL300003845002	0	53	0.0	-88.33	341.79	9.66	-78.67
C[N@H+](CCC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)C1CCCCC1	REAL300003845006	0	53	0.0	-73.61	374.93	10.25	-63.36
C[N@@H+](CCC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)C1CCCCC1	REAL300003845006	1	53	0.0	-70.87	376.13	10.29	-60.58
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)CC2	REAL300003845029	1	54	0.0	-68.76	401.28	11.84	-56.92
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)CC2	REAL300003845029	1	54	0.0	-64.68	400.84	11.78	-52.90
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)CC2	REAL300003845030	1	51	0.0	-75.15	384.99	11.21	-63.94
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)CC2	REAL300003845030	1	51	0.0	-68.11	380.42	10.76	-57.35
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)CC2	REAL300003845087	0	47	0.0	-77.60	362.59	8.85	-68.75
C[NH+](C)CCN1N=CC(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)=C1C1=CC=CC=C1	REAL300003845092	0	57	0.0	-86.00	430.70	10.97	-75.03
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CCCC[N@@H+]1C1CCCC1)CC2	REAL300003845117	0	54	0.0	-61.22	373.70	10.39	-50.83
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CCCC[N@H+]1C1CCCC1)CC2	REAL300003845117	1	54	0.0	-70.79	367.49	10.38	-60.41
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CCC([NH+]3CCOCC3)CC1)CC2	REAL300003845118	0	55	0.0	-77.89	376.32	8.45	-69.44
CC1=[NH+]C=CN1CCCC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	REAL300003845149	1	45	0.0	-69.55	348.56	9.59	-59.96
O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCCC[NH+]1CCOCC1)CC2	REAL300003845150	1	51	0.0	-81.91	373.35	8.23	-73.68
CC[N@H+](CC1=CC=C(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C=C1)C(C)C	REAL300003845152	0	56	0.0	-75.91	399.94	11.34	-64.57
CC[N@@H+](CC1=CC=C(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C=C1)C(C)C	REAL300003845152	1	56	0.0	-70.17	384.80	10.68	-59.49
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)CC2	REAL300003845177	0	51	0.0	-76.27	375.32	10.94	-65.33
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)CC2	REAL300003845177	1	51	0.0	-73.00	378.27	10.97	-62.03
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CC[NH+](C3CCSC3)CC1)CC2	REAL300003845178	0	52	0.0	-88.19	374.85	10.26	-77.93
C[NH+]1CCN(C(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C2=CC=CC=C2)CC1	REAL300003845207	1	56	0.0	-66.98	409.65	9.64	-57.34
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CC(C)C[N@@H+]1CCCC(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1	REAL300003847282	0	53	0.0	-78.03	368.17	10.05	-67.98
CC(C)C[N@H+]1CCCC(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1	REAL300003847282	1	53	0.0	-78.03	368.17	10.05	-67.98
CN(C)CC1=CC=C(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)O1	REAL300003847287	0	44	0.0	-78.81	338.87	8.42	-70.39
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)O1	REAL300003847287	1	44	0.0	-78.81	338.87	8.42	-70.39
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1	REAL300003847292	0	53	0.0	-79.36	353.08	8.66	-70.70
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1	REAL300003847292	1	53	0.0	-79.36	353.08	8.66	-70.70
O=C([O-])[C@]12CCC[C@H]1N(C(=O)C13CC(C1)C[N@@H+]3C1CC1)CC2	REAL300003847295	0	46	0.0	-51.21	312.62	9.58	-41.63
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CC(C)(C)C1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)S1	REAL300003847719	0	49	0.0	-47.42	387.99	9.17	-38.25
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O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C=C1	REAL300003853013	1	47	0.0	-82.57	373.80	10.71	-71.86
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C[N@H+]1CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C(C(F)(F)F)C1	REAL300003853087	1	37	0.0	-87.58	301.09	7.24	-80.34
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300003853472	0	43	0.0	-81.34	349.83	9.78	-71.56
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300003853476	0	44	0.0	-85.62	356.83	8.76	-76.86
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CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)C=C2)CCO1	REAL300003853547	1	48	0.0	-88.52	374.71	9.12	-79.40
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=C(C(=O)[O-])C=C3)C=C2)CCO1	REAL300003853547	1	48	0.0	-88.60	374.75	9.12	-79.48
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003853612	0	46	0.0	-77.54	349.91	9.19	-68.35
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003853612	1	46	0.0	-77.54	349.91	9.19	-68.35
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C[N@@H+]1CCCN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC1	REAL300003861025	1	40	0.0	-93.83	312.99	9.09	-84.74
C[N@H+]1CCCN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC1	REAL300003861025	1	40	0.0	-95.53	311.67	9.00	-86.53
C[N@@H+]1CCCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300003861026	0	38	0.0	-66.98	307.35	7.68	-59.30
C[N@H+]1CCCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300003861026	1	38	0.0	-67.04	307.43	7.64	-59.40
C[N@@H+]1CCCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300003861027	0	38	0.0	-76.81	307.68	7.80	-69.01
C[N@H+]1CCCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300003861027	1	38	0.0	-78.06	304.00	7.89	-70.17
C[N@@H+]1CCCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300003861028	0	43	0.0	-78.07	324.24	10.15	-67.92
C[N@H+]1CCCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300003861028	1	43	0.0	-78.28	325.81	10.19	-68.09
C[N@@H+]1CCCN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC1	REAL300003861029	0	44	0.0	-67.76	330.29	9.46	-58.30
C[N@H+]1CCCN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC1	REAL300003861029	1	44	0.0	-68.07	325.36	9.24	-58.83
CC(C)[NH+]1CCC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300003861030	0	47	0.0	-78.88	361.54	8.18	-70.70
CC(C)[NH+]1CCC(NC(=O)C2=CC=CC=C2SC(C)C(=O)[O-])CC1	REAL300003861031	0	50	0.0	-76.84	385.28	9.76	-67.08
CCOC1=CC(C(=O)NC2CC[NH+](C(C)C)CC2)=CC=C1OCC(=O)[O-]	REAL300003861032	0	54	0.0	-79.24	408.87	8.64	-70.60
CC(C)[NH+]1CCC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300003861033	0	49	0.0	-77.72	372.87	9.15	-68.57
CC(C)[NH+]1CCC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300003861034	0	47	0.0	-77.57	361.31	8.85	-68.72
CC(C)[NH+]1CCC(NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300003861035	0	51	0.0	-76.38	405.53	4.05	-72.33
CC(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300003861036	0	45	0.0	-73.39	358.62	8.57	-64.82
CC(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300003861037	0	45	0.0	-73.39	358.62	8.57	-64.82
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2CC[NH+](C(C)C)CC2)C=C1	REAL300003861038	0	53	0.0	-79.47	401.80	9.24	-70.23
CC(C)[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300003861039	0	50	0.0	-75.96	388.52	8.93	-67.03
CC(C)[NH+]1CCC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])CC1	REAL300003861040	0	49	0.0	-67.83	367.86	9.12	-58.71
CC1=CC(C(=O)NC2CC[NH+](C(C)C)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300003861041	0	53	0.0	-75.28	405.54	9.75	-65.53
CC(C)[NH+]1CCC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300003861042	0	46	0.0	-81.96	351.46	8.33	-73.63
CC(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)CC1	REAL300003861043	0	43	0.0	-73.57	334.96	7.98	-65.59
CC(C)[NH+]1CCC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300003861044	0	46	0.0	-83.49	351.46	8.34	-75.15
CC1=NC(C(=O)NC2CC[NH+](C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300003861045	0	45	0.0	-64.21	344.12	6.69	-57.52
CC(C)[NH+]1CCC(NC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300003861046	0	43	0.0	-75.01	351.74	8.51	-66.50
CC(C)[NH+]1CCC(NC(=O)C2=CC=CC(CC(=O)[O-])=C2)CC1	REAL300003861047	0	46	0.0	-75.32	352.65	8.67	-66.65
CC(C)[NH+]1CCC(NC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC1	REAL300003861048	0	53	0.0	-68.21	396.52	11.27	-56.94
CC1=COC(CC(=O)[O-])=C1C(=O)NC1CC[NH+](C(C)C)CC1	REAL300003861049	0	46	0.0	-73.39	359.74	7.44	-65.95
CC(C)[NH+]1CCC(NC(=O)CC2CCC(C(=O)[O-])CC2)CC1	REAL300003861050	0	52	0.0	-78.00	371.59	8.60	-69.40
CC(C)[NH+]1CCC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1	REAL300003861051	0	50	0.0	-80.15	364.42	8.29	-71.86
CC(C)[NH+]1CCC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300003861052	0	53	0.0	-75.03	374.01	8.81	-66.22
CC(C)[NH+]1CCC(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC1	REAL300003861053	0	45	0.0	-75.62	352.31	7.21	-68.41
CC(C)[NH+]1CCC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300003861054	0	50	0.0	-78.76	382.60	8.61	-70.15
CC(C)[NH+]1CCC(NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300003861055	0	56	0.0	-73.10	405.71	10.56	-62.54
CC(C)[NH+]1CCC(NC(=O)C2=CC=C(C=CC(=O)[O-])O2)CC1	REAL300003861056	0	44	0.0	-66.19	350.00	7.49	-58.70
CC(C)[NH+]1CCC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300003861057	0	50	0.0	-58.84	362.43	8.39	-50.45
CC(C)[NH+]1CCC(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300003861058	0	47	0.0	-73.71	357.79	7.97	-65.74
CC(C)[NH+]1CCC(NC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300003861059	0	52	0.0	-82.53	394.91	8.22	-74.31
CC(C)[NH+]1CCC(NC(=O)C2=CC=C(CC(=O)[O-])C=C2)CC1	REAL300003861060	0	46	0.0	-71.34	348.97	8.44	-62.90
CC(C)[NH+]1CCC(NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CC1	REAL300003861061	0	47	0.0	-75.53	358.87	8.97	-66.56
CC(C)[NH+]1CCC(NC(=O)C=CC2=CC(C(=O)[O-])=CO2)CC1	REAL300003861062	0	44	0.0	-73.13	349.52	7.35	-65.78
CC(C)[NH+]1CCC(NC(=O)C2=CC=CC=C2CCC(=O)[O-])CC1	REAL300003861063	0	49	0.0	-75.88	365.47	9.45	-66.43
CC(C)[NH+]1CCC(NC(=O)COCC2=C(C(=O)[O-])N=CO2)CC1	REAL300003861064	0	46	0.0	-81.66	359.56	3.41	-78.25
CC(C)[NH+]1CCC(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)CC1	REAL300003861065	0	44	0.0	-69.84	351.05	7.71	-62.13
CC1=CC=C(C(=O)NC2CC[NH+](C(C)C)CC2)C=C1C(=O)[O-]	REAL300003861066	0	46	0.0	-81.37	346.44	8.45	-72.92
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1CC[NH+](C(C)C)CC1	REAL300003861067	0	45	0.0	-61.74	338.24	6.52	-55.22
CC(C)[NH+]1CCC(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)CC1	REAL300003861068	0	49	0.0	-91.42	376.48	7.19	-84.23
CC(C)[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1	REAL300003861069	0	50	0.0	-80.32	370.62	7.60	-72.72
CC(C)[NH+]1CCC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1	REAL300003861070	0	50	0.0	-72.78	369.60	6.46	-66.32
CC(C)[NH+]1CCC(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CC1	REAL300003861071	0	51	0.0	-60.90	358.41	8.80	-52.10
CC(C)[NH+]1CCC(NC(=O)CN2CCCC(C(=O)[O-])C2)CC1	REAL300003861072	1	51	0.0	-70.99	365.98	5.71	-65.28
CC(C)[NH+]1CCC(NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC1	REAL300003861073	0	50	0.0	-56.41	366.75	9.71	-46.70
CC(C)[NH+]1CCC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300003861074	0	50	0.0	-78.76	382.60	8.61	-70.15
CC(C)[NH+]1CCC(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300003861075	0	50	0.0	-92.61	384.82	9.78	-82.83
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1CC[NH+](C(C)C)CC1	REAL300003861076	0	46	0.0	-63.65	342.83	8.35	-55.30
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1CC[NH+](C(C)C)CC1	REAL300003861077	0	45	0.0	-72.64	336.12	6.68	-65.96
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1CC[NH+](C(C)C)CC1	REAL300003861078	0	46	0.0	-73.76	346.47	8.58	-65.18
CC(C)[NH+]1CCC(NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CC1	REAL300003861079	0	43	0.0	-72.10	342.92	8.41	-63.69
CC(C)[NH+]1CCC(NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003861080	0	50	0.0	-75.34	367.74	8.52	-66.82
COC1=CC(C(=O)[O-])=NC(C(=O)NC2CC[NH+](C(C)C)CC2)=C1	REAL300003861081	0	46	0.0	-60.35	354.65	5.27	-55.08
CC(C)[NH+]1CCC(NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)CC1	REAL300003861082	0	49	0.0	-73.02	370.37	9.25	-63.77
CC(C)[NH+]1CCC(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CC1	REAL300003861083	0	47	0.0	-72.70	360.87	8.17	-64.53
CC1=C(C(=O)NC2CC[NH+](C(C)C)CC2)C=C(C(=O)[O-])S1	REAL300003861084	0	43	0.0	-63.87	340.88	7.76	-56.11
CC(C)[NH+]1CCC(NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC1	REAL300003861085	0	43	0.0	-74.07	360.26	8.48	-65.59
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2CC[NH+](C(C)C)CC2)=C1	REAL300003861086	0	47	0.0	-76.40	364.51	7.36	-69.04
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1CC[NH+](C(C)C)CC1	REAL300003861087	0	46	0.0	-65.79	358.24	8.30	-57.49
CC(C)[NH+]1CCC(NC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CC1	REAL300003861088	0	46	0.0	-80.48	365.62	9.18	-71.30
CC(C)[NH+]1CCC(NC(=O)CCC2=CC=CN=C2C(=O)[O-])CC1	REAL300003861089	0	48	0.0	-72.64	364.09	7.35	-65.29
CC(C)[NH+]1CCC(NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300003861090	0	47	0.0	-76.76	364.98	9.09	-67.67
CC(C)[NH+]1CCC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300003861091	0	50	0.0	-58.84	362.43	8.39	-50.45
CC(C)[NH+]1CCC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CC1	REAL300003861092	0	44	0.0	-65.09	355.61	6.92	-58.17
CC(C)[NH+]1CCC(NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CC1	REAL300003861093	0	44	0.0	-74.97	355.80	7.06	-67.91
CC(C)[NH+]1CCC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CC1	REAL300003861094	0	44	0.0	-66.59	346.97	6.06	-60.53
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1CC[NH+](C(C)C)CC1	REAL300003861095	0	46	0.0	-79.28	340.60	8.47	-70.81
CC(C)[NH+]1CCC(NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300003861096	0	46	0.0	-78.26	360.74	7.31	-70.95
CC(C)[NH+]1CCC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CC1	REAL300003861097	0	48	0.0	-67.06	350.55	6.27	-60.79
CC(C)[NH+]1CCC(NC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1	REAL300003861098	0	49	0.0	-80.79	362.81	9.73	-71.06
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1CC[NH+](C(C)C)CC1	REAL300003861099	0	49	0.0	-85.02	368.17	8.81	-76.21
CC(C)[NH+]1CCC(NC(=O)CC2=CC(C(=O)[O-])=CS2)CC1	REAL300003861100	0	43	0.0	-80.08	343.01	7.48	-72.60
CC(C)[NH+]1CCC(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC1	REAL300003861101	0	46	0.0	-86.39	356.02	8.36	-78.03
CC(C)[NH+]1CCC(NC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CC1	REAL300003861102	0	50	0.0	-67.86	379.45	9.44	-58.42
CC(C)[NH+]1CCC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	REAL300003861103	0	53	0.0	-75.03	374.01	8.81	-66.22
C[NH+]1CCC(NC(=O)C2CCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])O2)CC1	REAL300003861104	0	49	0.0	-79.91	400.59	5.39	-74.52
C[NH+]1CCC(NC(=O)C2=CC=CC=C2SCC2=C(C(=O)[O-])C=CO2)CC1	REAL300003861105	0	48	0.0	-84.51	392.42	9.76	-74.75
CC(SC1=CC=CC=C1C(=O)NC1CC[NH+](C)CC1)C(=O)[O-]	REAL300003861106	0	44	0.0	-81.94	348.70	8.49	-73.45
CCOC1=CC(C(=O)NC2CC[NH+](C)CC2)=CC=C1OCC(=O)[O-]	REAL300003861107	0	48	0.0	-81.59	378.20	7.68	-73.91
C[NH+]1CCC(NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300003861108	0	45	0.0	-78.62	374.86	3.10	-75.52
C[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300003861109	0	39	0.0	-76.52	324.29	7.38	-69.14
CC1=NN(C2=CC=C(C(=O)NC3CC[NH+](C)CC3)C=C2)C(C)=C1CCC(=O)[O-]	REAL300003861110	0	56	0.0	-80.32	435.02	10.36	-69.96
C[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CC1	REAL300003861111	0	39	0.0	-76.52	324.29	7.38	-69.14
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2CC[NH+](C)CC2)C=C1	REAL300003861112	0	47	0.0	-81.69	371.13	8.29	-73.40
C[NH+]1CCC(NC(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C(F)(F)F)C=C2)CC1	REAL300003861113	0	47	0.0	-75.17	382.77	8.43	-66.74
C[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CC2)CC1	REAL300003861114	0	52	0.0	-86.99	419.12	4.92	-82.07
C[NH+]1CCC(NC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300003861115	0	44	0.0	-79.18	354.20	7.75	-71.43
CC1=CC(C(=O)NC2CC[NH+](C)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300003861116	0	47	0.0	-78.46	368.91	8.46	-70.00
C[NH+]1CCC(NC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300003861117	0	37	0.0	-78.35	317.42	7.33	-71.02
C[NH+]1CCC(NC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC1	REAL300003861118	0	47	0.0	-71.98	362.19	10.08	-61.90
C[NH+]1CCC(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CC1	REAL300003861119	0	39	0.0	-78.79	318.00	6.02	-72.77
C[NH+]1CCC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CC1	REAL300003861120	0	44	0.0	-83.27	348.28	7.42	-75.85
C[NH+]1CCC(NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC1	REAL300003861121	0	50	0.0	-75.59	375.04	9.60	-65.99
C[NH+]1CCC(NC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)CC1	REAL300003861122	0	46	0.0	-85.16	364.31	7.28	-77.88
C[NH+]1CCC(NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)CC1	REAL300003861123	0	44	0.0	-59.87	336.08	8.76	-51.11
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C[NH+]1CCC(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC1	REAL300003861125	0	44	0.0	-94.50	354.15	8.84	-85.66
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CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC[N@H+]2CCCCC2C1	REAL300003861299	1	44	0.0	-61.90	331.65	9.12	-52.78
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CC[N@@H+]2CCCCC2C1	REAL300003861300	1	43	0.0	-69.49	322.29	7.16	-62.33
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CC[N@H+]2CCCCC2C1	REAL300003861300	1	43	0.0	-69.52	321.13	7.18	-62.34
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CC[N@@H+]2CCCCC2C1	REAL300003861301	0	44	0.0	-71.69	332.73	9.13	-62.56
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CC[N@H+]2CCCCC2C1	REAL300003861301	1	44	0.0	-71.99	331.68	9.12	-62.87
O=C([O-])C1=CC=C(C(=O)N2CC[N@@H+]3CCCCC3C2)C(Cl)=C1	REAL300003861302	1	41	0.0	-70.42	327.75	8.98	-61.44
O=C([O-])C1=CC=C(C(=O)N2CC[N@H+]3CCCCC3C2)C(Cl)=C1	REAL300003861302	1	41	0.0	-69.87	329.25	9.04	-60.83
O=C([O-])C1CC2(C1)CC(C(=O)N1CC[N@@H+]3CCCCC3C1)C2	REAL300003861303	0	48	0.0	-75.64	353.26	9.67	-65.97
O=C([O-])C1CC2(C1)CC(C(=O)N1CC[N@H+]3CCCCC3C1)C2	REAL300003861303	1	48	0.0	-77.70	352.89	9.61	-68.09
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC[N@@H+]3CCCCC3C2)=C1	REAL300003861304	1	44	0.0	-49.20	337.76	6.83	-42.37
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC[N@H+]3CCCCC3C2)=C1	REAL300003861304	1	44	0.0	-49.45	337.90	6.91	-42.54
O=C([O-])CCC1=CC=C(C(=O)N2CC[N@@H+]3CCCCC3C2)C=C1	REAL300003861305	1	47	0.0	-73.44	354.91	10.04	-63.40
O=C([O-])CCC1=CC=C(C(=O)N2CC[N@H+]3CCCCC3C2)C=C1	REAL300003861305	1	47	0.0	-72.52	356.69	10.06	-62.46
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CC[N@@H+]3CCCCC3C1)C2	REAL300003861306	0	45	0.0	-75.25	346.23	9.30	-65.95
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CC[N@H+]3CCCCC3C1)C2	REAL300003861306	1	45	0.0	-86.04	346.06	9.28	-76.76
CC1=C(C(=O)N2CC[N@@H+]3CCCCC3C2)C=C(C(=O)[O-])S1	REAL300003861307	1	41	0.0	-62.44	324.90	8.34	-54.10
CC1=C(C(=O)N2CC[N@H+]3CCCCC3C2)C=C(C(=O)[O-])S1	REAL300003861307	1	41	0.0	-61.81	324.18	8.36	-53.45
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC[N@@H+]3CCCCC3C2)=C1	REAL300003861309	1	45	0.0	-76.17	349.02	8.07	-68.10
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC[N@H+]3CCCCC3C2)=C1	REAL300003861309	1	45	0.0	-72.07	354.50	8.21	-63.86
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CC[N@@H+]2CCCCC2C1	REAL300003861310	1	44	0.0	-64.34	337.33	9.09	-55.25
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CC[N@H+]2CCCCC2C1	REAL300003861310	1	44	0.0	-64.30	337.41	9.11	-55.19
O=C([O-])C1=C2C=C(C(=O)N3CC[N@@H+]4CCCCC4C3)SC2=CC=C1	REAL300003861311	1	44	0.0	-80.86	346.08	9.75	-71.11
O=C([O-])C1=C2C=C(C(=O)N3CC[N@H+]4CCCCC4C3)SC2=CC=C1	REAL300003861311	1	44	0.0	-84.13	345.17	9.73	-74.40
O=C([O-])C1=NC=CC=C1CCC(=O)N1CC[N@@H+]2CCCCC2C1	REAL300003861312	0	46	0.0	-73.51	345.95	8.31	-65.20
O=C([O-])C1=NC=CC=C1CCC(=O)N1CC[N@H+]2CCCCC2C1	REAL300003861312	1	46	0.0	-75.27	346.59	8.29	-66.98
O=C([O-])C1=CC=C(/C=C/C(=O)N2CC[N@@H+]3CCCCC3C2)C=C1	REAL300003861313	0	45	0.0	-79.02	346.43	10.02	-69.00
O=C([O-])C1=CC=C(/C=C/C(=O)N2CC[N@H+]3CCCCC3C2)C=C1	REAL300003861313	1	45	0.0	-79.07	346.46	10.04	-69.03
O=C([O-])C1(C(=O)N2CC[N@@H+]3CCCCC3C2)CC2(CCC2)C1	REAL300003861314	1	48	0.0	-58.25	340.60	9.06	-49.19
O=C([O-])C1(C(=O)N2CC[N@H+]3CCCCC3C2)CC2(CCC2)C1	REAL300003861314	1	48	0.0	-49.82	338.38	9.10	-40.72
O=C([O-])C1=CSC2=C1NC(C(=O)N1CC[N@@H+]3CCCCC3C1)=C2	REAL300003861315	1	42	0.0	-64.09	335.01	8.05	-56.04
O=C([O-])C1=CSC2=C1NC(C(=O)N1CC[N@H+]3CCCCC3C1)=C2	REAL300003861315	1	42	0.0	-60.72	334.87	8.02	-52.70
O=C([O-])C1=CC2=C(C=C(C(=O)N3CC[N@@H+]4CCCCC4C3)N2)S1	REAL300003861316	1	42	0.0	-75.47	335.12	8.15	-67.32
O=C([O-])C1=CC2=C(C=C(C(=O)N3CC[N@H+]4CCCCC4C3)N2)S1	REAL300003861316	1	42	0.0	-75.46	335.16	8.18	-67.28
O=C([O-])C1=COC2=C1NC(C(=O)N1CC[N@@H+]3CCCCC3C1)=C2	REAL300003861317	1	42	0.0	-63.01	326.26	7.18	-55.83
O=C([O-])C1=COC2=C1NC(C(=O)N1CC[N@H+]3CCCCC3C1)=C2	REAL300003861317	1	42	0.0	-62.99	326.28	7.20	-55.79
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CC[N@@H+]2CCCCC2C1	REAL300003861318	0	44	0.0	-75.66	326.80	9.01	-66.65
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CC[N@H+]2CCCCC2C1	REAL300003861318	1	44	0.0	-75.82	326.73	9.01	-66.81
O=C([O-])C1=CC=C(C=CC(=O)N2CC[N@@H+]3CCCCC3C2)C=N1	REAL300003861319	0	44	0.0	-79.50	342.24	8.24	-71.26
O=C([O-])C1=CC=C(C=CC(=O)N2CC[N@H+]3CCCCC3C2)C=N1	REAL300003861319	1	44	0.0	-79.43	342.17	8.25	-71.18
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CC[N@@H+]2CCCCC2C1	REAL300003861320	0	46	0.0	-63.12	328.86	7.40	-55.72
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CC[N@H+]2CCCCC2C1	REAL300003861320	1	46	0.0	-71.10	332.14	7.18	-63.92
O=C([O-])C1=CC=CC2=C(C(=O)N3CC[N@@H+]4CCCCC4C3)C=CC=C12	REAL300003861321	0	47	0.0	-76.86	352.08	10.56	-66.30
O=C([O-])C1=CC=CC2=C(C(=O)N3CC[N@H+]4CCCCC4C3)C=CC=C12	REAL300003861321	1	47	0.0	-77.51	351.49	10.55	-66.96
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC[N@@H+]2CCCCC2C1	REAL300003861322	0	47	0.0	-90.29	354.76	10.03	-80.26
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC[N@H+]2CCCCC2C1	REAL300003861322	1	47	0.0	-90.24	354.43	10.01	-80.23
O=C([O-])C1=CSC(CC(=O)N2CC[N@@H+]3CCCCC3C2)=C1	REAL300003861323	0	41	0.0	-85.15	329.20	8.65	-76.50
O=C([O-])C1=CSC(CC(=O)N2CC[N@H+]3CCCCC3C2)=C1	REAL300003861323	1	41	0.0	-83.37	329.20	8.66	-74.71
O=C([O-])C1=CC=C(CC(=O)N2CC[N@@H+]3CCCCC3C2)C=C1F	REAL300003861324	0	44	0.0	-91.27	342.19	9.55	-81.72
O=C([O-])C1=CC=C(CC(=O)N2CC[N@H+]3CCCCC3C2)C=C1F	REAL300003861324	1	44	0.0	-91.23	342.20	9.54	-81.69
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CC[N@@H+]3CCCCC3C2)S1	REAL300003861325	1	48	0.0	-67.25	361.56	10.05	-57.20
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CC[N@H+]3CCCCC3C2)S1	REAL300003861325	1	48	0.0	-66.49	361.76	10.02	-56.47
O=C([O-])C12CCC(C(=O)N3CC[N@@H+]4CCCCC4C3)(CC1)CC2	REAL300003861326	1	51	0.0	-76.09	347.53	9.10	-66.99
O=C([O-])C12CCC(C(=O)N3CC[N@H+]4CCCCC4C3)(CC1)CC2	REAL300003861326	1	51	0.0	-76.69	347.40	9.12	-67.57
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)CCC3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300003861332	1	57	0.0	-81.92	438.70	12.18	-69.74
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300003861334	1	55	0.0	-82.55	425.95	11.84	-70.71
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)CCC3=CC=CC=C3C(=O)[O-])CC2)=C1	REAL300003861336	1	57	0.0	-71.25	430.40	11.86	-59.39
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)CC3=CC=CC(C(=O)[O-])=C3)CC2)=C1	REAL300003861337	1	54	0.0	-85.11	417.30	11.36	-73.75
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)=C1	REAL300003861343	1	56	0.0	-77.05	401.73	10.10	-66.95
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)CC3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300003861348	1	54	0.0	-89.82	417.86	11.33	-78.49
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)CC3CCC(C(=O)[O-])CC3)CC2)=C1	REAL300003861360	1	60	0.0	-68.59	429.67	11.31	-57.28
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)=C1	REAL300003861362	1	56	0.0	-77.05	401.73	10.10	-66.95
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)CCCC(=O)[O-])CC2)=C1	REAL300003861363	1	50	0.0	-80.25	379.37	9.28	-70.97
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)CC(C)CC(=O)[O-])CC2)=C1	REAL300003861364	1	53	0.0	-77.63	392.04	9.75	-67.88
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)CCSCC(=O)[O-])CC2)=C1	REAL300003861373	1	51	0.0	-74.74	402.40	9.87	-64.87
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)C=CC3=CC(C(=O)[O-])=CO3)CC2)=C1	REAL300003861381	1	52	0.0	-78.27	410.60	10.10	-68.17
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])O3)CC2)=C1	REAL300003861383	1	52	0.0	-71.87	412.16	10.44	-61.43
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)CC[C@@H]3C[C@H](C(=O)[O-])CO3)CC2)=C1	REAL300003861391	1	58	0.0	-77.73	435.71	9.49	-68.24
COC1=CC=CC(C(C)N2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300003861399	0	59	0.0	-48.40	433.75	8.96	-39.44
COC1=CC=CC(C(C)N2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=C1	REAL300003861399	1	59	0.0	-46.91	427.58	9.11	-37.80
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)CC3(CC(=O)[O-])CC3)CC2)=C1	REAL300003861417	1	54	0.0	-64.63	402.64	10.36	-54.27
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)CCC3=CC=CN=C3C(=O)[O-])CC2)=C1	REAL300003861422	1	56	0.0	-77.39	426.97	10.11	-67.28
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300003861425	1	55	0.0	-82.79	426.03	11.84	-70.95
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)C=CC3=CC=C(C(=O)[O-])N=C3)CC2)=C1	REAL300003861431	1	54	0.0	-83.15	421.79	10.07	-73.08
COC1=CC=CC(C(C)[NH+]2CCN(C(=O)CC3=CC=C(C(=O)[O-])C=C3C)CC2)=C1	REAL300003861436	1	57	0.0	-95.34	427.53	11.21	-84.13
O=C([O-])C1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C=C1	REAL300003861439	0	45	0.0	-69.27	340.84	6.51	-62.76
O=C([O-])COC1=CC=CC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=C1	REAL300003861440	0	49	0.0	-81.75	370.74	6.29	-75.46
O=C([O-])C1=CC=CC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=C1	REAL300003861441	0	45	0.0	-80.84	342.42	6.19	-74.65
O=C([O-])C1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)S1	REAL300003861442	1	42	0.0	-66.58	334.29	5.35	-61.23
O=C([O-])C1=CC=CC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=N1	REAL300003861443	1	44	0.0	-51.61	333.02	4.86	-46.75
CC(SC1=CC=CC=C1C(=O)N1CC[NH+](C2CCCC2O)CC1)C(=O)[O-]	REAL300003861444	1	52	0.0	-71.10	395.55	7.59	-63.51
CCOC1=CC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=CC=C1OCC(=O)[O-]	REAL300003861445	0	56	0.0	-79.61	422.35	7.08	-72.53
O=C([O-])C1=CC=C(CCC(=O)N2CC[NH+](C3CCCC3O)CC2)C=C1	REAL300003861446	0	51	0.0	-78.73	387.70	7.94	-70.79
O=C([O-])C1=CC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=CC=N1	REAL300003861447	1	44	0.0	-83.54	338.18	4.44	-79.10
O=C([O-])C1=CC=C(C=CC(=O)N2CC[NH+](C3CCCC3O)CC2)C=C1	REAL300003861448	0	49	0.0	-79.90	375.03	7.59	-72.31
O=C([O-])C1=CC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=CC([N+](=O)[O-])=C1	REAL300003861449	1	47	0.0	-60.61	369.15	6.72	-53.89
O=C([O-])C1=CC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=CC([N+](=O)[O-])=C1	REAL300003861450	1	47	0.0	-60.61	369.15	6.72	-53.89
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C=C1	REAL300003861451	0	55	0.0	-82.23	410.57	7.26	-74.97
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)N2CC[NH+](C3CCCC3O)CC2)=C1	REAL300003861452	1	52	0.0	-72.12	393.11	6.88	-65.24
O=C([O-])C1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)O1	REAL300003861453	1	42	0.0	-58.05	321.84	4.56	-53.49
O=C([O-])C1=CC=CC=C1CCC(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861454	0	51	0.0	-67.26	379.10	7.68	-59.58
CC1=CC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300003861455	0	55	0.0	-77.64	414.64	7.84	-69.80
O=C([O-])C1=CC=CC(CC(=O)N2CC[NH+](C3CCCC3O)CC2)=C1	REAL300003861456	0	48	0.0	-86.16	362.19	6.79	-79.37
O=C([O-])C1CCCC(C(=O)N2CC[NH+](C3CCCC3O)CC2)C1	REAL300003861457	0	51	0.0	-85.74	356.96	6.22	-79.52
O=C([O-])C1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C=N1	REAL300003861458	1	44	0.0	-73.56	335.25	4.14	-69.42
O=C([O-])C1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)N=C1	REAL300003861459	1	44	0.0	-61.35	331.93	4.83	-56.52
CC(C)(CC(=O)[O-])CC(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861460	0	50	0.0	-70.53	349.81	6.28	-64.25
O=C([O-])C1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C(F)=C1	REAL300003861461	1	45	0.0	-73.43	347.32	6.15	-67.28
O=C([O-])C1=CN=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C=N1	REAL300003861462	1	43	0.0	-64.59	332.05	3.40	-61.19
O=C([C@H]1CC[C@H](C(=O)[O-])CC1)N1CC[NH+](C2CCCC2O)CC1	REAL300003861463	0	51	0.0	-73.93	367.77	6.53	-67.40
O=C([O-])C1CCC(C(=O)N2CC[NH+](C3CCCC3O)CC2)CC1	REAL300003861464	0	51	0.0	-80.53	356.17	6.21	-74.32
O=C([O-])C1=CC=C(CC(=O)N2CC[NH+](C3CCCC3O)CC2)C=C1	REAL300003861465	0	48	0.0	-87.45	366.30	7.12	-80.33
O=C([O-])C1=CN(CC(=O)N2CC[NH+](C3CCCC3O)CC2)N=N1	REAL300003861466	0	44	0.0	-88.86	343.46	3.03	-85.83
CC1=NC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=CC=C1C(=O)[O-]	REAL300003861467	1	47	0.0	-62.25	348.51	5.31	-56.94
O=C([O-])C1=CC(Br)=CC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=C1	REAL300003861468	1	45	0.0	-74.15	363.50	6.78	-67.37
O=C([O-])C1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C=C1	REAL300003861469	0	45	0.0	-69.27	340.84	6.51	-62.76
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[NH+](C3CCCC3O)CC2)C1	REAL300003861470	0	48	0.0	-81.62	346.54	5.81	-75.81
O=C([O-])CC1=CC=CC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=C1	REAL300003861471	0	48	0.0	-80.72	361.57	6.78	-73.94
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861472	0	55	0.0	-54.91	402.80	8.79	-46.12
O=C([O-])CC1=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C=CO1	REAL300003861473	1	45	0.0	-66.62	343.83	5.13	-61.49
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861474	1	48	0.0	-49.52	362.15	5.62	-43.90
O=C([O-])C1=CC=NC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=C1	REAL300003861475	1	44	0.0	-72.34	336.17	5.18	-67.16
O=C([O-])C12CC(C(=O)N3CC[NH+](C4CCCC4O)CC3)(C1)C2	REAL300003861476	0	46	0.0	-72.27	335.61	5.45	-66.82
O=C([O-])C1CCC(CC(=O)N2CC[NH+](C3CCCC3O)CC2)CC1	REAL300003861477	0	54	0.0	-68.35	378.06	7.10	-61.25
O=C([O-])C12CCC(C(=O)N3CC[NH+](C4CCCC4O)CC3)(CC1)C2	REAL300003861478	0	52	0.0	-80.94	364.95	7.07	-73.87
O=C([O-])C12CCC(C(=O)N3CC[NH+](C4CCCC4O)CC3)(CC1)CC2	REAL300003861479	0	55	0.0	-74.97	370.30	7.08	-67.89
CC(C)(CC(=O)[O-])CC(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861480	0	50	0.0	-70.53	349.81	6.28	-64.25
O=C([O-])C1=C2N=CC=C(C(=O)N3CC[NH+](C4CCCC4O)CC3)N2N=C1	REAL300003861481	1	47	0.0	-87.10	370.30	5.20	-81.90
O=C([O-])CC1=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)NC2=CC=CC=C21	REAL300003861482	1	52	0.0	-72.96	391.59	6.34	-66.62
O=C([O-])C1=CC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=NO1	REAL300003861483	1	41	0.0	-61.37	319.27	4.22	-57.15
O=C([O-])C1(C(=O)N2CC[NH+](C3CCCC3O)CC2)CCCC1	REAL300003861484	0	48	0.0	-55.92	335.62	5.83	-50.09
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CC[NH+](C4CCCC4O)CC3)C2=C1	REAL300003861485	0	58	0.0	-70.72	421.01	9.44	-61.28
CC1=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C=C(C(=O)[O-])O1	REAL300003861486	1	45	0.0	-63.92	337.20	4.97	-58.95
CC1=C(C(=O)[O-])OC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=C1	REAL300003861487	1	45	0.0	-58.01	339.74	5.12	-52.89
O=C([O-])C1=CN(CC(=O)N2CC[NH+](C3CCCC3O)CC2)N=C1	REAL300003861488	0	45	0.0	-84.42	348.33	4.52	-79.90
O=C([O-])C=CC1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)O1	REAL300003861489	1	46	0.0	-62.56	354.96	5.75	-56.81
O=C([O-])C1(C(=O)N2CC[NH+](C3CCCC3O)CC2)CC2(CCC2)C1	REAL300003861490	0	52	0.0	-48.87	363.98	7.23	-41.64
O=C([O-])COC1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C=C1	REAL300003861491	0	49	0.0	-69.80	371.85	6.80	-63.00
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C1	REAL300003861492	0	54	0.0	-81.42	408.16	6.90	-74.52
O=C([O-])CSCCC(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861493	0	45	0.0	-68.55	350.49	6.04	-62.51
O=C([O-])C1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)N=C1	REAL300003861494	1	44	0.0	-61.35	331.93	4.83	-56.52
CN1N=C(C(=O)[O-])C=C1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861495	1	45	0.0	-70.16	336.68	3.47	-66.69
C[C@@H]1C[C@H](C(=O)N2CC[NH+](C3CCCC3O)CC2)O[C@H]1C(=O)[O-]	REAL300003861496	1	49	0.0	-76.91	356.95	6.32	-70.59
CC(C)(CCC(=O)[O-])C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861497	0	50	0.0	-77.41	349.78	5.81	-71.60
O=C([O-])CC1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C=C1	REAL300003861498	0	48	0.0	-69.40	362.99	7.29	-62.11
O=C([O-])C=CC1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C=C1	REAL300003861499	0	49	0.0	-74.18	372.94	7.81	-66.37
O=C([O-])C1=COC(C=CC(=O)N2CC[NH+](C3CCCC3O)CC2)=C1	REAL300003861500	0	46	0.0	-72.45	358.58	6.27	-66.18
O=C([O-])CCC1=CC=CC=C1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861501	0	51	0.0	-77.61	379.30	7.59	-70.02
O=C([O-])C1=C(COCC(=O)N2CC[NH+](C3CCCC3O)CC2)OC=N1	REAL300003861502	0	48	0.0	-83.12	374.40	2.21	-80.91
O=C([O-])C1=CC=C(C=CC(=O)N2CC[NH+](C3CCCC3O)CC2)O1	REAL300003861503	0	46	0.0	-65.17	360.14	6.62	-58.55
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[NH+](C3CCCC3O)CC2)C1	REAL300003861504	0	48	0.0	-81.62	346.54	5.81	-75.81
CC1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C=C1C(=O)[O-]	REAL300003861505	0	48	0.0	-81.27	357.77	6.61	-74.66
O=C([O-])C1=CN=CC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=C1	REAL300003861506	1	44	0.0	-76.79	334.53	4.13	-72.66
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861507	1	47	0.0	-60.95	350.67	4.61	-56.34
O=C([O-])C1=NN(CC(=O)N2CC[NH+](C3CCCC3O)CC2)C=C1	REAL300003861508	0	45	0.0	-95.89	347.72	4.54	-91.35
O=C([O-])C1=NN(CCCC(=O)N2CC[NH+](C3CCCC3O)CC2)C=C1	REAL300003861509	0	51	0.0	-93.70	390.34	6.39	-87.31
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CC[NH+](C3CCCC3O)CC2)O1	REAL300003861510	1	52	0.0	-83.57	375.37	6.55	-77.02
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CC[NH+](C3CCCC3O)CC2)C1	REAL300003861511	0	52	0.0	-71.87	382.56	5.70	-66.17
CC1=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)OC(C(=O)[O-])=C1	REAL300003861512	1	45	0.0	-59.83	339.84	5.26	-54.57
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861513	0	53	0.0	-68.93	361.39	8.34	-60.59
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861514	0	51	0.0	-69.26	354.68	6.87	-62.39
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCN(C3CCCC3O)CC2)C1	REAL300003861515	0	53	0.0	-47.50	382.18	4.46	-43.04
O=C([O-])C1CCC[N@H+](CC(=O)N2CCN(C3CCCC3O)CC2)C1	REAL300003861515	1	53	0.0	-43.09	369.07	4.55	-38.54
O=C([O-])C1(C(=O)N2CC[NH+](C3CCCC3O)CC2)CC1C1=CC=CC=C1	REAL300003861516	0	52	0.0	-58.68	383.56	7.70	-50.98
O=C([O-])CC1=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)NC2=CC=CC=C21	REAL300003861517	1	52	0.0	-72.96	391.59	6.34	-66.62
O=C([O-])C1=CN(CC(=O)N2CC[NH+](C3CCCC3O)CC2)C2=CC=CC=C12	REAL300003861518	0	52	0.0	-97.69	400.22	8.61	-89.08
O=C([O-])C1CC12CC(C(=O)N1CC[NH+](C3CCCC3O)CC1)C2	REAL300003861519	0	49	0.0	-83.88	364.40	6.76	-77.12
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861520	0	51	0.0	-79.35	367.59	8.13	-71.22
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861521	0	48	0.0	-64.75	357.38	6.37	-58.38
CC1(C(=O)[O-])CC(C(=O)N2CC[NH+](C3CCCC3O)CC2)C1	REAL300003861522	0	48	0.0	-63.11	350.70	5.83	-57.28
O=C([O-])C1=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C=CS1	REAL300003861523	1	42	0.0	-74.80	325.38	5.74	-69.06
O=C([O-])C1=NNC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=C1	REAL300003861524	1	42	0.0	-79.36	318.55	2.54	-76.82
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861525	1	47	0.0	-71.54	350.58	4.72	-66.82
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861526	0	48	0.0	-72.88	361.36	6.71	-66.17
O=C([O-])C1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C(Cl)=C1	REAL300003861527	1	45	0.0	-71.77	356.38	6.56	-65.21
O=C([O-])C1CC2(C1)CC(C(=O)N1CC[NH+](C3CCCC3O)CC1)C2	REAL300003861528	0	52	0.0	-72.21	379.91	7.65	-64.56
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=C1	REAL300003861529	1	48	0.0	-50.02	362.28	4.13	-45.89
CN1C(C(=O)[O-])=CC=C1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861530	0	46	0.0	-74.45	341.19	5.41	-69.04
O=C([O-])C1(C(=O)N2CC[NH+](C3CCCC3O)CC2)CC=CC1	REAL300003861531	0	46	0.0	-55.58	332.36	5.41	-50.17
O=C([O-])CCC1=CC=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C=C1	REAL300003861532	0	51	0.0	-69.88	384.39	8.10	-61.78
CC1=NNC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=C1C(=O)[O-]	REAL300003861533	1	45	0.0	-58.67	339.57	2.66	-56.01
O=C([O-])CC1(CC(=O)N2CC[NH+](C3CCCC3O)CC2)CC1	REAL300003861534	0	48	0.0	-65.34	355.25	6.15	-59.19
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CC[NH+](C3CCCC3O)CC1)C2	REAL300003861535	0	49	0.0	-80.45	373.64	7.27	-73.18
O=C([O-])C1=NC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=CS1	REAL300003861536	1	41	0.0	-53.12	328.99	4.19	-48.93
CC1=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)C=C(C(=O)[O-])S1	REAL300003861537	1	45	0.0	-62.11	352.58	5.93	-56.18
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CC[NH+](C3CCCC3O)CC1)=C2	REAL300003861538	1	45	0.0	-76.98	365.10	6.31	-70.67
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC[NH+](C3CCCC3O)CC2)=C1	REAL300003861539	1	49	0.0	-74.80	381.67	5.72	-69.08
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861540	1	48	0.0	-62.80	361.97	6.38	-56.42
O=C([O-])C1=C2C=C(C(=O)N3CC[NH+](C4CCCC4O)CC3)SC2=CC=C1	REAL300003861541	1	48	0.0	-81.64	375.34	7.44	-74.20
O=C([O-])C1=NC=CC=C1CCC(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861542	0	50	0.0	-73.28	374.21	6.32	-66.96
O=C([O-])C12CC(C(=O)N3CC[NH+](C4CCCC4O)CC3)(C1)OC2	REAL300003861543	1	47	0.0	-67.30	350.00	4.35	-62.95
O=C([O-])C1=CC=C(/C=C/C(=O)N2CC[NH+](C3CCCC3O)CC2)C=C1	REAL300003861544	0	49	0.0	-79.50	375.60	7.71	-71.79
O=C([O-])C1(C(=O)N2CC[NH+](C3CCCC3O)CC2)CC2(CCC2)C1	REAL300003861545	0	52	0.0	-48.87	363.98	7.23	-41.64
CN1N=CC(C(=O)[O-])=C1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861546	1	45	0.0	-68.70	344.53	3.44	-65.26
O=C([O-])C1=CSC2=C1NC(C(=O)N1CC[NH+](C3CCCC3O)CC1)=C2	REAL300003861547	1	46	0.0	-61.82	359.89	5.28	-56.54
O=C([O-])C1=CC2=C(C=C(C(=O)N3CC[NH+](C4CCCC4O)CC3)N2)S1	REAL300003861548	1	46	0.0	-76.81	363.70	5.75	-71.06
O=C([O-])C1=COC2=C1NC(C(=O)N1CC[NH+](C3CCCC3O)CC1)=C2	REAL300003861549	1	46	0.0	-63.50	355.47	4.87	-58.63
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861550	0	48	0.0	-77.48	355.33	6.56	-70.92
O=C([O-])C1=CC=C(C=CC(=O)N2CC[NH+](C3CCCC3O)CC2)C=N1	REAL300003861551	0	48	0.0	-76.89	369.83	6.24	-70.65
C=C1CCC1(C(=O)[O-])C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861552	0	46	0.0	-54.49	338.42	5.49	-49.00
O=C([O-])C1=CSC(C(=O)N2CC[NH+](C3CCCC3O)CC2)=C1	REAL300003861553	1	42	0.0	-81.70	331.65	5.03	-76.67
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861554	0	50	0.0	-69.41	361.69	4.68	-64.73
O=C([O-])C1=CC=CC2=C(C(=O)N3CC[NH+](C4CCCC4O)CC3)C=CC=C12	REAL300003861555	0	51	0.0	-78.78	377.07	7.85	-70.93
CC(C)[C@]1(C(=O)N2CC[NH+](C3CCCC3O)CC2)C[C@H]1C(=O)[O-]	REAL300003861556	0	51	0.0	-52.62	360.70	5.96	-46.66
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861557	0	51	0.0	-90.76	378.89	7.27	-83.49
O=C([O-])C1=CSC(CC(=O)N2CC[NH+](C3CCCC3O)CC2)=C1	REAL300003861558	0	45	0.0	-83.11	357.83	6.24	-76.87
O=C([O-])C1=CC=C(CC(=O)N2CC[NH+](C3CCCC3O)CC2)C=C1F	REAL300003861559	0	48	0.0	-90.81	370.83	7.13	-83.68
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CC[NH+](C2CCCC2O)CC1	REAL300003861560	0	48	0.0	-66.92	344.58	6.48	-60.44
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CC[NH+](C3CCCC3O)CC2)S1	REAL300003861561	1	52	0.0	-67.32	388.79	7.61	-59.71
O=C([O-])C12CCC(C(=O)N3CC[NH+](C4CCCC4O)CC3)(CC1)CC2	REAL300003861562	0	55	0.0	-74.97	370.30	7.08	-67.89
CC1CN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)CC1[NH+]1CCOCC1	REAL300003861570	1	51	0.0	-80.35	390.37	9.05	-71.30
CC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)CC1[NH+]1CCOCC1	REAL300003861572	1	49	0.0	-79.01	373.51	8.90	-70.11
CC1CN(C(=O)CCC2=CC=CC=C2C(=O)[O-])CC1[NH+]1CCOCC1	REAL300003861578	1	51	0.0	-72.19	381.73	8.80	-63.39
CC1CN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)CC1[NH+]1CCOCC1	REAL300003861580	1	48	0.0	-84.29	368.91	8.25	-76.04
CC1CN(C(=O)CC(C)(C)CC(=O)[O-])CC1[NH+]1CCOCC1	REAL300003861584	1	50	0.0	-73.95	352.97	6.91	-67.04
CC1CN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)CC1[NH+]1CCOCC1	REAL300003861589	1	48	0.0	-86.36	368.91	8.26	-78.10
CC1CN(C(=O)CN2C=C(C(=O)[O-])N=N2)CC1[NH+]1CCOCC1	REAL300003861590	1	44	0.0	-87.01	344.86	4.10	-82.91
CC1CN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])CC1[NH+]1CCOCC1	REAL300003861596	1	55	0.0	-68.60	407.97	10.24	-58.36
CC1CN(C(=O)CC2CCC(C(=O)[O-])CC2)CC1[NH+]1CCOCC1	REAL300003861601	1	54	0.0	-70.27	380.27	8.15	-62.12
CC1CN(C(=O)CC(C)(C)CC(=O)[O-])CC1[NH+]1CCOCC1	REAL300003861604	1	50	0.0	-73.95	352.97	6.91	-67.04
CC1CN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CC1[NH+]1CCOCC1	REAL300003861609	1	58	0.0	-73.91	420.89	10.68	-63.23
CC1CN(C(=O)CN2C=C(C(=O)[O-])C=N2)CC1[NH+]1CCOCC1	REAL300003861612	1	45	0.0	-82.98	349.78	5.57	-77.41
CC1CN(C(=O)CCSCC(=O)[O-])CC1[NH+]1CCOCC1	REAL300003861617	1	45	0.0	-73.39	354.14	6.76	-66.63
CC1CN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)CC1[NH+]1CCOCC1	REAL300003861624	1	46	0.0	-76.99	362.31	6.97	-70.02
CC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)CC1[NH+]1CCOCC1	REAL300003861627	1	46	0.0	-72.98	363.86	7.35	-65.63
CC1CN(C(=O)CN2C=CC(C(=O)[O-])=N2)CC1[NH+]1CCOCC1	REAL300003861632	1	45	0.0	-94.47	347.78	5.90	-88.57
CC1CN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)CC1[NH+]1CCOCC1	REAL300003861633	1	51	0.0	-94.53	393.99	7.10	-87.43
CC1CN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)CC1[NH+]1CCOCC1	REAL300003861635	1	52	0.0	-75.77	377.02	6.34	-69.43
CC1CN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1N1CCOCC1	REAL300003861639	0	53	0.0	-48.79	376.18	5.58	-43.21
CC1CN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1N1CCOCC1	REAL300003861639	1	53	0.0	-48.41	373.96	6.27	-42.14
CC1CN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CC1[NH+]1CCOCC1	REAL300003861642	1	52	0.0	-94.59	401.06	9.55	-85.04
CC1CN(C(=O)CC2(CC(=O)[O-])CC2)CC1[NH+]1CCOCC1	REAL300003861658	1	48	0.0	-66.23	356.11	7.28	-58.95
CC1CN(C(=O)CCC2=CC=CN=C2C(=O)[O-])CC1[NH+]1CCOCC1	REAL300003861666	1	50	0.0	-77.40	377.80	7.04	-70.36
CC1CN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CC1[NH+]1CCOCC1	REAL300003861668	1	49	0.0	-81.33	380.03	8.86	-72.47
CC1CN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CC1[NH+]1CCOCC1	REAL300003861675	1	48	0.0	-80.21	369.28	7.12	-73.09
CC1CN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC1[NH+]1CCOCC1	REAL300003861679	1	51	0.0	-82.34	380.25	9.26	-73.08
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CC(C)C([NH+]2CCOCC2)C1	REAL300003861681	1	51	0.0	-87.23	384.42	8.61	-78.62
CC1CN(C(=O)CC2=CC(C(=O)[O-])=CS2)CC1[NH+]1CCOCC1	REAL300003861682	1	45	0.0	-81.71	359.26	7.28	-74.43
CC1CN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CC1[NH+]1CCOCC1	REAL300003861683	1	48	0.0	-89.31	373.45	8.29	-81.02
C[N@@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861687	0	47	0.0	-78.25	334.82	9.76	-68.49
C[N@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861687	1	47	0.0	-80.56	332.93	9.74	-70.82
C[N@@H+]1CCN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861688	0	51	0.0	-82.71	366.04	10.02	-72.69
C[N@H+]1CCN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861688	1	51	0.0	-88.48	363.93	10.01	-78.47
C[N@@H+]1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861689	0	47	0.0	-85.68	334.70	9.74	-75.94
C[N@H+]1CCN(C(=O)C2=CC=CC(C(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861689	1	47	0.0	-92.56	332.86	9.73	-82.83
C[N@@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])S2)C2(CCCCC2)C1	REAL300003861690	0	44	0.0	-74.09	326.85	8.90	-65.19
C[N@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])S2)C2(CCCCC2)C1	REAL300003861690	1	44	0.0	-74.12	327.12	8.95	-65.17
C[N@@H+]1CCN(C(=O)C2=CC=CC(C(=O)[O-])=N2)C2(CCCCC2)C1	REAL300003861691	0	46	0.0	-62.06	332.30	8.69	-53.37
C[N@H+]1CCN(C(=O)C2=CC=CC(C(=O)[O-])=N2)C2(CCCCC2)C1	REAL300003861691	1	46	0.0	-62.05	332.35	8.68	-53.37
CCOC1=CC(C(=O)N2CC[N@H+](C)CC23CCCCC3)=CC=C1OCC(=O)[O-]	REAL300003861692	0	58	0.0	-85.14	414.93	10.70	-74.44
CCOC1=CC(C(=O)N2CC[N@@H+](C)CC23CCCCC3)=CC=C1OCC(=O)[O-]	REAL300003861692	1	58	0.0	-83.01	416.87	10.72	-72.29
C[N@@H+]1CCN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861693	0	53	0.0	-82.06	381.37	11.55	-70.51
C[N@H+]1CCN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861693	1	53	0.0	-82.05	381.48	11.56	-70.49
C[N@@H+]1CCN(C(=O)C2=CC=NC(C(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861694	0	46	0.0	-88.63	330.93	7.99	-80.64
C[N@H+]1CCN(C(=O)C2=CC=NC(C(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861694	1	46	0.0	-95.02	328.86	7.96	-87.06
C[N@@H+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861695	0	51	0.0	-82.87	370.45	11.27	-71.60
C[N@H+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861695	1	51	0.0	-82.87	370.41	11.27	-71.60
C[N@@H+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861696	0	49	0.0	-64.95	360.98	10.39	-54.56
C[N@H+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861696	1	49	0.0	-82.97	361.05	10.40	-72.57
C[N@@H+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861697	0	49	0.0	-64.95	360.98	10.39	-54.56
C[N@H+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861697	1	49	0.0	-82.97	361.05	10.40	-72.57
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CC[N@@H+](C)CC23CCCCC3)C=C1	REAL300003861698	0	57	0.0	-84.61	407.93	11.30	-73.31
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CC[N@H+](C)CC23CCCCC3)C=C1	REAL300003861698	1	57	0.0	-85.81	407.88	11.30	-74.51
C[N@@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])O2)C2(CCCCC2)C1	REAL300003861699	0	44	0.0	-66.52	320.58	8.49	-58.03
C[N@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])O2)C2(CCCCC2)C1	REAL300003861699	1	44	0.0	-66.65	320.81	8.50	-58.15
C[N@@H+]1CCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])C2(CCCCC2)C1	REAL300003861700	0	53	0.0	-79.09	372.43	11.27	-67.82
C[N@H+]1CCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])C2(CCCCC2)C1	REAL300003861700	1	53	0.0	-79.56	372.79	11.27	-68.29
CC1=CC(C(=O)N2CC[N@@H+](C)CC23CCCCC3)=CC(C)=C1OCC(=O)[O-]	REAL300003861701	0	57	0.0	-80.17	410.02	11.58	-68.59
CC1=CC(C(=O)N2CC[N@H+](C)CC23CCCCC3)=CC(C)=C1OCC(=O)[O-]	REAL300003861701	1	57	0.0	-82.72	408.02	11.56	-71.16
C[N@@H+]1CCN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861702	0	50	0.0	-85.08	359.96	10.73	-74.35
C[N@H+]1CCN(C(=O)CC2=CC=CC(C(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861702	1	50	0.0	-93.78	360.08	10.73	-83.05
C[N@@H+]1CCN(C(=O)C2CCCC(C(=O)[O-])C2)C2(CCCCC2)C1	REAL300003861703	0	53	0.0	-88.00	346.34	10.08	-77.92
C[N@H+]1CCN(C(=O)C2CCCC(C(=O)[O-])C2)C2(CCCCC2)C1	REAL300003861703	1	53	0.0	-78.68	335.70	9.63	-69.05
C[N@@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])N=C2)C2(CCCCC2)C1	REAL300003861704	0	46	0.0	-78.63	330.70	7.92	-70.71
C[N@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])N=C2)C2(CCCCC2)C1	REAL300003861704	1	46	0.0	-79.78	328.68	7.90	-71.88
C[N@@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)C2(CCCCC2)C1	REAL300003861705	0	46	0.0	-69.48	331.39	8.70	-60.78
C[N@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)C2(CCCCC2)C1	REAL300003861705	1	46	0.0	-69.58	331.60	8.70	-60.88
C[N@@H+]1CCN(C(=O)CC(C)(C)CC(=O)[O-])C2(CCCCC2)C1	REAL300003861706	0	52	0.0	-78.73	341.69	9.52	-69.21
C[N@H+]1CCN(C(=O)CC(C)(C)CC(=O)[O-])C2(CCCCC2)C1	REAL300003861706	1	52	0.0	-78.73	341.73	9.52	-69.21
C[N@@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)C2(CCCCC2)C1	REAL300003861707	0	47	0.0	-77.77	339.81	9.80	-67.97
C[N@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2F)C2(CCCCC2)C1	REAL300003861707	1	47	0.0	-77.82	339.83	9.80	-68.02
C[N@@H+]1CCN(C(=O)C2=CN=C(C(=O)[O-])C=N2)C2(CCCCC2)C1	REAL300003861708	0	45	0.0	-73.00	327.16	6.83	-66.17
C[N@H+]1CCN(C(=O)C2=CN=C(C(=O)[O-])C=N2)C2(CCCCC2)C1	REAL300003861708	1	45	0.0	-72.94	327.00	6.82	-66.12
C[N@@H+]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C2(CCCCC2)C1	REAL300003861709	0	53	0.0	-78.55	356.67	10.02	-68.53
C[N@H+]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C2(CCCCC2)C1	REAL300003861709	1	53	0.0	-78.45	355.94	10.04	-68.41
C[N@@H+]1CCN(C(=O)C2CCC(C(=O)[O-])CC2)C2(CCCCC2)C1	REAL300003861710	0	53	0.0	-93.55	336.31	9.68	-83.87
C[N@H+]1CCN(C(=O)C2CCC(C(=O)[O-])CC2)C2(CCCCC2)C1	REAL300003861710	1	53	0.0	-93.43	334.94	9.65	-83.78
C[N@@H+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861711	0	50	0.0	-92.01	359.97	10.74	-81.27
C[N@H+]1CCN(C(=O)CC2=CC=C(C(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861711	1	50	0.0	-91.89	360.09	10.74	-81.15
C[N@@H+]1CCN(C(=O)CN2C=C(C(=O)[O-])N=N2)C2(CCCCC2)C1	REAL300003861712	0	46	0.0	-93.99	337.14	6.70	-87.29
C[N@H+]1CCN(C(=O)CN2C=C(C(=O)[O-])N=N2)C2(CCCCC2)C1	REAL300003861712	1	46	0.0	-93.42	337.27	6.69	-86.73
CC1=NC(C(=O)N2CC[N@@H+](C)CC23CCCCC3)=CC=C1C(=O)[O-]	REAL300003861713	0	49	0.0	-69.90	347.39	9.17	-60.73
CC1=NC(C(=O)N2CC[N@H+](C)CC23CCCCC3)=CC=C1C(=O)[O-]	REAL300003861713	1	49	0.0	-69.99	347.13	9.25	-60.74
C[N@@H+]1CCN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861714	0	47	0.0	-84.79	354.09	10.32	-74.47
C[N@H+]1CCN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861714	1	47	0.0	-84.75	354.12	10.33	-74.42
C[N@@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861715	0	47	0.0	-78.25	334.82	9.76	-68.49
C[N@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861715	1	47	0.0	-80.56	332.93	9.74	-70.82
C[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2(CCCCC2)C1	REAL300003861716	0	50	0.0	-88.50	334.89	9.38	-79.12
C[N@H+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2(CCCCC2)C1	REAL300003861716	1	50	0.0	-85.07	337.13	9.39	-75.68
C[N@@H+]1CCN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861717	0	50	0.0	-83.37	357.16	10.51	-72.86
C[N@H+]1CCN(C(=O)C2=CC=CC(CC(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861717	1	50	0.0	-82.53	355.04	10.50	-72.03
C[N@@H+]1CCN(C(=O)C2=C(CC(=O)[O-])OC=C2)C2(CCCCC2)C1	REAL300003861718	0	47	0.0	-79.85	334.62	8.72	-71.13
C[N@H+]1CCN(C(=O)C2=C(CC(=O)[O-])OC=C2)C2(CCCCC2)C1	REAL300003861718	1	47	0.0	-89.02	334.84	8.72	-80.30
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC[N@@H+](C)CC12CCCCC2	REAL300003861719	0	50	0.0	-45.14	347.17	8.91	-36.23
CC1=COC(CC(=O)[O-])=C1C(=O)N1CC[N@H+](C)CC12CCCCC2	REAL300003861719	1	50	0.0	-77.11	350.88	9.23	-67.88
C[N@@H+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC=N2)C2(CCCCC2)C1	REAL300003861720	0	46	0.0	-79.50	331.60	8.71	-70.79
C[N@H+]1CCN(C(=O)C2=CC(C(=O)[O-])=CC=N2)C2(CCCCC2)C1	REAL300003861720	1	46	0.0	-79.51	331.63	8.69	-70.82
C[N@@H+]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)C2(CCCCC2)C1	REAL300003861721	0	56	0.0	-85.97	377.26	11.03	-74.94
C[N@H+]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)C2(CCCCC2)C1	REAL300003861721	1	56	0.0	-68.39	371.91	10.72	-57.67
C[N@@H+]1CCN(C(=O)CC(C)(C)CC(=O)[O-])C2(CCCCC2)C1	REAL300003861722	0	52	0.0	-78.73	341.69	9.52	-69.21
C[N@H+]1CCN(C(=O)CC(C)(C)CC(=O)[O-])C2(CCCCC2)C1	REAL300003861722	1	52	0.0	-78.73	341.73	9.52	-69.21
C[N@@H+]1CCN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C2(CCCCC2)C1	REAL300003861723	0	49	0.0	-83.17	353.23	9.34	-73.83
C[N@H+]1CCN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C2(CCCCC2)C1	REAL300003861723	1	49	0.0	-81.62	352.18	9.49	-72.13
C[N@@H+]1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C2(CCCCC2)C1	REAL300003861724	0	54	0.0	-87.20	384.70	10.90	-76.30
C[N@H+]1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C2(CCCCC2)C1	REAL300003861724	1	54	0.0	-96.45	385.02	10.92	-85.53
C[N@@H+]1CCN(C(=O)C2=NOC(C(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861725	0	43	0.0	-69.55	314.99	7.79	-61.76
C[N@H+]1CCN(C(=O)C2=NOC(C(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861725	1	43	0.0	-69.67	315.27	7.79	-61.88
C[N@@H+]1CCN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C2(CCCCC2)C1	REAL300003861726	0	60	0.0	-70.57	411.60	13.01	-57.56
C[N@H+]1CCN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C2(CCCCC2)C1	REAL300003861726	1	60	0.0	-78.17	414.08	12.95	-65.22
CC1=C(C(=O)N2CC[N@@H+](C)CC23CCCCC3)C=C(C(=O)[O-])O1	REAL300003861727	0	47	0.0	-70.86	335.36	8.92	-61.94
CC1=C(C(=O)N2CC[N@H+](C)CC23CCCCC3)C=C(C(=O)[O-])O1	REAL300003861727	1	47	0.0	-70.82	335.61	8.92	-61.90
CC1=C(C(=O)[O-])OC(C(=O)N2CC[N@@H+](C)CC23CCCCC3)=C1	REAL300003861728	0	47	0.0	-66.63	338.46	9.07	-57.56
CC1=C(C(=O)[O-])OC(C(=O)N2CC[N@H+](C)CC23CCCCC3)=C1	REAL300003861728	1	47	0.0	-66.84	338.72	9.08	-57.76
C[N@@H+]1CCN(C(=O)CN2C=C(C(=O)[O-])C=N2)C2(CCCCC2)C1	REAL300003861729	0	47	0.0	-89.15	342.02	8.17	-80.98
C[N@H+]1CCN(C(=O)CN2C=C(C(=O)[O-])C=N2)C2(CCCCC2)C1	REAL300003861729	1	47	0.0	-89.42	342.16	8.18	-81.24
C[N@@H+]1CCN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)C2(CCCCC2)C1	REAL300003861730	0	48	0.0	-68.69	353.66	9.68	-59.01
C[N@H+]1CCN(C(=O)C2=CC=C(C=CC(=O)[O-])O2)C2(CCCCC2)C1	REAL300003861730	1	48	0.0	-68.67	353.72	9.67	-59.00
C[N@@H+]1CCN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861731	0	51	0.0	-77.37	365.82	10.05	-67.32
C[N@H+]1CCN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861731	1	51	0.0	-79.56	363.93	10.03	-69.53
C[N@@H+]1CCN(C(=O)CCSCC(=O)[O-])C2(CCCCC2)C1	REAL300003861732	0	47	0.0	-75.89	345.14	9.25	-66.64
C[N@H+]1CCN(C(=O)CCSCC(=O)[O-])C2(CCCCC2)C1	REAL300003861732	1	47	0.0	-75.83	345.27	9.25	-66.58
C[N@@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)C2(CCCCC2)C1	REAL300003861733	0	46	0.0	-69.48	331.39	8.70	-60.78
C[N@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=N2)C2(CCCCC2)C1	REAL300003861733	1	46	0.0	-69.58	331.60	8.70	-60.88
CN1N=C(C(=O)[O-])C=C1C(=O)N1CC[N@H+](C)CC12CCCCC2	REAL300003861734	0	47	0.0	-76.73	334.37	7.46	-69.27
CN1N=C(C(=O)[O-])C=C1C(=O)N1CC[N@@H+](C)CC12CCCCC2	REAL300003861734	1	47	0.0	-76.65	334.14	7.45	-69.20
C[C@@H]1C[C@H](C(=O)N2CC[N@H+](C)CC23CCCCC3)O[C@H]1C(=O)[O-]	REAL300003861735	0	51	0.0	-87.61	354.58	9.21	-78.40
C[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C)CC23CCCCC3)O[C@H]1C(=O)[O-]	REAL300003861735	1	51	0.0	-84.37	351.78	9.16	-75.21
C[N@@H+]1CCN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861736	0	50	0.0	-70.54	357.02	10.53	-60.01
C[N@H+]1CCN(C(=O)C2=CC=C(CC(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861736	1	50	0.0	-78.29	357.03	10.53	-67.76
C[N@@H+]1CCN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861737	0	51	0.0	-79.60	366.90	11.06	-68.54
C[N@H+]1CCN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861737	1	51	0.0	-81.21	365.01	11.03	-70.18
C[N@@H+]1CCN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)C2(CCCCC2)C1	REAL300003861738	0	48	0.0	-79.70	354.79	9.52	-70.18
C[N@H+]1CCN(C(=O)C=CC2=CC(C(=O)[O-])=CO2)C2(CCCCC2)C1	REAL300003861738	1	48	0.0	-79.73	354.90	9.51	-70.22
C[N@@H+]1CCN(C(=O)COCC2=C(C(=O)[O-])N=CO2)C2(CCCCC2)C1	REAL300003861739	0	50	0.0	-85.82	368.09	5.60	-80.22
C[N@H+]1CCN(C(=O)COCC2=C(C(=O)[O-])N=CO2)C2(CCCCC2)C1	REAL300003861739	1	50	0.0	-92.88	368.20	5.60	-87.28
C[N@@H+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)C2(CCCCC2)C1	REAL300003861740	0	48	0.0	-73.45	356.39	9.88	-63.57
C[N@H+]1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])O2)C2(CCCCC2)C1	REAL300003861740	1	48	0.0	-73.49	356.50	9.88	-63.61
C[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2(CCCCC2)C1	REAL300003861741	0	50	0.0	-88.50	334.89	9.38	-79.12
C[N@H+]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C2(CCCCC2)C1	REAL300003861741	1	50	0.0	-85.07	337.13	9.39	-75.68
CC1=CC=C(C(=O)N2CC[N@@H+](C)CC23CCCCC3)C=C1C(=O)[O-]	REAL300003861742	0	50	0.0	-93.67	352.47	10.34	-83.33
CC1=CC=C(C(=O)N2CC[N@H+](C)CC23CCCCC3)C=C1C(=O)[O-]	REAL300003861742	1	50	0.0	-91.51	348.59	10.26	-81.25
C[N@@H+]1CCN(C(=O)C2=CN=CC(C(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861743	0	46	0.0	-78.48	329.93	7.89	-70.59
C[N@H+]1CCN(C(=O)C2=CN=CC(C(=O)[O-])=C2)C2(CCCCC2)C1	REAL300003861743	1	46	0.0	-83.89	328.01	7.88	-76.01
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CC[N@@H+](C)CC12CCCCC2	REAL300003861744	0	49	0.0	-68.75	346.20	8.57	-60.18
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CC[N@H+](C)CC12CCCCC2	REAL300003861744	1	49	0.0	-67.09	346.25	8.58	-58.51
C[N@@H+]1CCN(C(=O)CN2C=CC(C(=O)[O-])=N2)C2(CCCCC2)C1	REAL300003861745	0	47	0.0	-104.97	341.19	8.21	-96.76
C[N@H+]1CCN(C(=O)CN2C=CC(C(=O)[O-])=N2)C2(CCCCC2)C1	REAL300003861745	1	47	0.0	-97.96	341.47	8.20	-89.76
C[N@@H+]1CCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)C2(CCCCC2)C1	REAL300003861746	0	53	0.0	-100.90	385.00	9.60	-91.30
C[N@H+]1CCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)C2(CCCCC2)C1	REAL300003861746	1	53	0.0	-97.21	385.10	9.61	-87.60
C[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C2(CCCCC2)C1	REAL300003861747	0	54	0.0	-88.81	372.28	9.55	-79.26
C[N@H+]1CCN(C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C2(CCCCC2)C1	REAL300003861747	1	54	0.0	-89.28	374.05	9.62	-79.66
C[N@@H+]1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C2(CCCCC2)C1	REAL300003861748	0	54	0.0	-80.44	378.00	8.86	-71.58
C[N@H+]1CCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C2(CCCCC2)C1	REAL300003861748	1	54	0.0	-77.18	378.14	8.86	-68.32
CC1=C(C(=O)N2CC[N@@H+](C)CC23CCCCC3)OC(C(=O)[O-])=C1	REAL300003861749	0	47	0.0	-66.88	338.28	9.16	-57.72
CC1=C(C(=O)N2CC[N@H+](C)CC23CCCCC3)OC(C(=O)[O-])=C1	REAL300003861749	1	47	0.0	-67.00	338.79	9.17	-57.83
C[N@@H+]1CCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C2(CCCCC2)C1	REAL300003861750	0	55	0.0	-74.39	343.26	10.94	-63.45
C[N@H+]1CCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C2(CCCCC2)C1	REAL300003861750	1	55	0.0	-54.31	354.96	11.01	-43.30
C[N@@H+]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C2(CCCCC2)C1	REAL300003861751	0	53	0.0	-73.77	331.57	10.11	-63.66
C[N@H+]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C2(CCCCC2)C1	REAL300003861751	1	53	0.0	-71.99	331.02	9.59	-62.40
CN1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2(CCCCC2)C1	REAL300003861752	1	55	0.0	-46.35	376.06	8.15	-38.20
CN1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2(CCCCC2)C1	REAL300003861752	1	55	0.0	-46.45	370.57	8.19	-38.26
C[N@@H+]1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C2(CCCCC2)C1	REAL300003861753	0	54	0.0	-87.20	384.70	10.90	-76.30
C[N@H+]1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C2(CCCCC2)C1	REAL300003861753	1	54	0.0	-96.45	385.02	10.92	-85.53
C[N@@H+]1CCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C2(CCCCC2)C1	REAL300003861754	0	54	0.0	-103.68	393.38	12.15	-91.53
C[N@H+]1CCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C2(CCCCC2)C1	REAL300003861754	1	54	0.0	-97.62	393.38	12.18	-85.44
C[N@@H+]1CCN(C(=O)C2CC3(CC3C(=O)[O-])C2)C2(CCCCC2)C1	REAL300003861755	0	51	0.0	-88.14	356.97	10.37	-77.77
C[N@H+]1CCN(C(=O)C2CC3(CC3C(=O)[O-])C2)C2(CCCCC2)C1	REAL300003861755	1	51	0.0	-69.83	353.06	10.27	-59.56
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CC[N@H+](C)CC12CCCCC2	REAL300003861756	0	53	0.0	-87.56	365.46	10.95	-76.61
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CC[N@@H+](C)CC12CCCCC2	REAL300003861756	1	53	0.0	-87.00	364.77	10.93	-76.07
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC[N@@H+](C)CC12CCCCC2	REAL300003861757	0	50	0.0	-70.36	351.06	10.37	-59.99
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CC[N@H+](C)CC12CCCCC2	REAL300003861757	1	50	0.0	-70.50	350.99	10.36	-60.14
C[N@@H+]1CCN(C(=O)C2CC(C)(C(=O)[O-])C2)C2(CCCCC2)C1	REAL300003861758	0	50	0.0	-80.60	344.59	9.42	-71.18
C[N@H+]1CCN(C(=O)C2CC(C)(C(=O)[O-])C2)C2(CCCCC2)C1	REAL300003861758	1	50	0.0	-87.81	342.10	9.38	-78.43
C[N@@H+]1CCN(C(=O)C2=CC(C(=O)[O-])=NN2)C2(CCCCC2)C1	REAL300003861759	0	44	0.0	-86.47	316.61	6.49	-79.98
C[N@H+]1CCN(C(=O)C2=CC(C(=O)[O-])=NN2)C2(CCCCC2)C1	REAL300003861759	1	44	0.0	-86.56	316.63	6.48	-80.08
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CC[N@@H+](C)CC12CCCCC2	REAL300003861760	0	49	0.0	-73.38	343.21	8.48	-64.90
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CC[N@H+](C)CC12CCCCC2	REAL300003861760	1	49	0.0	-74.91	342.36	8.45	-66.46
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CC[N@@H+](C)CC12CCCCC2	REAL300003861761	0	50	0.0	-78.88	350.72	10.39	-68.49
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CC[N@H+](C)CC12CCCCC2	REAL300003861761	1	50	0.0	-78.95	350.72	10.37	-68.58
C[N@@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C2(CCCCC2)C1	REAL300003861762	0	47	0.0	-76.52	348.15	10.21	-66.31
C[N@H+]1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C2(CCCCC2)C1	REAL300003861762	1	47	0.0	-76.59	348.17	10.21	-66.38
C[N@@H+]1CCN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)C2(CCCCC2)C1	REAL300003861763	0	54	0.0	-81.14	374.13	10.82	-70.32
C[N@H+]1CCN(C(=O)C2CC3(CC(C(=O)[O-])C3)C2)C2(CCCCC2)C1	REAL300003861763	1	54	0.0	-81.59	371.89	10.80	-70.79
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC[N@H+](C)CC23CCCCC3)=C1	REAL300003861764	0	50	0.0	-61.00	362.08	7.99	-53.01
COC1=CC(C(=O)[O-])=NC(C(=O)N2CC[N@@H+](C)CC23CCCCC3)=C1	REAL300003861764	1	50	0.0	-60.84	361.87	8.00	-52.84
CN1C(C(=O)[O-])=CC=C1C(=O)N1CC[N@H+](C)CC12CCCCC2	REAL300003861765	0	48	0.0	-81.85	335.02	8.95	-72.90
CN1C(C(=O)[O-])=CC=C1C(=O)N1CC[N@@H+](C)CC12CCCCC2	REAL300003861765	1	48	0.0	-81.76	334.74	8.97	-72.79
C[N@@H+]1CCN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861766	0	53	0.0	-76.02	378.42	11.33	-64.69
C[N@H+]1CCN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861766	1	53	0.0	-79.46	376.50	11.32	-68.14
C[N@@H+]1CCN(C(=O)CC2(CC(=O)[O-])CC2)C2(CCCCC2)C1	REAL300003861767	0	50	0.0	-76.04	346.56	9.81	-66.23
C[N@H+]1CCN(C(=O)CC2(CC(=O)[O-])CC2)C2(CCCCC2)C1	REAL300003861767	1	50	0.0	-66.75	345.78	9.85	-56.90
C[N@@H+]1CCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C2(CCCCC2)C1	REAL300003861768	0	51	0.0	-65.88	367.13	10.47	-55.41
C[N@H+]1CCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C2(CCCCC2)C1	REAL300003861768	1	51	0.0	-69.39	364.75	10.42	-58.97
C[N@@H+]1CCN(C(=O)C2=CSC(C(=O)[O-])=N2)C2(CCCCC2)C1	REAL300003861769	0	43	0.0	-60.93	323.71	7.56	-53.37
C[N@H+]1CCN(C(=O)C2=CSC(C(=O)[O-])=N2)C2(CCCCC2)C1	REAL300003861769	1	43	0.0	-61.10	323.92	7.56	-53.54
CC1=C(C(=O)N2CC[N@@H+](C)CC23CCCCC3)C=C(C(=O)[O-])S1	REAL300003861770	0	47	0.0	-68.43	344.06	9.62	-58.81
CC1=C(C(=O)N2CC[N@H+](C)CC23CCCCC3)C=C(C(=O)[O-])S1	REAL300003861770	1	47	0.0	-67.05	342.08	9.61	-57.44
C[N@@H+]1CCN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C2(CCCCC2)C1	REAL300003861771	1	47	0.0	-84.13	362.30	10.29	-73.84
C[N@H+]1CCN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C2(CCCCC2)C1	REAL300003861771	1	47	0.0	-84.04	362.61	10.31	-73.73
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC[N@H+](C)CC23CCCCC3)=C1	REAL300003861772	0	51	0.0	-84.88	370.73	9.42	-75.46
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC[N@@H+](C)CC23CCCCC3)=C1	REAL300003861772	1	51	0.0	-85.04	370.57	9.42	-75.62
C[N@@H+]1CCN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C2(CCCCC2)C1	REAL300003861773	1	50	0.0	-93.17	367.91	11.02	-82.15
C[N@H+]1CCN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C2(CCCCC2)C1	REAL300003861773	1	50	0.0	-93.17	367.76	10.99	-82.18
C[N@@H+]1CCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])C2(CCCCC2)C1	REAL300003861774	0	52	0.0	-85.33	369.34	9.52	-75.81
C[N@H+]1CCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])C2(CCCCC2)C1	REAL300003861774	1	52	0.0	-73.63	369.22	9.54	-64.09
C[N@@H+]1CCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861775	0	51	0.0	-82.87	370.25	11.27	-71.60
C[N@H+]1CCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C2(CCCCC2)C1	REAL300003861775	1	51	0.0	-82.87	370.21	11.26	-71.61
C[N@@H+]1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C2(CCCCC2)C1	REAL300003861776	0	48	0.0	-67.73	357.83	9.20	-58.53
C[N@H+]1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C2(CCCCC2)C1	REAL300003861776	1	48	0.0	-67.77	357.83	9.22	-58.55
C[N@@H+]1CCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C2(CCCCC2)C1	REAL300003861777	0	48	0.0	-81.98	358.05	9.35	-72.63
C[N@H+]1CCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C2(CCCCC2)C1	REAL300003861777	1	48	0.0	-82.00	358.06	9.34	-72.66
C[N@@H+]1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C2(CCCCC2)C1	REAL300003861778	0	48	0.0	-70.02	349.15	8.33	-61.69
C[N@H+]1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C2(CCCCC2)C1	REAL300003861778	1	48	0.0	-70.03	349.11	8.34	-61.69
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C[N@@H+]1CCCC2CN(C(=O)CC3=CC=CC(C(=O)[O-])=C3)CCC21	REAL300003861807	0	47	0.0	-84.63	353.87	9.99	-74.64
C[N@H+]1CCCC2CN(C(=O)CC3=CC=CC(C(=O)[O-])=C3)CCC21	REAL300003861807	1	47	0.0	-85.32	346.77	9.60	-75.72
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C[N@H+]1CCCC2CN(C(=O)CCC3=CC=CN=C3C(=O)[O-])CCC21	REAL300003861881	1	49	0.0	-75.25	362.79	8.79	-66.46
C[N@@H+]1CCCC2CN(C(=O)C34CC(C(=O)[O-])(C3)CO4)CCC21	REAL300003861882	0	46	0.0	-71.07	329.70	6.78	-64.29
C[N@H+]1CCCC2CN(C(=O)C34CC(C(=O)[O-])(C3)CO4)CCC21	REAL300003861882	1	46	0.0	-70.38	336.97	7.16	-63.22
C[N@@H+]1CCCC2CN(C(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)CCC21	REAL300003861883	0	48	0.0	-80.63	355.43	10.09	-70.54
C[N@H+]1CCCC2CN(C(=O)/C=C/C3=CC=C(C(=O)[O-])C=C3)CCC21	REAL300003861883	1	48	0.0	-78.69	362.52	10.49	-68.20
C[N@@H+]1CCCC2CN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CCC21	REAL300003861884	0	51	0.0	-68.13	359.94	9.61	-58.52
C[N@H+]1CCCC2CN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CCC21	REAL300003861884	1	51	0.0	-65.10	356.01	9.54	-55.56
CN1N=CC(C(=O)[O-])=C1C(=O)N1CCC2C(CCC[N@@H+]2C)C1	REAL300003861885	0	44	0.0	-70.39	328.45	6.23	-64.16
CN1N=CC(C(=O)[O-])=C1C(=O)N1CCC2C(CCC[N@H+]2C)C1	REAL300003861885	1	44	0.0	-73.31	328.63	6.22	-67.09
C[N@@H+]1CCCC2CN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CS4)CCC21	REAL300003861886	0	45	0.0	-65.92	344.05	8.11	-57.81
C[N@H+]1CCCC2CN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CS4)CCC21	REAL300003861886	1	45	0.0	-66.15	344.12	8.10	-58.05
C[N@@H+]1CCCC2CN(C(=O)C3=CC4=C(C=C(C(=O)[O-])S4)N3)CCC21	REAL300003861887	0	45	0.0	-76.98	344.27	8.24	-68.74
C[N@H+]1CCCC2CN(C(=O)C3=CC4=C(C=C(C(=O)[O-])S4)N3)CCC21	REAL300003861887	1	45	0.0	-76.04	351.40	8.65	-67.39
C[N@@H+]1CCCC2CN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CO4)CCC21	REAL300003861888	0	45	0.0	-67.46	335.39	7.26	-60.20
C[N@H+]1CCCC2CN(C(=O)C3=CC4=C(N3)C(C(=O)[O-])=CO4)CCC21	REAL300003861888	1	45	0.0	-66.47	342.56	7.67	-58.80
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCC2C(CCC[N@H+]2C)C1	REAL300003861889	0	47	0.0	-77.67	342.09	9.44	-68.23
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCC2C(CCC[N@@H+]2C)C1	REAL300003861889	1	47	0.0	-79.28	335.06	9.07	-70.21
C[N@@H+]1CCCC2CN(C(=O)C=CC3=CC=C(C(=O)[O-])N=C3)CCC21	REAL300003861890	0	47	0.0	-80.29	351.21	8.31	-71.98
C[N@H+]1CCCC2CN(C(=O)C=CC3=CC=C(C(=O)[O-])N=C3)CCC21	REAL300003861890	1	47	0.0	-80.21	351.28	8.34	-71.87
C[N@@H+]1CCCC2CN(C(=O)C3=CC(C(=O)[O-])=CS3)CCC21	REAL300003861891	0	41	0.0	-80.23	313.38	7.62	-72.61
C[N@H+]1CCCC2CN(C(=O)C3=CC(C(=O)[O-])=CS3)CCC21	REAL300003861891	1	41	0.0	-82.01	319.65	7.95	-74.06
C[N@@H+]1CCCC2CN(C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])CCC21	REAL300003861892	0	49	0.0	-80.29	348.40	7.66	-72.63
C[N@H+]1CCCC2CN(C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])CCC21	REAL300003861892	1	49	0.0	-81.00	341.24	7.25	-73.75
C[N@@H+]1CCCC2CN(C(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)CCC21	REAL300003861893	0	50	0.0	-78.56	362.06	10.68	-67.88
C[N@H+]1CCCC2CN(C(=O)C3=CC=CC4=C(C(=O)[O-])C=CC=C34)CCC21	REAL300003861893	1	50	0.0	-77.80	369.07	11.07	-66.73
CC(C)[C@]1(C(=O)N2CCC3C(CCC[N@@H+]3C)C2)C[C@H]1C(=O)[O-]	REAL300003861894	0	50	0.0	-83.18	346.92	9.13	-74.05
CC(C)[C@]1(C(=O)N2CCC3C(CCC[N@H+]3C)C2)C[C@H]1C(=O)[O-]	REAL300003861894	1	50	0.0	-72.99	347.70	8.67	-64.32
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCC2C(CCC[N@H+]2C)C1	REAL300003861895	0	50	0.0	-91.50	363.80	10.11	-81.39
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCC2C(CCC[N@@H+]2C)C1	REAL300003861895	1	50	0.0	-91.88	363.86	10.13	-81.75
C[N@@H+]1CCCC2CN(C(=O)CC3=CC(C(=O)[O-])=CS3)CCC21	REAL300003861896	0	44	0.0	-84.54	345.41	9.14	-75.40
C[N@H+]1CCCC2CN(C(=O)CC3=CC(C(=O)[O-])=CS3)CCC21	REAL300003861896	1	44	0.0	-85.28	338.31	8.75	-76.53
C[N@@H+]1CCCC2CN(C(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)CCC21	REAL300003861897	0	47	0.0	-92.93	351.23	9.62	-83.31
C[N@H+]1CCCC2CN(C(=O)CC3=CC=C(C(=O)[O-])C(F)=C3)CCC21	REAL300003861897	1	47	0.0	-92.34	351.31	9.65	-82.69
C[N@@H+]1CCCC2CN(C(=O)C3=C4CCCCC4=C(C(=O)[O-])S3)CCC21	REAL300003861898	0	51	0.0	-71.53	369.99	10.13	-61.40
C[N@H+]1CCCC2CN(C(=O)C3=C4CCCCC4=C(C(=O)[O-])S3)CCC21	REAL300003861898	1	51	0.0	-73.32	369.94	10.12	-63.20
C[N@@H+]1CCCC2CN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CCC21	REAL300003861899	0	54	0.0	-78.54	356.08	9.19	-69.35
C[N@H+]1CCCC2CN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CCC21	REAL300003861899	1	54	0.0	-77.71	364.24	9.64	-68.07
C[NH+](C)CC1CCN(C(=O)C2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300003861900	0	44	0.0	-83.87	341.00	8.21	-75.66
C[NH+](C)CC1CCN(C(=O)C2CCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])O2)C1	REAL300003861901	0	52	0.0	-86.10	412.06	6.81	-79.29
C[NH+](C)CC1CCN(C(=O)C2=CC=CC=C2SCC2=C(C(=O)[O-])C=CO2)C1	REAL300003861902	0	51	0.0	-86.36	412.68	11.11	-75.25
CC(SC1=CC=CC=C1C(=O)N1CCC(C[NH+](C)C)C1)C(=O)[O-]	REAL300003861903	0	47	0.0	-78.61	369.55	9.84	-68.77
CCOC1=CC(C(=O)N2CCC(C[NH+](C)C)C2)=CC=C1OCC(=O)[O-]	REAL300003861904	0	51	0.0	-84.20	392.14	8.91	-75.29
C[NH+](C)CC1CCN(C(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003861905	0	46	0.0	-82.72	362.56	9.97	-72.75
C[NH+](C)CC1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003861906	0	44	0.0	-79.89	350.18	9.61	-70.28
C[NH+](C)CC1CCN(C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300003861907	0	48	0.0	-81.00	395.08	4.85	-76.15
C[NH+](C)CC1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300003861908	0	42	0.0	-66.56	338.32	8.61	-57.95
CC1=NN(C2=CC=C(C(=O)N3CCC(C[NH+](C)C)C3)C=C2)C(C)=C1CCC(=O)[O-]	REAL300003861909	0	59	0.0	-81.19	449.10	11.55	-69.64
C[NH+](C)CC1CCN(C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300003861910	0	42	0.0	-66.56	338.32	8.61	-57.95
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCC(C[NH+](C)C)C2)C=C1	REAL300003861911	0	50	0.0	-82.09	384.94	9.50	-72.59
C[NH+](C)CC1CCN(C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300003861912	0	47	0.0	-82.13	368.63	9.09	-73.04
C[NH+](C)CC1CCN(C(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300003861913	0	46	0.0	-78.04	353.93	9.70	-68.34
CC1=CC(C(=O)N2CCC(C[NH+](C)C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300003861914	0	50	0.0	-79.91	382.81	9.68	-70.23
C[NH+](C)CC1CCN(C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300003861915	0	40	0.0	-66.92	331.45	8.55	-58.37
C[NH+](C)CC1CCN(C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C1	REAL300003861916	0	50	0.0	-69.63	378.91	11.13	-58.50
C[NH+](C)CC1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300003861917	0	50	0.0	-81.11	349.10	8.80	-72.31
C[NH+](C)CC1CCN(C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C1	REAL300003861918	0	42	0.0	-93.06	344.52	7.20	-85.86
C[NH+](C)CC1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300003861919	0	47	0.0	-91.96	362.98	9.28	-82.68
C[NH+](C)CC1CCN(C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300003861920	0	53	0.0	-78.87	395.31	11.39	-67.48
C[NH+](C)CC1CCN(C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300003861921	0	44	0.0	-77.30	341.14	8.21	-69.09
C[NH+](C)CC1CCN(C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300003861922	0	49	0.0	-89.56	383.94	8.99	-80.57
C[NH+](C)CC1CCN(C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300003861923	0	44	0.0	-78.92	342.31	9.24	-69.68
C[NH+](C)CC1CCN(C(=O)C2=CC=CC=C2CCC(=O)[O-])C1	REAL300003861924	0	46	0.0	-75.70	352.81	9.53	-66.17
C[NH+](C)CC1CCN(C(=O)COCC2=C(C(=O)[O-])N=CO2)C1	REAL300003861925	0	43	0.0	-85.51	349.02	4.24	-81.27
C[NH+](C)CC1CCN(C(=O)CCCN2C=CC(C(=O)[O-])=N2)C1	REAL300003861926	0	46	0.0	-99.12	366.01	8.05	-91.07
C[NH+](C)CC1CCN(C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C1	REAL300003861927	0	48	0.0	-72.44	345.88	9.46	-62.98
C[NH+](C)CC1CCN(C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C1	REAL300003861928	0	47	0.0	-76.03	358.68	9.77	-66.26
C[NH+](C)CC1CCN(C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300003861929	0	47	0.0	-91.96	362.98	9.28	-82.68
C[NH+](C)CC1CCN(C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300003861930	0	47	0.0	-97.80	374.52	10.58	-87.22
C[NH+](C)CC1CCN(C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300003861931	0	40	0.0	-74.33	328.70	8.56	-65.77
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCC(C[NH+](C)C)C2)=C1	REAL300003861932	0	43	0.0	-67.57	340.62	6.41	-61.16
C[NH+](C)CC1CCN(C(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300003861933	0	46	0.0	-75.56	357.77	9.67	-65.89
C[NH+](C)CC1CCN(C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C1	REAL300003861934	0	44	0.0	-79.02	350.31	9.00	-70.02
C[NH+](C)CC1CCN(C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1	REAL300003861935	0	40	0.0	-80.84	340.25	8.70	-72.14
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCC(C[NH+](C)C)C2)=C1	REAL300003861936	0	44	0.0	-77.51	353.94	7.74	-69.77
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CCC(C[NH+](C)C)C1	REAL300003861937	0	43	0.0	-70.64	340.01	8.75	-61.89
C[NH+](C)CC1CCN(C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C1	REAL300003861938	0	43	0.0	-88.31	345.48	9.40	-78.91
C[NH+](C)CC1CCN(C(=O)CCC2=CC=CN=C2C(=O)[O-])C1	REAL300003861939	0	45	0.0	-82.40	350.10	7.94	-74.46
C[NH+](C)CC1CCN(C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1	REAL300003861940	0	44	0.0	-79.62	350.04	9.61	-70.01
C[NH+](C)CC1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300003861941	0	41	0.0	-71.47	336.09	7.57	-63.90
C[NH+](C)CC1CCN(C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300003861942	0	41	0.0	-78.69	336.31	7.69	-71.00
C[NH+](C)CC1CCN(C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300003861943	0	41	0.0	-72.45	327.43	6.69	-65.76
C[NH+](C)CC1CCN(C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300003861944	0	43	0.0	-81.40	345.95	7.83	-73.57
C[NH+](C)CC1CCN(C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300003861945	0	46	0.0	-80.83	352.47	10.15	-70.68
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCC(C[NH+](C)C)C1	REAL300003861946	0	46	0.0	-91.16	357.73	9.64	-81.52
C[NH+](C)CC1CCN(C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300003861947	0	43	0.0	-92.33	345.63	9.19	-83.14
C[NH+](C)CC1CCN(C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C1	REAL300003861948	0	47	0.0	-75.48	359.34	9.66	-65.82
C[NH+](C)CC1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300003861949	0	50	0.0	-81.11	349.10	8.80	-72.31
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300003861950	0	48	0.0	-82.50	370.57	10.99	-71.51
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300003861950	1	48	0.0	-82.83	373.66	11.14	-71.69
O=C([O-])COC1=CC=CC(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300003861951	0	52	0.0	-69.55	402.38	11.24	-58.31
O=C([O-])COC1=CC=CC(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300003861951	1	52	0.0	-72.10	404.90	11.41	-60.69
O=C([O-])C1=CC=CC(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300003861952	0	48	0.0	-67.61	371.31	10.97	-56.64
O=C([O-])C1=CC=CC(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300003861952	1	48	0.0	-69.56	373.84	11.13	-58.43
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)S1	REAL300003861953	0	45	0.0	-74.32	364.06	10.26	-64.06
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)S1	REAL300003861953	1	45	0.0	-76.14	366.74	10.24	-65.90
O=C([O-])C1=CC=CC(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=N1	REAL300003861954	0	47	0.0	-61.16	371.13	10.20	-50.96
O=C([O-])C1=CC=CC(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=N1	REAL300003861954	1	47	0.0	-65.50	371.77	10.28	-55.22
O=C([O-])C1=CC=C(CCC(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300003861955	0	54	0.0	-84.00	423.08	13.03	-70.97
O=C([O-])C1=CC=C(CCC(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300003861955	1	54	0.0	-85.11	423.09	13.04	-72.07
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=CC=N1	REAL300003861956	0	47	0.0	-97.09	367.63	9.37	-87.72
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=CC=N1	REAL300003861956	1	47	0.0	-97.46	369.32	9.38	-88.08
O=C([O-])C1=CC=C(C=CC(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300003861957	0	52	0.0	-86.15	407.93	12.59	-73.56
O=C([O-])C1=CC=C(C=CC(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300003861957	1	52	0.0	-85.93	410.50	12.71	-73.22
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=CC([N+](=O)[O-])=C1	REAL300003861958	0	50	0.0	-64.73	397.67	11.59	-53.14
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=CC([N+](=O)[O-])=C1	REAL300003861958	1	50	0.0	-66.91	401.63	11.80	-55.11
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=CC([N+](=O)[O-])=C1	REAL300003861959	0	50	0.0	-64.73	397.67	11.59	-53.14
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=CC([N+](=O)[O-])=C1	REAL300003861959	1	50	0.0	-66.91	401.63	11.80	-55.11
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)O1	REAL300003861960	0	45	0.0	-65.76	359.09	9.78	-55.98
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)O1	REAL300003861960	1	45	0.0	-58.80	362.01	10.01	-48.79
O=C([O-])C1=CC=CC=C1CCC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003861961	0	54	0.0	-80.33	412.42	12.65	-67.68
O=C([O-])C1=CC=CC=C1CCC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003861961	1	54	0.0	-78.99	414.94	12.79	-66.20
O=C([O-])C1=CC=CC(CC(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300003861962	0	51	0.0	-91.33	401.07	12.16	-79.17
O=C([O-])C1=CC=CC(CC(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300003861962	1	51	0.0	-93.17	401.73	12.22	-80.95
O=C([O-])C1(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300003861963	0	45	0.0	-71.92	348.81	9.61	-62.31
O=C([O-])C1(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300003861963	1	45	0.0	-66.91	351.92	9.76	-57.15
O=C([O-])C1(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300003861964	0	45	0.0	-71.92	348.81	9.61	-62.31
O=C([O-])C1(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300003861964	1	45	0.0	-66.91	351.92	9.76	-57.15
O=C([O-])C1CCCC(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300003861965	0	54	0.0	-89.26	391.01	11.30	-77.96
O=C([O-])C1CCCC(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300003861965	1	54	0.0	-94.09	392.59	11.32	-82.77
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=N1	REAL300003861966	0	47	0.0	-87.19	366.43	9.20	-77.99
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=N1	REAL300003861966	1	47	0.0	-87.84	369.56	9.35	-78.49
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)N=C1	REAL300003861967	0	47	0.0	-71.32	369.50	10.19	-61.13
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)N=C1	REAL300003861967	1	47	0.0	-71.38	371.55	10.30	-61.08
CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003861968	0	53	0.0	-78.74	386.17	10.98	-67.76
CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003861968	1	53	0.0	-81.75	386.21	10.98	-70.77
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C(F)=C1	REAL300003861969	0	48	0.0	-76.74	378.53	11.10	-65.64
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C(F)=C1	REAL300003861969	1	48	0.0	-82.74	380.42	11.21	-71.53
O=C([O-])C1=CN=C(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=N1	REAL300003861970	0	46	0.0	-74.44	365.13	8.38	-66.06
O=C([O-])C1=CN=C(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=N1	REAL300003861970	1	46	0.0	-74.14	366.66	8.43	-65.71
O=C([O-])[C@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300003861971	0	54	0.0	-78.95	403.17	11.61	-67.34
O=C([O-])[C@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300003861971	1	54	0.0	-75.26	401.22	11.54	-63.72
O=C([O-])C1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300003861972	0	54	0.0	-81.11	400.76	11.51	-69.60
O=C([O-])C1CCC(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300003861972	1	54	0.0	-81.52	399.06	11.47	-70.05
O=C([O-])C1=CC=C(CC(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300003861973	0	51	0.0	-92.29	399.66	12.10	-80.19
O=C([O-])C1=CC=C(CC(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300003861973	1	51	0.0	-94.00	402.19	12.26	-81.74
O=C([O-])C1=CN(CC(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)N=N1	REAL300003861974	0	47	0.0	-95.56	377.33	8.16	-87.40
O=C([O-])C1=CN(CC(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)N=N1	REAL300003861974	1	47	0.0	-95.98	379.40	8.22	-87.76
CC1=NC(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=CC=C1C(=O)[O-]	REAL300003861975	0	50	0.0	-69.38	386.67	10.72	-58.66
CC1=NC(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=CC=C1C(=O)[O-]	REAL300003861975	1	50	0.0	-72.80	387.30	10.79	-62.01
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300003861976	0	48	0.0	-82.50	370.57	10.99	-71.51
O=C([O-])C1=CC=C(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300003861976	1	48	0.0	-82.83	373.66	11.14	-71.69
O=C([O-])[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300003861977	0	51	0.0	-89.29	377.95	10.75	-78.54
O=C([O-])[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C1	REAL300003861977	1	51	0.0	-89.41	382.94	11.01	-78.40
O=C([O-])CC1=CC=CC(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300003861978	0	51	0.0	-72.44	393.49	11.74	-60.70
O=C([O-])CC1=CC=CC(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300003861978	1	51	0.0	-73.08	396.00	11.90	-61.18
O=C([O-])CC1=C(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=CO1	REAL300003861979	0	48	0.0	-80.46	373.10	10.09	-70.37
O=C([O-])CC1=C(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=CO1	REAL300003861979	1	48	0.0	-85.22	376.12	10.17	-75.05
CC1=COC(CC(=O)[O-])=C1C(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003861980	0	51	0.0	-64.26	397.67	10.74	-53.52
CC1=COC(CC(=O)[O-])=C1C(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003861980	1	51	0.0	-72.12	404.45	11.01	-61.11
O=C([O-])C1=CC=NC(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300003861981	0	47	0.0	-83.70	368.94	10.24	-73.46
O=C([O-])C1=CC=NC(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300003861981	1	47	0.0	-74.04	372.88	10.34	-63.70
O=C([O-])C12CC(C(=O)N3C[C@@H]4C[N@@H+](CC5=CC=CC=C5)C[C@@H]4C3)(C1)C2	REAL300003861982	0	49	0.0	-79.18	374.59	10.81	-68.37
O=C([O-])C12CC(C(=O)N3C[C@@H]4C[N@H+](CC5=CC=CC=C5)C[C@@H]4C3)(C1)C2	REAL300003861982	1	49	0.0	-79.48	377.76	10.99	-68.49
O=C([O-])C1(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CCC1	REAL300003861983	0	48	0.0	-71.89	362.18	10.10	-61.79
O=C([O-])C1(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CCC1	REAL300003861983	1	48	0.0	-66.72	363.39	10.17	-56.55
CC(C)(C(=O)[O-])C(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003861984	0	47	0.0	-86.05	345.28	10.04	-76.01
CC(C)(C(=O)[O-])C(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003861984	1	47	0.0	-90.37	349.14	10.25	-80.12
O=C([O-])C1CCC(CC(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300003861985	0	57	0.0	-68.47	411.45	12.09	-56.38
O=C([O-])C1CCC(CC(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC1	REAL300003861985	1	57	0.0	-77.04	413.98	12.26	-64.78
O=C([O-])C12CCC(C(=O)N3C[C@@H]4C[N@@H+](CC5=CC=CC=C5)C[C@@H]4C3)(CC1)C2	REAL300003861986	0	55	0.0	-92.63	401.06	11.54	-81.09
O=C([O-])C12CCC(C(=O)N3C[C@@H]4C[N@H+](CC5=CC=CC=C5)C[C@@H]4C3)(CC1)C2	REAL300003861986	1	55	0.0	-84.82	405.55	11.66	-73.16
O=C([O-])C12CCC(C(=O)N3C[C@@H]4C[N@@H+](CC5=CC=CC=C5)C[C@@H]4C3)(CC1)CC2	REAL300003861987	0	58	0.0	-82.12	408.45	11.73	-70.39
O=C([O-])C12CCC(C(=O)N3C[C@@H]4C[N@H+](CC5=CC=CC=C5)C[C@@H]4C3)(CC1)CC2	REAL300003861987	1	58	0.0	-77.50	411.46	11.84	-65.66
CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003861988	0	53	0.0	-78.74	386.17	10.98	-67.76
CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003861988	1	53	0.0	-81.75	386.21	10.98	-70.77
O=C([O-])CCCC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003861989	0	47	0.0	-82.58	362.26	10.09	-72.49
O=C([O-])CCCC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003861989	1	47	0.0	-85.88	363.83	10.15	-75.73
CC(CC(=O)[O-])CC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003861990	0	50	0.0	-81.47	376.42	10.60	-70.87
CC(CC(=O)[O-])CC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003861990	1	50	0.0	-84.25	376.42	10.61	-73.64
O=C([O-])C1=C2N=CC=C(C(=O)N3C[C@@H]4C[N@@H+](CC5=CC=CC=C5)C[C@@H]4C3)N2N=C1	REAL300003861991	0	50	0.0	-100.98	404.03	10.26	-90.72
O=C([O-])C1=C2N=CC=C(C(=O)N3C[C@@H]4C[N@H+](CC5=CC=CC=C5)C[C@@H]4C3)N2N=C1	REAL300003861991	1	50	0.0	-98.38	405.59	10.24	-88.14
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=NO1	REAL300003861992	0	44	0.0	-68.52	353.57	9.13	-59.39
O=C([O-])C1=CC(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=NO1	REAL300003861992	1	44	0.0	-71.10	354.94	9.33	-61.77
O=C([O-])C1(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CCCC1	REAL300003861993	0	51	0.0	-59.46	366.88	10.36	-49.10
O=C([O-])C1(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CCCC1	REAL300003861993	1	51	0.0	-65.47	375.29	10.65	-54.82
CC1=C(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C(C(=O)[O-])O1	REAL300003861994	0	48	0.0	-72.24	374.66	10.35	-61.89
CC1=C(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C(C(=O)[O-])O1	REAL300003861994	1	48	0.0	-72.16	376.60	10.40	-61.76
CC1=C(C(=O)[O-])OC(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300003861995	0	48	0.0	-65.07	376.45	10.39	-54.68
CC1=C(C(=O)[O-])OC(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)=C1	REAL300003861995	1	48	0.0	-69.87	378.27	10.53	-59.34
O=C([O-])C1=CN(CC(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)N=C1	REAL300003861996	0	48	0.0	-93.39	381.01	9.53	-83.86
O=C([O-])C1=CN(CC(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)N=C1	REAL300003861996	1	48	0.0	-91.41	383.71	9.66	-81.75
O=C([O-])C=CC1=CC=C(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)O1	REAL300003861997	0	49	0.0	-68.03	392.95	11.11	-56.92
O=C([O-])C=CC1=CC=C(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)O1	REAL300003861997	1	49	0.0	-72.47	393.54	11.17	-61.30
O=C([O-])C1(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC2(CCC2)C1	REAL300003861998	0	55	0.0	-70.31	403.21	11.78	-58.53
O=C([O-])C1(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)CC2(CCC2)C1	REAL300003861998	1	55	0.0	-60.18	402.75	11.86	-48.32
O=C([O-])COC1=CC=C(C(=O)N2C[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300003861999	0	52	0.0	-83.35	401.58	11.27	-72.08
O=C([O-])COC1=CC=C(C(=O)N2C[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@@H]3C2)C=C1	REAL300003861999	1	52	0.0	-82.83	404.67	11.42	-71.41
O=C([O-])CSCCC(=O)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003862000	0	48	0.0	-77.61	385.29	10.68	-66.93
O=C([O-])CSCCC(=O)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300003862000	1	48	0.0	-79.38	386.86	10.74	-68.64
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CCC1C[N@@H+](C)CCCN1C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300003862103	1	44	0.0	-68.96	335.17	8.96	-60.00
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CCC1C[N@@H+](C)CCCN1C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300003862107	1	50	0.0	-80.82	355.12	8.69	-72.13
CCC1C[N@H+](C)CCCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300003862108	0	50	0.0	-75.75	359.70	8.42	-67.33
CCC1C[N@@H+](C)CCCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300003862108	1	50	0.0	-73.09	357.84	7.94	-65.15
CCC1C[N@H+](C)CCCN1C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300003862109	0	51	0.0	-37.15	334.76	10.23	-26.92
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CCC1C[N@@H+](C)CCCN1C(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300003862113	1	46	0.0	-60.93	327.35	9.07	-51.86
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CCC1C[N@H+](C)CCCN1C(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300003862119	0	49	0.0	-74.08	358.43	10.77	-63.31
CCC1C[N@@H+](C)CCCN1C(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300003862119	1	49	0.0	-74.10	358.30	10.75	-63.35
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CCC1C[N@H+](C)CCCN1C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300003862124	0	46	0.0	-83.54	349.83	10.45	-73.09
CCC1C[N@@H+](C)CCCN1C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300003862124	1	46	0.0	-87.18	345.84	9.90	-77.28
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CCC1C[N@H+](C)CCCN1C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300003862126	0	47	0.0	-78.62	350.60	10.78	-67.84
CCC1C[N@@H+](C)CCCN1C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300003862126	1	47	0.0	-78.42	351.55	10.77	-67.65
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CCC1C[N@H+](C)CCCN1C(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300003862131	0	46	0.0	-78.13	345.36	8.50	-69.63
CCC1C[N@@H+](C)CCCN1C(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300003862131	1	46	0.0	-79.78	346.25	9.01	-70.77
CCC1C[N@H+](C)CCCN1C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300003862132	0	48	0.0	-46.18	326.16	7.77	-38.41
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CCC1C[N@@H+](C)CCCN1C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300003862133	1	49	0.0	-80.98	348.62	10.62	-70.36
CCC1C[N@H+](C)CCCN1C(=O)CC1=CC=C(C(=O)[O-])C=C1C	REAL300003862134	0	49	0.0	-85.34	356.92	10.28	-75.06
CCC1C[N@@H+](C)CCCN1C(=O)CC1=CC=C(C(=O)[O-])C=C1C	REAL300003862134	1	49	0.0	-87.22	356.07	10.68	-76.54
CCC1C[N@H+](C)CCCN1C(=O)CC1=CC(C(=O)[O-])=CS1	REAL300003862135	0	43	0.0	-83.31	332.65	8.95	-74.36
CCC1C[N@@H+](C)CCCN1C(=O)CC1=CC(C(=O)[O-])=CS1	REAL300003862135	1	43	0.0	-85.41	333.25	9.43	-75.98
CCC1C[N@H+](C)CCCN1C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300003862136	0	46	0.0	-86.26	345.65	9.83	-76.43
CCC1C[N@@H+](C)CCCN1C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300003862136	1	46	0.0	-87.72	344.97	9.87	-77.85
CCC1C[N@H+](C)CCCN1C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300003862137	0	50	0.0	-68.18	361.19	10.27	-57.91
CCC1C[N@@H+](C)CCCN1C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300003862137	1	50	0.0	-68.39	361.09	10.19	-58.20
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C[NH+](C)CC1(NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CCC1	REAL300003862142	0	48	0.0	-76.49	390.56	4.06	-72.43
C[NH+](C)CC1(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CCC1	REAL300003862143	0	42	0.0	-71.35	339.93	8.26	-63.09
CC1=NN(C2=CC=C(C(=O)NC3(C[NH+](C)C)CCC3)C=C2)C(C)=C1CCC(=O)[O-]	REAL300003862144	0	59	0.0	-77.01	451.46	11.43	-65.58
C[NH+](C)CC1(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)CCC1	REAL300003862145	0	42	0.0	-71.35	339.93	8.26	-63.09
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2(C[NH+](C)C)CCC2)C=C1	REAL300003862146	0	50	0.0	-78.04	386.85	9.23	-68.81
C[NH+](C)CC1(NC(=O)CCC2=CC=CC=C2C(=O)[O-])CCC1	REAL300003862147	0	46	0.0	-71.24	349.45	8.91	-62.33
CC1=CC(C(=O)NC2(C[NH+](C)C)CCC2)=CC(C)=C1OCC(=O)[O-]	REAL300003862148	0	50	0.0	-74.32	387.64	9.63	-64.69
C[NH+](C)CC1(NC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CCC1	REAL300003862149	0	40	0.0	-70.19	331.29	7.94	-62.25
C[NH+](C)CC1(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)CCC1	REAL300003862150	0	42	0.0	-71.95	333.64	6.87	-65.08
C[NH+](C)CC1(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CCC1	REAL300003862151	0	47	0.0	-70.79	361.89	8.04	-62.75
C[NH+](C)CC1(NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)CCC1	REAL300003862152	0	53	0.0	-74.84	388.67	10.22	-64.62
C[NH+](C)CC1(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)CCC1	REAL300003862153	0	44	0.0	-70.55	342.86	7.96	-62.59
C[NH+](C)CC1(NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)CCC1	REAL300003862154	0	44	0.0	-72.51	342.09	8.63	-63.88
C[NH+](C)CC1(NC(=O)COCC2=C(C(=O)[O-])N=CO2)CCC1	REAL300003862155	0	43	0.0	-71.65	344.62	3.34	-68.31
C[NH+](C)CC1(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)CCC1	REAL300003862156	0	46	0.0	-85.12	361.48	7.23	-77.89
C[NH+](C)CC1(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])CCC1	REAL300003862157	0	48	0.0	-69.04	333.55	8.80	-60.24
C[NH+](C)CC1(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)CCC1	REAL300003862158	0	47	0.0	-70.79	361.89	8.04	-62.75
C[NH+](C)CC1(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)CCC1	REAL300003862159	0	47	0.0	-86.46	369.79	9.77	-76.69
C[NH+](C)CC1(NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)CCC1	REAL300003862160	0	40	0.0	-69.58	324.27	8.13	-61.45
COC1=CC(C(=O)[O-])=NC(C(=O)NC2(C[NH+](C)C)CCC2)=C1	REAL300003862161	0	43	0.0	-54.66	339.63	5.24	-49.42
C[NH+](C)CC1(NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)CCC1	REAL300003862162	0	46	0.0	-69.41	355.44	9.25	-60.16
C[NH+](C)CC1(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)CCC1	REAL300003862163	0	44	0.0	-63.73	345.86	8.19	-55.54
C[NH+](C)CC1(NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CCC1	REAL300003862164	0	40	0.0	-73.17	339.54	7.93	-65.24
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2(C[NH+](C)C)CCC2)=C1	REAL300003862165	0	44	0.0	-71.82	349.48	7.28	-64.54
C[NH+](C)CC1(NC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)CCC1	REAL300003862166	0	43	0.0	-74.96	346.94	8.94	-66.02
C[NH+](C)CC1(NC(=O)CCC2=CC=CN=C2C(=O)[O-])CCC1	REAL300003862167	0	45	0.0	-75.11	342.99	6.77	-68.34
C[NH+](C)CC1(NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)CCC1	REAL300003862168	0	44	0.0	-75.41	346.27	8.86	-66.55
C[NH+](C)CC1(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)CCC1	REAL300003862169	0	41	0.0	-61.23	336.94	6.62	-54.61
C[NH+](C)CC1(NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)CCC1	REAL300003862170	0	41	0.0	-73.33	337.14	6.79	-66.54
C[NH+](C)CC1(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)CCC1	REAL300003862171	0	41	0.0	-65.00	326.26	5.48	-59.52
C[NH+](C)CC1(NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)CCC1	REAL300003862172	0	43	0.0	-77.16	342.05	7.03	-70.13
C[NH+](C)CC1(NC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CCC1	REAL300003862173	0	46	0.0	-79.30	345.46	9.41	-69.89
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1(C[NH+](C)C)CCC1	REAL300003862174	0	46	0.0	-81.22	351.39	8.48	-72.74
C[NH+](C)CC1(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)CCC1	REAL300003862175	0	43	0.0	-84.05	339.22	8.04	-76.01
C[NH+](C)CC1(NC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)CCC1	REAL300003862176	0	47	0.0	-63.82	360.78	9.20	-54.62
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])C=C2)[N@H+](C)C1	REAL300003862177	0	44	0.0	-72.55	340.33	7.25	-65.30
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])C=C2)[N@@H+](C)C1	REAL300003862177	1	44	0.0	-78.73	337.12	6.87	-71.86
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=CC(OCC(=O)[O-])=C2)[N@H+](C)C1	REAL300003862178	0	48	0.0	-74.51	366.59	8.21	-66.30
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=CC(OCC(=O)[O-])=C2)[N@@H+](C)C1	REAL300003862178	1	48	0.0	-75.38	366.37	7.02	-68.36
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=CC(C(=O)[O-])=C2)[N@H+](C)C1	REAL300003862179	0	44	0.0	-56.42	335.72	7.81	-48.61
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=CC(C(=O)[O-])=C2)[N@@H+](C)C1	REAL300003862179	1	44	0.0	-68.86	335.99	6.84	-62.02
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])S2)[N@H+](C)C1	REAL300003862180	0	41	0.0	-61.82	327.13	7.02	-54.80
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])S2)[N@@H+](C)C1	REAL300003862180	1	41	0.0	-70.46	328.58	5.85	-64.61
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=CC(C(=O)[O-])=N2)[N@H+](C)C1	REAL300003862181	0	43	0.0	-52.11	333.73	7.06	-45.05
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=CC(C(=O)[O-])=N2)[N@@H+](C)C1	REAL300003862181	1	43	0.0	-66.64	334.11	6.09	-60.55
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=CC=C2SC(C)C(=O)[O-])[N@H+](C)C1	REAL300003862182	0	51	0.0	-78.24	399.45	9.18	-69.06
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=CC=C2SC(C)C(=O)[O-])[N@@H+](C)C1	REAL300003862182	1	51	0.0	-86.60	387.82	8.48	-78.12
CCOC1=CC(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)=CC=C1OCC(=O)[O-]	REAL300003862183	0	55	0.0	-78.13	415.99	7.64	-70.49
CCOC1=CC(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)=CC=C1OCC(=O)[O-]	REAL300003862183	1	55	0.0	-75.90	418.79	8.88	-67.02
CO[C@H]1C[C@@H](CN(C)C(=O)CCC2=CC=C(C(=O)[O-])C=C2)[N@H+](C)C1	REAL300003862184	0	50	0.0	-76.24	391.34	9.25	-66.99
CO[C@H]1C[C@@H](CN(C)C(=O)CCC2=CC=C(C(=O)[O-])C=C2)[N@@H+](C)C1	REAL300003862184	1	50	0.0	-76.66	385.12	8.65	-68.01
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=NC(C(=O)[O-])=C2)[N@H+](C)C1	REAL300003862185	0	43	0.0	-86.87	331.71	6.00	-80.87
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=NC(C(=O)[O-])=C2)[N@@H+](C)C1	REAL300003862185	1	43	0.0	-81.42	333.25	5.04	-76.38
CO[C@H]1C[C@@H](CN(C)C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)[N@H+](C)C1	REAL300003862186	0	48	0.0	-75.50	377.68	9.00	-66.50
CO[C@H]1C[C@@H](CN(C)C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)[N@@H+](C)C1	REAL300003862186	1	48	0.0	-81.71	372.37	8.40	-73.31
CO[C@H]1C[C@@H](CN(C)C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)[N@H+](C)C1	REAL300003862187	0	52	0.0	-71.79	422.73	4.18	-67.61
CO[C@H]1C[C@@H](CN(C)C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)[N@@H+](C)C1	REAL300003862187	1	52	0.0	-79.01	416.82	3.60	-75.41
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)[N@H+](C)C1	REAL300003862188	0	46	0.0	-75.67	363.74	8.40	-67.27
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)[N@@H+](C)C1	REAL300003862188	1	46	0.0	-67.84	367.28	7.51	-60.33
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)[N@H+](C)C1	REAL300003862189	0	46	0.0	-75.67	363.74	8.40	-67.27
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)[N@@H+](C)C1	REAL300003862189	1	46	0.0	-67.84	367.28	7.51	-60.33
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C)C=C2)[N@H+](C)C1	REAL300003862190	0	54	0.0	-79.28	416.45	8.92	-70.36
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(N3N=CC(C(=O)[O-])=C3C)C=C2)[N@@H+](C)C1	REAL300003862190	1	54	0.0	-83.55	410.56	8.40	-75.15
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)[N@H+](C)C1	REAL300003862191	0	51	0.0	-71.09	390.98	8.97	-62.12
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)[N@@H+](C)C1	REAL300003862191	1	51	0.0	-82.02	390.63	7.86	-74.16
CO[C@H]1C[C@@H](CN(C)C(=O)CCC2=CC=CC=C2C(=O)[O-])[N@H+](C)C1	REAL300003862192	0	50	0.0	-54.86	382.13	9.03	-45.83
CO[C@H]1C[C@@H](CN(C)C(=O)CCC2=CC=CC=C2C(=O)[O-])[N@@H+](C)C1	REAL300003862192	1	50	0.0	-73.16	375.44	8.46	-64.70
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)[N@H+](C)C1	REAL300003862193	0	54	0.0	-72.69	411.81	9.76	-62.93
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC(C)=C(OCC(=O)[O-])C(C)=C2)[N@@H+](C)C1	REAL300003862193	1	54	0.0	-74.70	410.34	8.57	-66.13
CO[C@H]1C[C@@H](CN(C)C(=O)CC2=CC=CC(C(=O)[O-])=C2)[N@H+](C)C1	REAL300003862194	0	47	0.0	-80.16	369.10	8.54	-71.62
CO[C@H]1C[C@@H](CN(C)C(=O)CC2=CC=CC(C(=O)[O-])=C2)[N@@H+](C)C1	REAL300003862194	1	47	0.0	-86.39	362.98	7.91	-78.48
CO[C@H]1C[C@@H](CN(C)C(=O)C2CCCC(C(=O)[O-])C2)[N@H+](C)C1	REAL300003862195	0	50	0.0	-80.61	365.34	7.64	-72.97
CO[C@H]1C[C@@H](CN(C)C(=O)C2CCCC(C(=O)[O-])C2)[N@@H+](C)C1	REAL300003862195	1	50	0.0	-86.12	352.70	6.97	-79.15
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])N=C2)[N@H+](C)C1	REAL300003862196	0	43	0.0	-77.39	338.11	5.63	-71.76
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])N=C2)[N@@H+](C)C1	REAL300003862196	1	43	0.0	-74.41	331.64	4.92	-69.49
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])C=N2)[N@H+](C)C1	REAL300003862197	0	43	0.0	-60.90	335.10	7.17	-53.73
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])C=N2)[N@@H+](C)C1	REAL300003862197	1	43	0.0	-65.06	335.76	6.09	-58.97
CO[C@H]1C[C@@H](CN(C)C(=O)CC(C)(C)CC(=O)[O-])[N@H+](C)C1	REAL300003862198	0	49	0.0	-69.31	353.25	7.25	-62.06
CO[C@H]1C[C@@H](CN(C)C(=O)CC(C)(C)CC(=O)[O-])[N@@H+](C)C1	REAL300003862198	1	49	0.0	-76.19	347.64	6.67	-69.52
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])C=C2F)[N@H+](C)C1	REAL300003862199	0	44	0.0	-66.28	350.69	7.56	-58.72
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])C=C2F)[N@@H+](C)C1	REAL300003862199	1	44	0.0	-71.33	340.77	6.82	-64.51
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CN=C(C(=O)[O-])C=N2)[N@H+](C)C1	REAL300003862200	0	42	0.0	-58.91	328.91	5.39	-53.52
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CN=C(C(=O)[O-])C=N2)[N@@H+](C)C1	REAL300003862200	1	42	0.0	-67.68	329.88	4.14	-63.54
CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[N@H+](C)C1	REAL300003862201	0	50	0.0	-64.38	357.33	8.32	-56.06
CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[N@@H+](C)C1	REAL300003862201	1	50	0.0	-77.17	360.00	7.19	-69.98
CO[C@H]1C[C@@H](CN(C)C(=O)C2CCC(C(=O)[O-])CC2)[N@H+](C)C1	REAL300003862202	0	50	0.0	-77.87	359.14	7.65	-70.22
CO[C@H]1C[C@@H](CN(C)C(=O)C2CCC(C(=O)[O-])CC2)[N@@H+](C)C1	REAL300003862202	1	50	0.0	-78.10	359.80	7.15	-70.95
CO[C@H]1C[C@@H](CN(C)C(=O)CC2=CC=C(C(=O)[O-])C=C2)[N@H+](C)C1	REAL300003862203	0	47	0.0	-83.83	368.66	8.51	-75.32
CO[C@H]1C[C@@H](CN(C)C(=O)CC2=CC=C(C(=O)[O-])C=C2)[N@@H+](C)C1	REAL300003862203	1	47	0.0	-87.95	362.98	7.92	-80.03
CO[C@H]1C[C@@H](CN(C)C(=O)CN2C=C(C(=O)[O-])N=N2)[N@H+](C)C1	REAL300003862204	0	43	0.0	-84.01	340.58	4.94	-79.07
CO[C@H]1C[C@@H](CN(C)C(=O)CN2C=C(C(=O)[O-])N=N2)[N@@H+](C)C1	REAL300003862204	1	43	0.0	-79.64	341.20	3.76	-75.88
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])C(C)=N2)[N@H+](C)C1	REAL300003862205	0	46	0.0	-62.12	358.70	7.25	-54.87
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])C(C)=N2)[N@@H+](C)C1	REAL300003862205	1	46	0.0	-71.16	349.27	6.63	-64.53
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)[N@H+](C)C1	REAL300003862206	0	44	0.0	-54.42	364.17	8.05	-46.37
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CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)[N@H+](C)C1	REAL300003862253	0	50	0.0	-62.65	374.40	8.95	-53.70
CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)[N@@H+](C)C1	REAL300003862253	1	50	0.0	-83.05	369.64	8.13	-74.92
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC(C(=O)[O-])=CC=C2C)[N@H+](C)C1	REAL300003862254	0	47	0.0	-66.16	363.34	8.06	-58.10
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC(C(=O)[O-])=CC=C2C)[N@@H+](C)C1	REAL300003862254	1	47	0.0	-70.05	356.29	7.49	-62.56
CO[C@H]1C[C@@H](CN(C)C(=O)C2=C(C(=O)[O-])SC=C2)[N@H+](C)C1	REAL300003862255	0	41	0.0	-76.93	332.54	7.40	-69.53
CO[C@H]1C[C@@H](CN(C)C(=O)C2=C(C(=O)[O-])SC=C2)[N@@H+](C)C1	REAL300003862255	1	41	0.0	-81.50	325.89	6.77	-74.73
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CN=CC(C(=O)[O-])=C2C)[N@H+](C)C1	REAL300003862256	0	46	0.0	-64.72	353.80	6.14	-58.58
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CN=CC(C(=O)[O-])=C2C)[N@@H+](C)C1	REAL300003862256	1	46	0.0	-76.63	346.34	5.50	-71.13
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])C=C2C)[N@H+](C)C1	REAL300003862257	0	47	0.0	-67.96	361.21	8.16	-59.80
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])C=C2C)[N@@H+](C)C1	REAL300003862257	1	47	0.0	-74.03	355.77	7.47	-66.56
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)[N@H+](C)C1	REAL300003862258	0	44	0.0	-71.64	359.84	7.95	-63.69
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)[N@@H+](C)C1	REAL300003862258	1	44	0.0	-70.80	349.00	7.25	-63.55
CO[C@H]1C[C@@H](CN(C)C(=O)C2CC3(CC(C(=O)[O-])C3)C2)[N@H+](C)C1	REAL300003862259	0	51	0.0	-68.72	383.56	8.73	-59.99
CO[C@H]1C[C@@H](CN(C)C(=O)C2CC3(CC(C(=O)[O-])C3)C2)[N@@H+](C)C1	REAL300003862259	1	51	0.0	-78.42	378.59	8.08	-70.34
COC1=CC(C(=O)[O-])=NC(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)=C1	REAL300003862260	0	47	0.0	-51.67	370.27	5.99	-45.68
COC1=CC(C(=O)[O-])=NC(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)=C1	REAL300003862260	1	47	0.0	-65.05	363.54	5.44	-59.61
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])N2C)[N@H+](C)C1	REAL300003862261	0	45	0.0	-72.25	337.90	7.17	-65.08
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C(=O)[O-])N2C)[N@@H+](C)C1	REAL300003862261	1	45	0.0	-80.75	335.58	6.14	-74.61
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(CCC(=O)[O-])C=C2)[N@H+](C)C1	REAL300003862262	0	50	0.0	-72.33	383.91	8.83	-63.50
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(CCC(=O)[O-])C=C2)[N@@H+](C)C1	REAL300003862262	1	50	0.0	-77.31	380.65	8.46	-68.85
CO[C@H]1C[C@@H](CN(C)C(=O)C2=C(C(=O)[O-])C(C)=NN2)[N@H+](C)C1	REAL300003862263	0	44	0.0	-60.96	346.02	4.36	-56.60
CO[C@H]1C[C@@H](CN(C)C(=O)C2=C(C(=O)[O-])C(C)=NN2)[N@@H+](C)C1	REAL300003862263	1	44	0.0	-83.89	329.50	5.09	-78.80
CO[C@H]1C[C@@H](CN(C)C(=O)C2=NNC(C)=C2C(=O)[O-])[N@H+](C)C1	REAL300003862263	1	44	0.0	-70.82	334.03	6.42	-64.40
CO[C@H]1C[C@@H](CN(C)C(=O)C2=NNC(C)=C2C(=O)[O-])[N@@H+](C)C1	REAL300003862263	1	44	0.0	-81.77	334.18	5.34	-76.43
CO[C@H]1C[C@@H](CN(C)C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)[N@H+](C)C1	REAL300003862264	0	48	0.0	-70.66	372.77	8.32	-62.34
CO[C@H]1C[C@@H](CN(C)C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)[N@@H+](C)C1	REAL300003862264	1	48	0.0	-69.91	371.18	7.59	-62.32
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CSC(C(=O)[O-])=N2)[N@H+](C)C1	REAL300003862265	0	40	0.0	-51.41	325.38	5.94	-45.47
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CSC(C(=O)[O-])=N2)[N@@H+](C)C1	REAL300003862265	1	40	0.0	-65.01	325.84	4.94	-60.07
CO[C@H]1C[C@@H](CN(C)C(=O)C2=C(C)SC(C(=O)[O-])=C2)[N@H+](C)C1	REAL300003862266	0	44	0.0	-54.56	344.91	7.84	-46.72
CO[C@H]1C[C@@H](CN(C)C(=O)C2=C(C)SC(C(=O)[O-])=C2)[N@@H+](C)C1	REAL300003862266	1	44	0.0	-66.81	342.82	6.63	-60.18
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)[N@H+](C)C1	REAL300003862267	0	44	0.0	-71.63	369.22	7.96	-63.67
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)[N@@H+](C)C1	REAL300003862267	1	44	0.0	-85.16	363.35	7.31	-77.85
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)=C1	REAL300003862268	0	48	0.0	-64.36	384.61	7.14	-57.22
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)=C1	REAL300003862268	1	48	0.0	-80.25	376.69	6.54	-73.71
CO[C@H]1C[C@@H](CN(C)C(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)[N@H+](C)C1	REAL300003862269	0	47	0.0	-63.72	358.33	8.35	-55.37
CO[C@H]1C[C@@H](CN(C)C(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)[N@@H+](C)C1	REAL300003862269	1	47	0.0	-72.36	362.40	7.46	-64.90
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)[N@H+](C)C1	REAL300003862270	0	47	0.0	-71.74	374.60	8.66	-63.08
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)[N@@H+](C)C1	REAL300003862270	1	47	0.0	-92.09	368.22	8.04	-84.05
CO[C@H]1C[C@@H](CN(C)C(=O)CCC2=CC=CN=C2C(=O)[O-])[N@H+](C)C1	REAL300003862271	0	49	0.0	-73.79	378.10	7.26	-66.53
CO[C@H]1C[C@@H](CN(C)C(=O)CCC2=CC=CN=C2C(=O)[O-])[N@@H+](C)C1	REAL300003862271	1	49	0.0	-67.85	372.03	6.66	-61.19
CO[C@H]1C[C@@H](CN(C)C(=O)C23CC(C(=O)[O-])(C2)CO3)[N@H+](C)C1	REAL300003862272	0	46	0.0	-64.26	345.13	5.91	-58.35
CO[C@H]1C[C@@H](CN(C)C(=O)C23CC(C(=O)[O-])(C2)CO3)[N@@H+](C)C1	REAL300003862272	1	46	0.0	-73.67	346.14	5.12	-68.55
CO[C@H]1C[C@@H](CN(C)C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)[N@H+](C)C1	REAL300003862273	0	48	0.0	-74.93	378.40	9.07	-65.86
CO[C@H]1C[C@@H](CN(C)C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)[N@@H+](C)C1	REAL300003862273	1	48	0.0	-81.81	372.36	8.41	-73.40
CO[C@H]1C[C@@H](CN(C)C(=O)C2(C(=O)[O-])CC3(CCC3)C2)[N@H+](C)C1	REAL300003862274	0	51	0.0	-41.20	364.55	8.47	-32.73
CO[C@H]1C[C@@H](CN(C)C(=O)C2(C(=O)[O-])CC3(CCC3)C2)[N@@H+](C)C1	REAL300003862274	1	51	0.0	-55.75	363.01	7.37	-48.38
CO[C@H]1C[C@@H](CN(C)C(=O)C2=C(C(=O)[O-])C=NN2C)[N@H+](C)C1	REAL300003862275	0	44	0.0	-70.06	347.69	4.97	-65.09
CO[C@H]1C[C@@H](CN(C)C(=O)C2=C(C(=O)[O-])C=NN2C)[N@@H+](C)C1	REAL300003862275	1	44	0.0	-76.29	341.83	4.45	-71.84
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)[N@H+](C)C1	REAL300003862276	0	45	0.0	-59.82	358.85	7.53	-52.29
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)[N@@H+](C)C1	REAL300003862276	1	45	0.0	-71.58	359.30	6.49	-65.09
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)[N@H+](C)C1	REAL300003862277	0	45	0.0	-75.33	359.54	7.66	-67.67
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)[N@@H+](C)C1	REAL300003862277	1	45	0.0	-75.59	358.98	6.48	-69.11
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)[N@H+](C)C1	REAL300003862278	0	45	0.0	-62.65	350.65	6.61	-56.04
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)[N@@H+](C)C1	REAL300003862278	1	45	0.0	-68.91	351.12	5.59	-63.32
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=CC(C(=O)[O-])=C2C)[N@H+](C)C1	REAL300003862279	0	47	0.0	-69.25	353.14	8.46	-60.79
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=CC(C(=O)[O-])=C2C)[N@@H+](C)C1	REAL300003862279	1	47	0.0	-73.72	350.97	7.35	-66.37
CO[C@H]1C[C@@H](CN(C)C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)[N@H+](C)C1	REAL300003862280	0	47	0.0	-76.50	373.59	7.22	-69.28
CO[C@H]1C[C@@H](CN(C)C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)[N@@H+](C)C1	REAL300003862280	1	47	0.0	-77.57	368.72	6.56	-71.01
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC(C(=O)[O-])=CS2)[N@H+](C)C1	REAL300003862281	0	41	0.0	-72.57	331.97	6.44	-66.13
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC(C(=O)[O-])=CS2)[N@@H+](C)C1	REAL300003862281	1	41	0.0	-89.27	326.78	5.77	-83.50
CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])[N@H+](C)C1	REAL300003862282	0	49	0.0	-71.82	362.80	5.95	-65.87
CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])[N@@H+](C)C1	REAL300003862282	1	49	0.0	-61.76	347.82	5.45	-56.31
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)[N@H+](C)C1	REAL300003862283	0	50	0.0	-73.73	383.62	9.53	-64.20
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)[N@@H+](C)C1	REAL300003862283	1	50	0.0	-84.96	376.10	8.96	-76.00
CO[C@H]1C[C@@H](CN(C)C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])[N@H+](C)C1	REAL300003862284	0	50	0.0	-60.57	351.57	7.64	-52.93
CO[C@H]1C[C@@H](CN(C)C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])[N@@H+](C)C1	REAL300003862284	1	50	0.0	-75.44	359.78	7.60	-67.84
CO[C@H]1C[C@@H](CN(C)C(=O)CC2=CC=C(C(=O)[O-])C=C2C)[N@H+](C)C1	REAL300003862285	0	50	0.0	-80.95	386.21	9.07	-71.88
CO[C@H]1C[C@@H](CN(C)C(=O)CC2=CC=C(C(=O)[O-])C=C2C)[N@@H+](C)C1	REAL300003862285	1	50	0.0	-89.65	380.07	8.43	-81.22
CO[C@H]1C[C@@H](CN(C)C(=O)CC2=CC(C(=O)[O-])=CS2)[N@H+](C)C1	REAL300003862286	0	44	0.0	-82.81	354.98	8.13	-74.68
CO[C@H]1C[C@@H](CN(C)C(=O)CC2=CC(C(=O)[O-])=CS2)[N@@H+](C)C1	REAL300003862286	1	44	0.0	-85.90	355.03	7.05	-78.85
CO[C@H]1C[C@@H](CN(C)C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)[N@H+](C)C1	REAL300003862287	0	47	0.0	-78.63	367.66	9.13	-69.50
CO[C@H]1C[C@@H](CN(C)C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)[N@@H+](C)C1	REAL300003862287	1	47	0.0	-81.67	368.14	7.87	-73.80
CO[C@H]1C[C@@H](CN(C)C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)[N@H+](C)C1	REAL300003862288	0	51	0.0	-67.98	384.51	9.37	-58.61
CO[C@H]1C[C@@H](CN(C)C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)[N@@H+](C)C1	REAL300003862288	1	51	0.0	-77.48	382.60	8.26	-69.22
CO[C@H]1C[C@@H](CN(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)[N@H+](C)C1	REAL300003862289	0	54	0.0	-74.89	378.63	8.16	-66.73
CO[C@H]1C[C@@H](CN(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)[N@@H+](C)C1	REAL300003862289	1	54	0.0	-74.64	373.25	7.51	-67.13
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300003862290	0	44	0.0	-76.02	331.76	8.95	-67.07
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300003862291	0	48	0.0	-66.08	357.80	9.47	-56.61
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300003862292	0	44	0.0	-64.43	326.72	9.18	-55.25
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(C(=O)[O-])S1	REAL300003862293	0	41	0.0	-71.71	319.52	8.33	-63.38
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300003862294	0	43	0.0	-60.94	325.27	8.33	-52.61
CCOC1=CC(C(=O)N2CCC([NH+]3CCCC3)C2C)=CC=C1OCC(=O)[O-]	REAL300003862295	0	55	0.0	-80.67	409.34	10.14	-70.53
CC1C([NH+]2CCCC2)CCN1C(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300003862296	0	50	0.0	-78.93	382.57	10.90	-68.03
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300003862297	0	43	0.0	-68.49	323.07	7.42	-61.07
CC1C([NH+]2CCCC2)CCN1C(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300003862298	0	48	0.0	-77.88	374.09	10.84	-67.04
CC1C([NH+]2CCCC2)CCN1C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300003862299	0	52	0.0	-77.57	415.22	5.77	-71.80
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300003862300	0	46	0.0	-62.73	354.87	9.80	-52.93
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300003862301	0	46	0.0	-62.73	354.87	9.80	-52.93
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCC([NH+]3CCCC3)C2C)C=C1	REAL300003862302	0	54	0.0	-79.72	402.19	10.72	-69.00
CC1C([NH+]2CCCC2)CCN1C(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300003862303	0	50	0.0	-72.98	367.98	10.81	-62.17
CC1=CC(C(=O)N2CCC([NH+]3CCCC3)C2C)=CC(C)=C1OCC(=O)[O-]	REAL300003862304	0	54	0.0	-79.79	399.79	10.48	-69.31
CC1C([NH+]2CCCC2)CCN1C(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300003862305	0	47	0.0	-84.95	365.46	10.35	-74.60
CC1C([NH+]2CCCC2)CCN1C(=O)C1CCCC(C(=O)[O-])C1	REAL300003862306	0	50	0.0	-83.73	345.06	9.34	-74.39
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300003862307	0	43	0.0	-75.87	327.71	7.16	-68.71
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300003862308	0	43	0.0	-66.41	330.04	8.13	-58.28
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300003862309	0	44	0.0	-75.15	339.49	9.07	-66.08
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300003862310	0	42	0.0	-69.01	320.32	6.48	-62.53
CC1C([NH+]2CCCC2)CCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300003862311	0	50	0.0	-74.77	351.97	9.52	-65.25
CC1C([NH+]2CCCC2)CCN1C(=O)C1CCC(C(=O)[O-])CC1	REAL300003862312	0	50	0.0	-80.05	355.10	9.43	-70.62
CC1C([NH+]2CCCC2)CCN1C(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300003862313	0	47	0.0	-84.71	365.41	10.36	-74.35
CC1C([NH+]2CCCC2)CCN1C(=O)CN1C=C(C(=O)[O-])N=N1	REAL300003862314	0	43	0.0	-87.91	338.07	6.06	-81.85
CC1=NC(C(=O)N2CCC([NH+]3CCCC3)C2C)=CC=C1C(=O)[O-]	REAL300003862315	0	46	0.0	-66.90	346.26	8.64	-58.26
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300003862316	0	44	0.0	-62.36	347.99	9.73	-52.63
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300003862317	0	44	0.0	-76.02	331.76	8.95	-67.07
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300003862318	0	47	0.0	-77.48	348.90	9.96	-67.52
CC1C([NH+]2CCCC2)CCN1C(=O)C1=C(CC(=O)[O-])OC=C1	REAL300003862319	0	44	0.0	-81.13	336.11	8.04	-73.09
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCC([NH+]2CCCC2)C1C	REAL300003862320	0	47	0.0	-77.59	362.59	8.79	-68.80
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300003862321	0	43	0.0	-75.45	330.27	8.15	-67.30
CC1C([NH+]2CCCC2)CCN1C(=O)CC1CCC(C(=O)[O-])CC1	REAL300003862322	0	53	0.0	-80.21	374.91	10.51	-69.70
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300003862323	0	46	0.0	-88.91	364.19	8.10	-80.81
CC1C([NH+]2CCCC2)CCN1C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300003862324	0	51	0.0	-83.93	383.06	10.27	-73.66
CC1C([NH+]2CCCC2)CCN1C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300003862325	0	57	0.0	-72.14	415.01	12.33	-59.81
CC1=C(C(=O)N2CCC([NH+]3CCCC3)C2C)C=C(C(=O)[O-])O1	REAL300003862326	0	44	0.0	-68.42	327.80	8.45	-59.97
CC1=C(C(=O)[O-])OC(C(=O)N2CCC([NH+]3CCCC3)C2C)=C1	REAL300003862327	0	44	0.0	-64.78	337.36	8.39	-56.39
CC1C([NH+]2CCCC2)CCN1C(=O)CN1C=C(C(=O)[O-])C=N1	REAL300003862328	0	44	0.0	-83.82	343.11	7.51	-76.31
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300003862329	0	45	0.0	-66.53	347.02	9.24	-57.29
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300003862330	0	48	0.0	-75.56	362.76	9.25	-66.31
CC1C([NH+]2CCCC2)CCN1C(=O)CCSCC(=O)[O-]	REAL300003862331	0	44	0.0	-72.38	346.34	8.60	-63.78
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300003862332	0	43	0.0	-66.41	330.04	8.13	-58.28
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC(C(=O)[O-])=NN1C	REAL300003862333	0	44	0.0	-73.75	327.50	6.90	-66.85
CC1C([NH+]2CCCC2)CCN1C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300003862334	0	48	0.0	-82.40	359.04	9.07	-73.33
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300003862335	0	47	0.0	-74.86	354.08	9.76	-65.10
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300003862336	0	48	0.0	-77.29	364.01	10.28	-67.01
CC1C([NH+]2CCCC2)CCN1C(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300003862337	0	45	0.0	-75.74	348.30	8.97	-66.77
CC1C([NH+]2CCCC2)CCN1C(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300003862338	0	47	0.0	-85.23	373.51	5.46	-79.77
CC1C([NH+]2CCCC2)CCN1C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300003862339	0	45	0.0	-71.08	349.81	9.35	-61.73
CC1=CC=C(C(=O)N2CCC([NH+]3CCCC3)C2C)C=C1C(=O)[O-]	REAL300003862340	0	47	0.0	-94.02	337.28	9.46	-84.56
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300003862341	0	43	0.0	-82.14	316.78	7.04	-75.10
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCC([NH+]2CCCC2)C1C	REAL300003862342	0	46	0.0	-64.79	346.23	7.80	-56.99
CC1C([NH+]2CCCC2)CCN1C(=O)CN1C=CC(C(=O)[O-])=N1	REAL300003862343	0	44	0.0	-95.63	342.44	7.55	-88.08
CC1C([NH+]2CCCC2)CCN1C(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300003862344	0	50	0.0	-93.66	379.97	9.11	-84.55
CC1C([NH+]2CCCC2)CCN1C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300003862345	0	51	0.0	-82.75	381.11	9.50	-73.25
CC1C([NH+]2CCCC2)CCN1C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300003862346	0	51	0.0	-73.54	372.83	8.42	-65.12
CC1=C(C(=O)N2CCC([NH+]3CCCC3)C2C)OC(C(=O)[O-])=C1	REAL300003862347	0	44	0.0	-64.49	331.70	8.71	-55.78
CC1C([NH+]2CCCC2)CCN1C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300003862348	0	52	0.0	-70.93	357.48	10.56	-60.37
CC1C([NH+]2CCCC2)CCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300003862349	0	50	0.0	-75.86	339.47	9.98	-65.88
CC1C([NH+]2CCCC2)CCN1C(=O)CN1CCCC(C(=O)[O-])C1	REAL300003862350	1	52	0.0	-73.59	376.20	7.43	-66.16
CC1C([NH+]2CCCC2)CCN1C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300003862351	0	51	0.0	-83.93	383.06	10.27	-73.66
CC1C([NH+]2CCCC2)CCN1C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300003862352	0	51	0.0	-93.84	393.91	11.50	-82.34
CC1C([NH+]2CCCC2)CCN1C(=O)C1CC2(CC2C(=O)[O-])C1	REAL300003862353	0	48	0.0	-81.05	363.31	10.02	-71.03
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCC([NH+]2CCCC2)C1C	REAL300003862354	0	50	0.0	-72.39	371.03	9.72	-62.67
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCC([NH+]2CCCC2)C1C	REAL300003862355	0	47	0.0	-67.19	351.40	9.60	-57.59
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCC([NH+]2CCCC2)C1C	REAL300003862356	0	46	0.0	-73.81	336.40	7.95	-65.86
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCC([NH+]2CCCC2)C1C	REAL300003862357	0	47	0.0	-75.33	351.42	9.60	-65.73
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300003862358	0	44	0.0	-73.69	348.17	9.50	-64.19
CC1C([NH+]2CCCC2)CCN1C(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300003862359	0	51	0.0	-77.09	371.55	10.47	-66.62
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCC([NH+]3CCCC3)C2C)=C1	REAL300003862360	0	47	0.0	-59.65	354.84	7.59	-52.06
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(C(=O)[O-])N1C	REAL300003862361	0	45	0.0	-77.18	334.05	8.26	-68.92
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300003862362	0	50	0.0	-75.36	375.47	10.57	-64.79
CC1C([NH+]2CCCC2)CCN1C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300003862363	0	48	0.0	-65.34	363.54	9.53	-55.81
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CSC(C(=O)[O-])=N1	REAL300003862364	0	40	0.0	-60.05	322.47	6.99	-53.06
CC1=C(C(=O)N2CCC([NH+]3CCCC3)C2C)C=C(C(=O)[O-])S1	REAL300003862365	0	44	0.0	-66.93	343.84	8.87	-58.06
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300003862366	0	44	0.0	-81.17	360.21	9.50	-71.67
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCC([NH+]3CCCC3)C2C)=C1	REAL300003862367	0	48	0.0	-84.94	364.44	8.42	-76.52
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300003862368	0	47	0.0	-88.91	360.36	10.44	-78.47
CC1C([NH+]2CCCC2)CCN1C(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300003862369	0	49	0.0	-75.69	363.27	9.04	-66.65
CC1C([NH+]2CCCC2)CCN1C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300003862370	0	48	0.0	-78.74	365.99	10.36	-68.38
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300003862371	0	45	0.0	-66.75	356.07	8.57	-58.18
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300003862372	0	45	0.0	-77.76	356.28	8.69	-69.07
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300003862373	0	45	0.0	-68.42	347.42	7.71	-60.71
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCC([NH+]2CCCC2)C1C	REAL300003862374	0	47	0.0	-80.97	345.62	9.54	-71.43
CC1C([NH+]2CCCC2)CCN1C(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300003862375	0	47	0.0	-79.92	359.61	8.97	-70.95
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC(C(=O)[O-])=CS1	REAL300003862376	0	41	0.0	-85.36	323.57	7.94	-77.42
CC1C([NH+]2CCCC2)CCN1C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300003862377	0	49	0.0	-67.95	350.00	8.12	-59.83
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300003862378	0	50	0.0	-80.22	371.47	11.06	-69.16
CC(C)[C@]1(C(=O)N2CCC([NH+]3CCCC3)C2C)C[C@H]1C(=O)[O-]	REAL300003862379	0	50	0.0	-61.33	355.45	9.27	-52.06
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCC([NH+]2CCCC2)C1C	REAL300003862380	0	50	0.0	-87.18	371.72	10.75	-76.43
CC1C([NH+]2CCCC2)CCN1C(=O)CC1=CC(C(=O)[O-])=CS1	REAL300003862381	0	44	0.0	-82.39	352.59	9.22	-73.17
CC1C([NH+]2CCCC2)CCN1C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300003862382	0	47	0.0	-88.46	359.65	10.31	-78.15
CC1C([NH+]2CCCC2)CCN1C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300003862383	0	51	0.0	-72.58	379.26	10.46	-62.12
CC1C([NH+](C)C)CCN1C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300003862384	0	44	0.0	-68.94	332.27	8.26	-60.68
CC1C([NH+](C)C)CCN1C(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300003862385	0	52	0.0	-88.51	404.48	6.79	-81.72
CC1C([NH+](C)C)CCN1C(=O)C1=CC=CC=C1SCC1=C(C(=O)[O-])C=CO1	REAL300003862386	0	51	0.0	-82.06	405.24	10.84	-71.22
CC(SC1=CC=CC=C1C(=O)N1CCC([NH+](C)C)C1C)C(=O)[O-]	REAL300003862387	0	47	0.0	-83.98	363.77	9.66	-74.32
CCOC1=CC(C(=O)N2CCC([NH+](C)C)C2C)=CC=C1OCC(=O)[O-]	REAL300003862388	0	51	0.0	-84.51	383.29	8.95	-75.56
CC1C([NH+](C)C)CCN1C(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300003862389	0	46	0.0	-80.66	350.86	9.90	-70.76
CC1C([NH+](C)C)CCN1C(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300003862390	0	44	0.0	-80.92	338.87	9.60	-71.32
CC1C([NH+](C)C)CCN1C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300003862391	0	48	0.0	-79.06	384.02	4.78	-74.28
CC1C([NH+](C)C)CCN1C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300003862392	0	42	0.0	-65.89	327.28	8.11	-57.78
CC1=NN(C2=CC=C(C(=O)N3CCC([NH+](C)C)C3C)C=C2)C(C)=C1CCC(=O)[O-]	REAL300003862393	0	59	0.0	-83.28	445.01	11.55	-71.73
CC1C([NH+](C)C)CCN1C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300003862394	0	42	0.0	-65.89	327.28	8.11	-57.78
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCC([NH+](C)C)C2C)C=C1	REAL300003862395	0	50	0.0	-83.26	381.10	9.48	-73.78
CC1C([NH+](C)C)CCN1C(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300003862396	0	47	0.0	-80.15	357.69	9.04	-71.11
CC1C([NH+](C)C)CCN1C(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300003862397	0	46	0.0	-75.35	342.47	9.18	-66.17
CC1=CC(C(=O)N2CCC([NH+](C)C)C2C)=CC(C)=C1OCC(=O)[O-]	REAL300003862398	0	50	0.0	-80.38	376.31	9.72	-70.66
CC1C([NH+](C)C)CCN1C(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300003862399	0	40	0.0	-65.47	320.40	8.04	-57.43
CC1C([NH+](C)C)CCN1C(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-]	REAL300003862400	0	50	0.0	-83.45	367.05	11.87	-71.58
CC1C([NH+](C)C)CCN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300003862401	0	50	0.0	-79.47	339.46	8.71	-70.76
CC1C([NH+](C)C)CCN1C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300003862402	0	42	0.0	-92.52	338.00	6.96	-85.56
CC1C([NH+](C)C)CCN1C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300003862403	0	47	0.0	-82.51	365.06	8.62	-73.89
CC1C([NH+](C)C)CCN1C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300003862404	0	53	0.0	-76.73	387.59	11.13	-65.60
CC1C([NH+](C)C)CCN1C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300003862405	0	44	0.0	-79.19	329.57	7.69	-71.50
CC1C([NH+](C)C)CCN1C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300003862406	0	49	0.0	-85.06	376.69	8.73	-76.33
CC1C([NH+](C)C)CCN1C(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300003862407	0	44	0.0	-81.63	327.78	9.05	-72.58
CC1C([NH+](C)C)CCN1C(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300003862408	0	46	0.0	-76.82	345.43	9.31	-67.51
CC1C([NH+](C)C)CCN1C(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300003862409	0	43	0.0	-88.33	342.06	3.98	-84.35
CC1C([NH+](C)C)CCN1C(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300003862410	0	46	0.0	-93.00	363.73	8.02	-84.98
CC1C([NH+](C)C)CCN1C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300003862411	0	48	0.0	-74.80	327.71	9.59	-65.21
CC1C([NH+](C)C)CCN1C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300003862412	0	47	0.0	-59.22	339.17	9.62	-49.60
CC1C([NH+](C)C)CCN1C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300003862413	0	47	0.0	-82.51	365.06	8.62	-73.89
CC1C([NH+](C)C)CCN1C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300003862414	0	47	0.0	-96.84	363.08	10.05	-86.79
CC1C([NH+](C)C)CCN1C(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300003862415	0	40	0.0	-75.74	320.64	8.31	-67.43
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCC([NH+](C)C)C2C)=C1	REAL300003862416	0	43	0.0	-62.71	328.92	6.40	-56.31
CC1C([NH+](C)C)CCN1C(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300003862417	0	46	0.0	-78.67	342.66	9.02	-69.65
CC1C([NH+](C)C)CCN1C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300003862418	0	44	0.0	-67.31	338.79	8.89	-58.42
CC1C([NH+](C)C)CCN1C(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300003862419	0	40	0.0	-83.00	328.92	8.49	-74.51
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCC([NH+](C)C)C2C)=C1	REAL300003862420	0	44	0.0	-79.09	342.19	7.65	-71.44
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CCC([NH+](C)C)C1C	REAL300003862421	0	43	0.0	-72.09	332.87	8.35	-63.74
CC1C([NH+](C)C)CCN1C(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300003862422	0	43	0.0	-91.32	339.74	9.06	-82.26
CC1C([NH+](C)C)CCN1C(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300003862423	0	45	0.0	-79.24	338.35	7.42	-71.82
CC1C([NH+](C)C)CCN1C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300003862424	0	44	0.0	-79.76	347.43	9.64	-70.12
CC1C([NH+](C)C)CCN1C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300003862425	0	41	0.0	-69.56	330.00	7.36	-62.20
CC1C([NH+](C)C)CCN1C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300003862426	0	41	0.0	-79.93	330.20	7.48	-72.45
CC1C([NH+](C)C)CCN1C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300003862427	0	41	0.0	-71.12	321.35	6.50	-64.62
CC1C([NH+](C)C)CCN1C(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300003862428	0	43	0.0	-80.91	343.17	7.87	-73.04
CC1C([NH+](C)C)CCN1C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300003862429	0	46	0.0	-82.42	344.78	9.89	-72.53
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCC([NH+](C)C)C1C	REAL300003862430	0	46	0.0	-89.68	346.44	9.10	-80.58
CC1C([NH+](C)C)CCN1C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300003862431	0	43	0.0	-90.89	334.28	8.67	-82.22
CC1C([NH+](C)C)CCN1C(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300003862432	0	47	0.0	-75.05	349.23	9.42	-65.63
CC1C([NH+](C)C)CCN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300003862433	0	50	0.0	-79.47	339.46	8.71	-70.76
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)N2CC[N@@H+]3CCC2C3)O1	REAL300003862434	0	47	0.0	-78.61	371.56	5.59	-73.02
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)N2CC[N@H+]3CCC2C3)O1	REAL300003862434	1	47	0.0	-70.29	376.07	5.16	-65.13
O=C([O-])C1=C(CSC2=CC=CC=C2C(=O)N2CC[N@@H+]3CCC2C3)OC=C1	REAL300003862435	1	46	0.0	-76.32	369.39	9.87	-66.45
O=C([O-])C1=C(CSC2=CC=CC=C2C(=O)N2CC[N@H+]3CCC2C3)OC=C1	REAL300003862435	1	46	0.0	-88.59	368.96	9.84	-78.75
CC(SC1=CC=CC=C1C(=O)N1CC[N@@H+]2CCC1C2)C(=O)[O-]	REAL300003862436	1	42	0.0	-77.43	326.26	8.59	-68.84
CC(SC1=CC=CC=C1C(=O)N1CC[N@H+]2CCC1C2)C(=O)[O-]	REAL300003862436	1	42	0.0	-80.02	326.35	8.61	-71.41
CCOC1=CC(C(=O)N2CC[N@@H+]3CCC2C3)=CC=C1OCC(=O)[O-]	REAL300003862437	0	46	0.0	-82.99	352.56	7.82	-75.17
CCOC1=CC(C(=O)N2CC[N@H+]3CCC2C3)=CC=C1OCC(=O)[O-]	REAL300003862437	1	46	0.0	-81.69	352.44	7.81	-73.88
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)N2CC[N@@H+]3CCC2C3)C=C1	REAL300003862438	0	43	0.0	-80.18	349.59	3.55	-76.63
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)N2CC[N@H+]3CCC2C3)C=C1	REAL300003862438	1	43	0.0	-78.38	349.41	3.54	-74.84
O=C([O-])C1=CC(C(=O)N2CC[N@@H+]3CCC2C3)=CC([N+](=O)[O-])=C1	REAL300003862439	0	37	0.0	-64.40	298.55	7.50	-56.90
O=C([O-])C1=CC(C(=O)N2CC[N@H+]3CCC2C3)=CC([N+](=O)[O-])=C1	REAL300003862439	1	37	0.0	-63.49	297.52	7.46	-56.03
CC1=NN(C2=CC=C(C(=O)N3CC[N@@H+]4CCC3C4)C=C2)C(C)=C1CCC(=O)[O-]	REAL300003862440	0	54	0.0	-80.63	408.21	10.41	-70.22
CC1=NN(C2=CC=C(C(=O)N3CC[N@H+]4CCC3C4)C=C2)C(C)=C1CCC(=O)[O-]	REAL300003862440	1	54	0.0	-83.52	410.25	10.48	-73.04
O=C([O-])C1=CC(C(=O)N2CC[N@@H+]3CCC2C3)=CC([N+](=O)[O-])=C1	REAL300003862441	0	37	0.0	-64.40	298.55	7.50	-56.90
O=C([O-])C1=CC(C(=O)N2CC[N@H+]3CCC2C3)=CC([N+](=O)[O-])=C1	REAL300003862441	1	37	0.0	-63.49	297.52	7.46	-56.03
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CC[N@@H+]3CCC2C3)C=C1	REAL300003862442	0	45	0.0	-83.47	344.31	8.34	-75.13
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CC[N@H+]3CCC2C3)C=C1	REAL300003862442	1	45	0.0	-83.08	344.09	8.33	-74.75
O=C([O-])C1=C(C(F)(F)F)N(C2=CC=C(C(=O)N3CC[N@@H+]4CCC3C4)C=C2)N=C1	REAL300003862443	0	45	0.0	-75.53	355.95	8.49	-67.04
O=C([O-])C1=C(C(F)(F)F)N(C2=CC=C(C(=O)N3CC[N@H+]4CCC3C4)C=C2)N=C1	REAL300003862443	1	45	0.0	-76.74	355.73	8.48	-68.26
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)N3CC[N@@H+]4CCC3C4)CC2)O1	REAL300003862444	0	50	0.0	-94.37	394.00	5.29	-89.08
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)N3CC[N@H+]4CCC3C4)CC2)O1	REAL300003862444	1	50	0.0	-88.81	392.96	5.31	-83.50
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)N2CC[N@@H+]3CCC2C3)=C1	REAL300003862445	0	42	0.0	-75.35	325.06	7.95	-67.40
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)N2CC[N@H+]3CCC2C3)=C1	REAL300003862445	1	42	0.0	-77.64	325.52	7.83	-69.81
CC1=CC(C(=O)N2CC[N@@H+]3CCC2C3)=CC(C)=C1OCC(=O)[O-]	REAL300003862446	0	45	0.0	-80.99	341.21	8.46	-72.53
CC1=CC(C(=O)N2CC[N@H+]3CCC2C3)=CC(C)=C1OCC(=O)[O-]	REAL300003862446	1	45	0.0	-79.37	344.54	8.62	-70.75
O=C([O-])C1=CC(Br)=CC(C(=O)N2CC[N@@H+]3CCC2C3)=C1	REAL300003862447	0	35	0.0	-81.93	289.71	7.33	-74.60
O=C([O-])C1=CC(Br)=CC(C(=O)N2CC[N@H+]3CCC2C3)=C1	REAL300003862447	1	35	0.0	-63.63	291.63	7.43	-56.20
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)N1CC[N@@H+]2CCC1C2	REAL300003862448	0	45	0.0	-68.37	334.97	9.77	-58.60
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)N1CC[N@H+]2CCC1C2	REAL300003862448	1	45	0.0	-66.22	336.08	9.88	-56.34
O=C([O-])C1=C2N=CC=C(C(=O)N3CC[N@@H+]4CCC3C4)N2N=C1	REAL300003862449	0	37	0.0	-90.27	299.13	5.84	-84.43
O=C([O-])C1=C2N=CC=C(C(=O)N3CC[N@H+]4CCC3C4)N2N=C1	REAL300003862449	1	37	0.0	-91.02	299.15	5.84	-85.18
O=C([O-])CC1=C(C(=O)N2CC[N@@H+]3CCC2C3)NC2=CC=CC=C21	REAL300003862450	0	42	0.0	-81.19	327.37	7.54	-73.65
O=C([O-])CC1=C(C(=O)N2CC[N@H+]3CCC2C3)NC2=CC=CC=C21	REAL300003862450	1	42	0.0	-75.74	325.28	7.46	-68.28
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CC[N@@H+]4CCC3C4)C2=C1	REAL300003862451	0	48	0.0	-71.47	349.59	10.10	-61.37
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CC[N@H+]4CCC3C4)C2=C1	REAL300003862451	1	48	0.0	-74.90	349.36	10.11	-64.79
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)N2CC[N@@H+]3CCC2C3)C1	REAL300003862452	0	44	0.0	-83.94	337.81	7.64	-76.30
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)N2CC[N@H+]3CCC2C3)C1	REAL300003862452	1	44	0.0	-83.91	337.70	7.68	-76.23
O=C([O-])C1(C(=O)N2CC[N@@H+]3CCC2C3)CC1C1=CC=CC=C1	REAL300003862453	0	42	0.0	-66.06	317.23	8.69	-57.37
O=C([O-])C1(C(=O)N2CC[N@H+]3CCC2C3)CC1C1=CC=CC=C1	REAL300003862453	1	42	0.0	-77.11	317.59	8.70	-68.41
O=C([O-])CC1=C(C(=O)N2CC[N@@H+]3CCC2C3)NC2=CC=CC=C21	REAL300003862454	0	42	0.0	-81.19	327.37	7.54	-73.65
O=C([O-])CC1=C(C(=O)N2CC[N@H+]3CCC2C3)NC2=CC=CC=C21	REAL300003862454	1	42	0.0	-75.74	325.28	7.46	-68.28
O=C([O-])C1=CN(CC(=O)N2CC[N@@H+]3CCC2C3)C2=CC=CC=C12	REAL300003862455	0	42	0.0	-100.48	328.74	9.27	-91.21
O=C([O-])C1=CN(CC(=O)N2CC[N@H+]3CCC2C3)C2=CC=CC=C12	REAL300003862455	1	42	0.0	-97.85	328.72	9.29	-88.56
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CC[N@@H+]3CCC1C3)C2	REAL300003862456	0	39	0.0	-87.50	303.91	7.63	-79.87
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CC[N@H+]3CCC1C3)C2	REAL300003862456	1	39	0.0	-66.70	304.40	7.67	-59.03
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CC[N@@H+]3CCC1C3)=C2	REAL300003862457	0	35	0.0	-82.67	297.15	7.32	-75.35
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CC[N@H+]3CCC1C3)=C2	REAL300003862457	1	35	0.0	-82.74	297.30	7.35	-75.39
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC[N@@H+]3CCC2C3)=C1	REAL300003862458	0	39	0.0	-80.76	310.69	6.47	-74.29
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CC[N@H+]3CCC2C3)=C1	REAL300003862458	1	39	0.0	-81.02	310.53	6.49	-74.53
O=C([O-])C1=C2C=C(C(=O)N3CC[N@@H+]4CCC3C4)SC2=CC=C1	REAL300003862459	0	38	0.0	-91.96	302.46	8.01	-83.95
O=C([O-])C1=C2C=C(C(=O)N3CC[N@H+]4CCC3C4)SC2=CC=C1	REAL300003862459	1	38	0.0	-89.57	303.30	8.10	-81.47
O=C([O-])C1=CSC2=C1NC(C(=O)N1CC[N@@H+]3CCC1C3)=C2	REAL300003862460	0	36	0.0	-66.21	292.49	6.39	-59.82
O=C([O-])C1=CSC2=C1NC(C(=O)N1CC[N@H+]3CCC1C3)=C2	REAL300003862460	1	36	0.0	-66.26	292.47	6.40	-59.86
O=C([O-])C1=CC2=C(C=C(C(=O)N3CC[N@@H+]4CCC3C4)N2)S1	REAL300003862461	0	36	0.0	-80.08	292.73	6.50	-73.58
O=C([O-])C1=CC2=C(C=C(C(=O)N3CC[N@H+]4CCC3C4)N2)S1	REAL300003862461	1	36	0.0	-79.32	292.70	6.51	-72.81
O=C([O-])C1=CC=CC2=C(C(=O)N3CC[N@@H+]4CCC3C4)C=CC=C12	REAL300003862462	0	41	0.0	-80.81	310.70	8.94	-71.87
O=C([O-])C1=CC=CC2=C(C(=O)N3CC[N@H+]4CCC3C4)C=CC=C12	REAL300003862462	1	41	0.0	-80.73	310.58	8.95	-71.78
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CC[N@@H+]3CCC2C3)S1	REAL300003862463	0	42	0.0	-70.83	319.77	8.39	-62.44
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CC[N@H+]3CCC2C3)S1	REAL300003862463	1	42	0.0	-70.85	318.19	8.39	-62.46
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300003862464	0	44	0.0	-74.02	331.24	8.95	-65.07
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300003862464	1	44	0.0	-74.24	330.93	9.14	-65.10
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC(OCC(=O)[O-])=C1)C2	REAL300003862465	0	48	0.0	-68.13	362.02	9.19	-58.94
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC(OCC(=O)[O-])=C1)C2	REAL300003862465	1	48	0.0	-74.89	362.39	9.24	-65.65
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC(C(=O)[O-])=C1)C2	REAL300003862466	0	44	0.0	-73.56	330.26	8.89	-64.67
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC(C(=O)[O-])=C1)C2	REAL300003862466	1	44	0.0	-78.49	330.98	8.90	-69.59
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])S1)C2	REAL300003862467	0	41	0.0	-68.41	322.47	8.05	-60.36
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])S1)C2	REAL300003862467	1	41	0.0	-72.09	323.53	8.31	-63.78
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC(C(=O)[O-])=N1)C2	REAL300003862468	0	43	0.0	-64.20	326.22	7.97	-56.23
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC(C(=O)[O-])=N1)C2	REAL300003862468	1	43	0.0	-63.53	327.62	8.19	-55.34
CC(SC1=CC=CC=C1C(=O)N1CCCC2(CC[N@H+](C)C2)C1)C(=O)[O-]	REAL300003862469	0	51	0.0	-72.39	385.42	10.63	-61.76
CC(SC1=CC=CC=C1C(=O)N1CCCC2(CC[N@@H+](C)C2)C1)C(=O)[O-]	REAL300003862469	1	51	0.0	-64.80	386.93	10.66	-54.14
CCOC1=CC(C(=O)N2CCCC3(CC[N@H+](C)C3)C2)=CC=C1OCC(=O)[O-]	REAL300003862470	0	55	0.0	-74.71	414.23	9.90	-64.81
CCOC1=CC(C(=O)N2CCCC3(CC[N@@H+](C)C3)C2)=CC=C1OCC(=O)[O-]	REAL300003862470	1	55	0.0	-74.07	414.42	10.09	-63.98
C[N@@H+]1CCC2(C1)CCCN(C(=O)CCC1=CC=C(C(=O)[O-])C=C1)C2	REAL300003862471	0	50	0.0	-77.65	376.81	10.75	-66.90
C[N@H+]1CCC2(C1)CCCN(C(=O)CCC1=CC=C(C(=O)[O-])C=C1)C2	REAL300003862471	1	50	0.0	-77.78	378.16	11.01	-66.77
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=NC(C(=O)[O-])=C1)C2	REAL300003862472	0	43	0.0	-70.55	328.04	7.35	-63.20
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=NC(C(=O)[O-])=C1)C2	REAL300003862472	1	43	0.0	-64.93	326.41	7.13	-57.80
C[N@@H+]1CCC2(C1)CCCN(C(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300003862473	0	48	0.0	-76.66	364.48	10.43	-66.23
C[N@H+]1CCC2(C1)CCCN(C(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300003862473	1	48	0.0	-78.11	365.37	10.46	-67.65
C[N@@H+]1CCC2(C1)CCCN(C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300003862474	0	52	0.0	-74.54	409.49	5.61	-68.93
C[N@H+]1CCC2(C1)CCCN(C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300003862474	1	52	0.0	-75.67	410.56	5.61	-70.06
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300003862475	0	46	0.0	-63.12	358.07	9.54	-53.58
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300003862475	1	46	0.0	-67.56	360.62	9.62	-57.94
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300003862476	0	46	0.0	-63.12	358.07	9.54	-53.58
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C2	REAL300003862476	1	46	0.0	-67.56	360.62	9.62	-57.94
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCC3(CC[N@@H+](C)C3)C2)C=C1	REAL300003862477	0	54	0.0	-77.72	406.22	10.50	-67.22
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCC3(CC[N@H+](C)C3)C2)C=C1	REAL300003862477	1	54	0.0	-77.95	405.93	10.70	-67.25
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C2	REAL300003862478	0	51	0.0	-79.37	387.17	9.90	-69.47
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C2	REAL300003862478	1	51	0.0	-79.46	385.34	10.06	-69.40
C[N@@H+]1CCC2(C1)CCCN(C(=O)CCC1=CC=CC=C1C(=O)[O-])C2	REAL300003862479	0	50	0.0	-60.94	368.17	10.50	-50.44
C[N@H+]1CCC2(C1)CCCN(C(=O)CCC1=CC=CC=C1C(=O)[O-])C2	REAL300003862479	1	50	0.0	-69.09	369.25	10.51	-58.58
CC1=CC(C(=O)N2CCCC3(CC[N@@H+](C)C3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300003862480	0	54	0.0	-74.78	405.84	10.73	-64.05
CC1=CC(C(=O)N2CCCC3(CC[N@H+](C)C3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300003862480	1	54	0.0	-74.77	407.50	10.78	-63.99
C[N@@H+]1CCC2(C1)CCCN(C(=O)CC1=CC=CC(C(=O)[O-])=C1)C2	REAL300003862481	0	47	0.0	-77.57	355.42	9.93	-67.64
C[N@H+]1CCC2(C1)CCCN(C(=O)CC1=CC=CC(C(=O)[O-])=C1)C2	REAL300003862481	1	47	0.0	-77.51	356.78	10.19	-67.32
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1CCCC(C(=O)[O-])C1)C2	REAL300003862482	0	50	0.0	-69.21	355.71	9.35	-59.86
C[N@H+]1CCC2(C1)CCCN(C(=O)C1CCCC(C(=O)[O-])C1)C2	REAL300003862482	1	50	0.0	-91.27	347.48	9.32	-81.95
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])N=C1)C2	REAL300003862483	0	43	0.0	-66.37	327.20	7.05	-59.32
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])N=C1)C2	REAL300003862483	1	43	0.0	-77.58	328.19	7.19	-70.39
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C2	REAL300003862484	0	43	0.0	-54.97	326.94	8.20	-46.77
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C2	REAL300003862484	1	43	0.0	-54.17	327.37	8.16	-46.01
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])C=C1F)C2	REAL300003862485	0	44	0.0	-64.18	337.59	8.98	-55.20
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])C=C1F)C2	REAL300003862485	1	44	0.0	-72.97	336.24	9.20	-63.77
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CN=C(C(=O)[O-])C=N1)C2	REAL300003862486	0	42	0.0	-56.82	322.86	6.30	-50.52
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CN=C(C(=O)[O-])C=N1)C2	REAL300003862486	1	42	0.0	-61.75	322.27	6.10	-55.65
C[N@@H+]1CCC2(C1)CCCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C2	REAL300003862487	0	50	0.0	-68.39	358.07	9.55	-58.84
C[N@H+]1CCC2(C1)CCCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C2	REAL300003862487	1	50	0.0	-69.97	357.81	9.36	-60.61
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1CCC(C(=O)[O-])CC1)C2	REAL300003862488	0	50	0.0	-76.97	345.86	9.06	-67.91
C[N@H+]1CCC2(C1)CCCN(C(=O)C1CCC(C(=O)[O-])CC1)C2	REAL300003862488	1	50	0.0	-73.21	357.74	9.60	-63.61
C[N@@H+]1CCC2(C1)CCCN(C(=O)CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300003862489	0	47	0.0	-80.41	355.69	9.94	-70.47
C[N@H+]1CCC2(C1)CCCN(C(=O)CC1=CC=C(C(=O)[O-])C=C1)C2	REAL300003862489	1	47	0.0	-82.81	356.63	9.95	-72.86
C[N@@H+]1CCC2(C1)CCCN(C(=O)CN1C=C(C(=O)[O-])N=N1)C2	REAL300003862490	0	43	0.0	-77.43	334.24	6.08	-71.35
C[N@H+]1CCC2(C1)CCCN(C(=O)CN1C=C(C(=O)[O-])N=N1)C2	REAL300003862490	1	43	0.0	-82.72	332.68	5.90	-76.82
CC1=NC(C(=O)N2CCCC3(CC[N@@H+](C)C3)C2)=CC=C1C(=O)[O-]	REAL300003862491	0	46	0.0	-58.92	342.44	8.43	-50.49
CC1=NC(C(=O)N2CCCC3(CC[N@H+](C)C3)C2)=CC=C1C(=O)[O-]	REAL300003862491	1	46	0.0	-59.85	335.94	8.69	-51.16
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C2	REAL300003862492	0	44	0.0	-71.95	352.52	9.54	-62.41
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C2	REAL300003862492	1	44	0.0	-75.06	352.09	9.50	-65.56
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300003862493	0	44	0.0	-74.02	331.24	8.95	-65.07
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])C=C1)C2	REAL300003862493	1	44	0.0	-74.24	330.93	9.14	-65.10
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC(CC(=O)[O-])=C1)C2	REAL300003862494	0	47	0.0	-65.24	353.14	9.68	-55.56
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC(CC(=O)[O-])=C1)C2	REAL300003862494	1	47	0.0	-71.92	353.47	9.68	-62.24
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])C2	REAL300003862495	0	54	0.0	-88.47	398.16	12.72	-75.75
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])C2	REAL300003862495	1	54	0.0	-57.99	392.36	11.77	-46.22
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=C(CC(=O)[O-])OC=C1)C2	REAL300003862496	0	44	0.0	-72.76	333.86	7.95	-64.81
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=C(CC(=O)[O-])OC=C1)C2	REAL300003862496	1	44	0.0	-76.87	334.29	8.20	-68.67
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCC2(CC[N@@H+](C)C2)C1	REAL300003862497	0	47	0.0	-68.35	356.53	8.62	-59.73
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCC2(CC[N@H+](C)C2)C1	REAL300003862497	1	47	0.0	-75.71	361.76	8.78	-66.93
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC(C(=O)[O-])=CC=N1)C2	REAL300003862498	0	43	0.0	-69.71	326.16	7.96	-61.75
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC(C(=O)[O-])=CC=N1)C2	REAL300003862498	1	43	0.0	-76.34	327.16	8.23	-68.11
C[N@@H+]1CCC2(C1)CCCN(C(=O)CC1CCC(C(=O)[O-])CC1)C2	REAL300003862499	0	53	0.0	-67.33	367.20	9.94	-57.39
C[N@H+]1CCC2(C1)CCCN(C(=O)CC1CCC(C(=O)[O-])CC1)C2	REAL300003862499	1	53	0.0	-76.59	376.90	10.48	-66.11
C[N@@H+]1CCC2(C1)CCCN(C(=O)C13CCC(C(=O)[O-])(CC1)C3)C2	REAL300003862500	0	51	0.0	-79.92	357.05	9.35	-70.57
C[N@H+]1CCC2(C1)CCCN(C(=O)C13CCC(C(=O)[O-])(CC1)C3)C2	REAL300003862500	1	51	0.0	-81.33	358.43	9.38	-71.95
C[N@@H+]1CCC2(C1)CCCN(C(=O)C13CCC(C(=O)[O-])(CC1)CC3)C2	REAL300003862501	0	54	0.0	-75.59	365.79	9.59	-66.00
C[N@H+]1CCC2(C1)CCCN(C(=O)C13CCC(C(=O)[O-])(CC1)CC3)C2	REAL300003862501	1	54	0.0	-74.82	365.93	9.58	-65.24
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=NC3=C(C(=O)[O-])C=NN31)C2	REAL300003862502	0	46	0.0	-92.61	358.67	7.93	-84.68
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=NC3=C(C(=O)[O-])C=NN31)C2	REAL300003862502	1	46	0.0	-91.01	359.81	8.18	-82.83
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)C2	REAL300003862503	0	51	0.0	-81.69	387.61	9.61	-72.08
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)C2	REAL300003862503	1	51	0.0	-81.67	384.56	10.33	-71.34
C[N@@H+]1CCC2(C1)CCCN(C(=O)CC1CCCC3=CC=C(C(=O)[O-])C=C31)C2	REAL300003862504	0	57	0.0	-74.82	410.34	12.18	-62.64
C[N@H+]1CCC2(C1)CCCN(C(=O)CC1CCCC3=CC=C(C(=O)[O-])C=C31)C2	REAL300003862504	1	57	0.0	-73.46	411.23	12.39	-61.07
CC1=C(C(=O)N2CCCC3(CC[N@@H+](C)C3)C2)C=C(C(=O)[O-])O1	REAL300003862505	0	44	0.0	-68.54	336.63	8.37	-60.17
CC1=C(C(=O)N2CCCC3(CC[N@H+](C)C3)C2)C=C(C(=O)[O-])O1	REAL300003862505	1	44	0.0	-73.63	334.67	8.23	-65.40
CC1=C(C(=O)[O-])OC(C(=O)N2CCCC3(CC[N@@H+](C)C3)C2)=C1	REAL300003862506	0	44	0.0	-61.94	333.68	8.32	-53.62
CC1=C(C(=O)[O-])OC(C(=O)N2CCCC3(CC[N@H+](C)C3)C2)=C1	REAL300003862506	1	44	0.0	-45.16	333.64	8.33	-36.83
C[N@@H+]1CCC2(C1)CCCN(C(=O)CN1C=C(C(=O)[O-])C=N1)C2	REAL300003862507	0	44	0.0	-73.54	339.14	7.56	-65.98
C[N@H+]1CCC2(C1)CCCN(C(=O)CN1C=C(C(=O)[O-])C=N1)C2	REAL300003862507	1	44	0.0	-79.21	337.57	7.39	-71.82
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C=CC(=O)[O-])O1)C2	REAL300003862508	0	45	0.0	-57.25	347.45	8.87	-48.38
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C=CC(=O)[O-])O1)C2	REAL300003862508	1	45	0.0	-52.16	348.83	8.94	-43.22
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300003862509	0	51	0.0	-65.90	357.66	9.77	-56.13
C[N@H+]1CCC2(C1)CCCN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300003862509	1	51	0.0	-54.77	362.73	9.60	-45.17
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)C2	REAL300003862510	0	48	0.0	-69.86	361.93	9.21	-60.65
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(OCC(=O)[O-])C=C1)C2	REAL300003862510	1	48	0.0	-73.29	361.94	9.43	-63.86
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C2	REAL300003862511	0	53	0.0	-78.48	398.58	9.96	-68.52
C[N@H+]1CCC2(C1)CCCN(C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C2	REAL300003862511	1	53	0.0	-72.41	398.89	9.74	-62.67
C[N@@H+]1CCC2(C1)CCCN(C(=O)CCSCC(=O)[O-])C2	REAL300003862512	0	44	0.0	-70.55	340.57	8.46	-62.09
C[N@H+]1CCC2(C1)CCCN(C(=O)CCSCC(=O)[O-])C2	REAL300003862512	1	44	0.0	-69.63	341.73	8.48	-61.15
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C2	REAL300003862513	0	43	0.0	-54.97	326.94	8.20	-46.77
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])C=N1)C2	REAL300003862513	1	43	0.0	-54.17	327.37	8.16	-46.01
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCC2(CC[N@H+](C)C2)C1	REAL300003862514	0	44	0.0	-75.77	330.39	6.61	-69.16
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCC2(CC[N@@H+](C)C2)C1	REAL300003862514	1	44	0.0	-73.38	331.95	6.61	-66.77
C[C@@H]1C[C@H](C(=O)N2CCCC3(CC[N@H+](C)C3)C2)O[C@H]1C(=O)[O-]	REAL300003862515	0	48	0.0	-74.18	350.86	8.65	-65.53
C[C@@H]1C[C@H](C(=O)N2CCCC3(CC[N@@H+](C)C3)C2)O[C@H]1C(=O)[O-]	REAL300003862515	1	48	0.0	-78.74	350.24	8.84	-69.90
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(CC(=O)[O-])C=C1)C2	REAL300003862516	0	47	0.0	-72.99	353.39	9.73	-63.26
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(CC(=O)[O-])C=C1)C2	REAL300003862516	1	47	0.0	-69.42	353.88	9.70	-59.72
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C2	REAL300003862517	0	48	0.0	-71.62	363.46	10.22	-61.40
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C2	REAL300003862517	1	48	0.0	-75.49	363.03	10.43	-65.06
C[N@@H+]1CCC2(C1)CCCN(C(=O)C=CC1=CC(C(=O)[O-])=CO1)C2	REAL300003862518	0	45	0.0	-73.48	349.01	8.67	-64.81
C[N@H+]1CCC2(C1)CCCN(C(=O)C=CC1=CC(C(=O)[O-])=CO1)C2	REAL300003862518	1	45	0.0	-77.50	350.05	8.95	-68.55
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC=C1CCC(=O)[O-])C2	REAL300003862519	0	50	0.0	-76.60	370.40	10.42	-66.18
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC=C1CCC(=O)[O-])C2	REAL300003862519	1	50	0.0	-66.88	370.95	10.38	-56.50
C[N@@H+]1CCC2(C1)CCCN(C(=O)COCC1=C(C(=O)[O-])N=CO1)C2	REAL300003862520	0	47	0.0	-82.47	363.79	5.02	-77.45
C[N@H+]1CCC2(C1)CCCN(C(=O)COCC1=C(C(=O)[O-])N=CO1)C2	REAL300003862520	1	47	0.0	-83.58	364.88	5.29	-78.29
C[N@@H+]1CCC2(C1)CCCN(C(=O)C=CC1=CC=C(C(=O)[O-])O1)C2	REAL300003862521	0	45	0.0	-62.54	350.56	9.02	-53.52
C[N@H+]1CCC2(C1)CCCN(C(=O)C=CC1=CC=C(C(=O)[O-])O1)C2	REAL300003862521	1	45	0.0	-71.88	351.34	9.03	-62.85
CC1=CC=C(C(=O)N2CCCC3(CC[N@@H+](C)C3)C2)C=C1C(=O)[O-]	REAL300003862522	0	47	0.0	-72.45	345.97	9.42	-63.03
CC1=CC=C(C(=O)N2CCCC3(CC[N@H+](C)C3)C2)C=C1C(=O)[O-]	REAL300003862522	1	47	0.0	-59.22	345.05	9.39	-49.83
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CN=CC(C(=O)[O-])=C1)C2	REAL300003862523	0	43	0.0	-64.48	325.96	7.13	-57.35
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CN=CC(C(=O)[O-])=C1)C2	REAL300003862523	1	43	0.0	-70.71	327.20	7.06	-63.65
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCC2(CC[N@@H+](C)C2)C1	REAL300003862524	0	46	0.0	-67.89	346.12	7.73	-60.16
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCC2(CC[N@H+](C)C2)C1	REAL300003862524	1	46	0.0	-70.36	344.03	7.75	-62.61
C[N@@H+]1CCC2(C1)CCCN(C(=O)CN1C=CC(C(=O)[O-])=N1)C2	REAL300003862525	0	44	0.0	-83.54	337.12	7.38	-76.16
C[N@H+]1CCC2(C1)CCCN(C(=O)CN1C=CC(C(=O)[O-])=N1)C2	REAL300003862525	1	44	0.0	-90.33	336.93	7.41	-82.92
C[N@@H+]1CCC2(C1)CCCN(C(=O)CCCN1C=CC(C(=O)[O-])=N1)C2	REAL300003862526	0	50	0.0	-85.85	380.73	8.80	-77.05
C[N@H+]1CCC2(C1)CCCN(C(=O)CCCN1C=CC(C(=O)[O-])=N1)C2	REAL300003862526	1	50	0.0	-88.07	381.79	9.06	-79.01
C[N@@H+]1CCC2(C1)CCCN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C2	REAL300003862527	0	51	0.0	-80.77	372.65	9.07	-71.70
C[N@H+]1CCC2(C1)CCCN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C2	REAL300003862527	1	51	0.0	-77.57	372.36	9.07	-68.50
C[N@@H+]1CCC2(C1)CCCN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C2	REAL300003862528	0	51	0.0	-70.62	372.91	8.08	-62.54
C[N@H+]1CCC2(C1)CCCN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C2	REAL300003862528	1	51	0.0	-72.45	374.59	8.08	-64.37
CC1=C(C(=O)N2CCCC3(CC[N@@H+](C)C3)C2)OC(C(=O)[O-])=C1	REAL300003862529	0	44	0.0	-68.30	332.08	8.24	-60.06
CC1=C(C(=O)N2CCCC3(CC[N@H+](C)C3)C2)OC(C(=O)[O-])=C1	REAL300003862529	1	44	0.0	-45.51	333.45	8.41	-37.10
C[N@@H+]1CCC2(C1)CCCN(C(=O)[C@@H]1C3C=CC(CC3)[C@@H]1C(=O)[O-])C2	REAL300003862530	0	52	0.0	-67.58	360.13	10.40	-57.18
C[N@H+]1CCC2(C1)CCCN(C(=O)[C@@H]1C3C=CC(CC3)[C@@H]1C(=O)[O-])C2	REAL300003862530	1	52	0.0	-77.18	359.92	10.54	-66.64
C[N@@H+]1CCC2(C1)CCCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C2	REAL300003862531	0	50	0.0	-71.64	344.37	9.67	-61.97
C[N@H+]1CCC2(C1)CCCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C2	REAL300003862531	1	50	0.0	-64.02	344.53	9.40	-54.62
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C2	REAL300003862533	0	51	0.0	-69.24	379.30	10.91	-58.33
C[N@H+]1CCC2(C1)CCCN(C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C2	REAL300003862533	1	51	0.0	-67.12	378.83	11.09	-56.03
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)C2	REAL300003862534	0	51	0.0	-81.69	387.61	9.61	-72.08
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=C(CC(=O)[O-])C3=CC=CC=C3N1)C2	REAL300003862534	1	51	0.0	-81.67	384.56	10.33	-71.34
C[N@@H+]1CCC2(C1)CCCN(C(=O)CN1C=C(C(=O)[O-])C3=CC=CC=C31)C2	REAL300003862535	0	51	0.0	-88.58	390.45	11.55	-77.03
C[N@H+]1CCC2(C1)CCCN(C(=O)CN1C=C(C(=O)[O-])C3=CC=CC=C31)C2	REAL300003862535	1	51	0.0	-81.10	390.52	11.56	-69.54
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1CC3(CC3C(=O)[O-])C1)C2	REAL300003862536	0	48	0.0	-60.55	354.19	9.77	-50.78
C[N@H+]1CCC2(C1)CCCN(C(=O)C1CC3(CC3C(=O)[O-])C1)C2	REAL300003862536	1	48	0.0	-69.08	352.59	9.59	-59.49
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCCC2(CC[N@H+](C)C2)C1	REAL300003862537	0	50	0.0	-82.10	361.68	10.34	-71.76
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCCC2(CC[N@@H+](C)C2)C1	REAL300003862537	1	50	0.0	-69.83	361.69	10.30	-59.53
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCC2(CC[N@@H+](C)C2)C1	REAL300003862538	0	47	0.0	-69.72	351.34	9.73	-59.99
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCC2(CC[N@H+](C)C2)C1	REAL300003862538	1	47	0.0	-74.01	348.79	9.57	-64.44
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=C(C(=O)[O-])SC=C1)C2	REAL300003862539	0	41	0.0	-72.63	318.58	8.86	-63.77
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=C(C(=O)[O-])SC=C1)C2	REAL300003862539	1	41	0.0	-73.04	321.09	9.14	-63.90
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCC2(CC[N@@H+](C)C2)C1	REAL300003862540	0	46	0.0	-65.38	340.33	7.58	-57.80
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCC2(CC[N@H+](C)C2)C1	REAL300003862540	1	46	0.0	-71.30	340.59	7.82	-63.48
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCC2(CC[N@@H+](C)C2)C1	REAL300003862541	0	47	0.0	-71.81	350.84	9.54	-62.27
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCC2(CC[N@H+](C)C2)C1	REAL300003862541	1	47	0.0	-75.25	351.87	9.80	-65.45
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C2	REAL300003862542	0	44	0.0	-63.13	346.26	9.39	-53.74
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C2	REAL300003862542	1	44	0.0	-72.19	344.63	9.62	-62.57
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1CC3(CC(C(=O)[O-])C3)C1)C2	REAL300003862543	0	51	0.0	-74.43	370.92	10.08	-64.35
C[N@H+]1CCC2(C1)CCCN(C(=O)C1CC3(CC(C(=O)[O-])C3)C1)C2	REAL300003862543	1	51	0.0	-72.46	371.59	10.07	-62.39
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCC3(CC[N@H+](C)C3)C2)=C1	REAL300003862544	0	47	0.0	-65.23	356.76	7.30	-57.93
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCC3(CC[N@@H+](C)C3)C2)=C1	REAL300003862544	1	47	0.0	-63.08	356.40	7.22	-55.86
CN1C(C(=O)[O-])=CC=C1C(=O)N1CCCC2(CC[N@H+](C)C2)C1	REAL300003862545	0	45	0.0	-74.12	333.22	8.40	-65.72
CN1C(C(=O)[O-])=CC=C1C(=O)N1CCCC2(CC[N@@H+](C)C2)C1	REAL300003862545	1	45	0.0	-69.51	330.91	8.12	-61.39
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(CCC(=O)[O-])C=C1)C2	REAL300003862546	0	50	0.0	-68.81	374.91	10.51	-58.30
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(CCC(=O)[O-])C=C1)C2	REAL300003862546	1	50	0.0	-72.80	374.50	10.73	-62.07
CC1=NNC(C(=O)N2CCCC3(CC[N@@H+](C)C3)C2)=C1C(=O)[O-]	REAL300003862547	0	44	0.0	-68.40	333.07	5.83	-62.57
CC1=NNC(C(=O)N2CCCC3(CC[N@H+](C)C3)C2)=C1C(=O)[O-]	REAL300003862547	1	44	0.0	-73.24	327.06	6.99	-66.25
CC1=C(C(=O)[O-])C(C(=O)N2CCCC3(CC[N@@H+](C)C3)C2)=NN1	REAL300003862547	1	44	0.0	-77.44	325.50	7.43	-70.01
CC1=C(C(=O)[O-])C(C(=O)N2CCCC3(CC[N@H+](C)C3)C2)=NN1	REAL300003862547	1	44	0.0	-79.52	326.71	7.42	-72.10
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1CC3(C1)C(C(=O)[O-])C3(F)F)C2	REAL300003862548	0	48	0.0	-65.02	364.60	9.71	-55.31
C[N@H+]1CCC2(C1)CCCN(C(=O)C1CC3(C1)C(C(=O)[O-])C3(F)F)C2	REAL300003862548	1	48	0.0	-75.86	363.87	9.71	-66.15
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CSC(C(=O)[O-])=N1)C2	REAL300003862549	0	40	0.0	-48.68	317.57	6.92	-41.76
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CSC(C(=O)[O-])=N1)C2	REAL300003862549	1	40	0.0	-41.11	318.92	7.09	-34.02
CC1=C(C(=O)N2CCCC3(CC[N@@H+](C)C3)C2)C=C(C(=O)[O-])S1	REAL300003862550	0	44	0.0	-69.16	342.52	8.76	-60.40
CC1=C(C(=O)N2CCCC3(CC[N@H+](C)C3)C2)C=C(C(=O)[O-])S1	REAL300003862550	1	44	0.0	-72.56	341.81	8.80	-63.76
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC3=C(SC(C(=O)[O-])=C3)S1)C2	REAL300003862551	0	44	0.0	-72.26	358.38	9.45	-62.81
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC3=C(SC(C(=O)[O-])=C3)S1)C2	REAL300003862551	1	44	0.0	-75.98	359.39	9.71	-66.27
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCC3(CC[N@H+](C)C3)C2)=C1	REAL300003862552	0	48	0.0	-61.61	372.75	8.77	-52.84
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCC3(CC[N@@H+](C)C3)C2)=C1	REAL300003862552	1	48	0.0	-72.90	373.54	8.85	-64.05
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CCCC2(CC[N@@H+](C)C2)C1	REAL300003862553	0	47	0.0	-66.48	355.02	9.52	-56.96
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N1CCCC2(CC[N@H+](C)C2)C1	REAL300003862553	1	47	0.0	-70.65	356.37	9.55	-61.10
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC3=C(C(=O)[O-])C=CC=C3S1)C2	REAL300003862554	0	47	0.0	-75.35	363.61	10.15	-65.20
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC3=C(C(=O)[O-])C=CC=C3S1)C2	REAL300003862554	1	47	0.0	-81.02	364.72	10.40	-70.62
C[N@@H+]1CCC2(C1)CCCN(C(=O)CCC1=CC=CN=C1C(=O)[O-])C2	REAL300003862555	0	49	0.0	-78.88	364.62	8.72	-70.16
C[N@H+]1CCC2(C1)CCCN(C(=O)CCC1=CC=CN=C1C(=O)[O-])C2	REAL300003862555	1	49	0.0	-74.14	365.74	9.00	-65.14
C[N@@H+]1CCC2(C1)CCCN(C(=O)C13CC(C(=O)[O-])(C1)CO3)C2	REAL300003862556	0	46	0.0	-68.60	334.51	6.97	-61.63
C[N@H+]1CCC2(C1)CCCN(C(=O)C13CC(C(=O)[O-])(C1)CO3)C2	REAL300003862556	1	46	0.0	-69.59	336.77	7.02	-62.57
C[N@@H+]1CCC2(C1)CCCN(C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C2	REAL300003862557	0	48	0.0	-76.49	365.83	10.64	-65.85
C[N@H+]1CCC2(C1)CCCN(C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C2	REAL300003862557	1	48	0.0	-76.44	365.26	10.43	-66.01
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300003862558	0	51	0.0	-65.90	357.66	9.77	-56.13
C[N@H+]1CCC2(C1)CCCN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300003862558	1	51	0.0	-54.77	362.73	9.60	-45.17
CN1N=CC(C(=O)[O-])=C1C(=O)N1CCCC2(CC[N@H+](C)C2)C1	REAL300003862559	0	44	0.0	-77.20	338.73	6.83	-70.37
CN1N=CC(C(=O)[O-])=C1C(=O)N1CCCC2(CC[N@@H+](C)C2)C1	REAL300003862559	1	44	0.0	-77.74	337.66	6.57	-71.17
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC3=C(N1)C(C(=O)[O-])=CS3)C2	REAL300003862560	0	45	0.0	-70.79	352.88	8.45	-62.34
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC3=C(N1)C(C(=O)[O-])=CS3)C2	REAL300003862560	1	45	0.0	-70.63	354.18	8.72	-61.91
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC3=C(C=C(C(=O)[O-])S3)N1)C2	REAL300003862561	0	45	0.0	-75.94	353.11	8.60	-67.34
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC3=C(C=C(C(=O)[O-])S3)N1)C2	REAL300003862561	1	45	0.0	-76.07	354.41	8.86	-67.21
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC3=C(N1)C(C(=O)[O-])=CO3)C2	REAL300003862562	0	45	0.0	-60.32	344.44	7.60	-52.72
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC3=C(N1)C(C(=O)[O-])=CO3)C2	REAL300003862562	1	45	0.0	-59.00	345.51	7.86	-51.14
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCC2(CC[N@@H+](C)C2)C1	REAL300003862563	0	47	0.0	-69.18	344.00	9.37	-59.81
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCC2(CC[N@H+](C)C2)C1	REAL300003862563	1	47	0.0	-76.21	345.00	9.66	-66.55
C[N@@H+]1CCC2(C1)CCCN(C(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C2	REAL300003862564	0	47	0.0	-78.88	361.18	8.89	-69.99
C[N@H+]1CCC2(C1)CCCN(C(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C2	REAL300003862564	1	47	0.0	-79.53	361.15	8.68	-70.85
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC(C(=O)[O-])=CS1)C2	REAL300003862565	0	41	0.0	-73.46	321.55	7.89	-65.57
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC(C(=O)[O-])=CS1)C2	REAL300003862565	1	41	0.0	-76.77	322.16	7.98	-68.79
C[N@@H+]1CCC2(C1)CCCN(C(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])C2	REAL300003862566	0	49	0.0	-66.14	346.18	7.87	-58.27
C[N@H+]1CCC2(C1)CCCN(C(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])C2	REAL300003862566	1	49	0.0	-73.86	350.60	7.52	-66.34
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC3=C(C(=O)[O-])C=CC=C13)C2	REAL300003862567	0	50	0.0	-73.32	372.38	11.21	-62.11
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC3=C(C(=O)[O-])C=CC=C13)C2	REAL300003862567	1	50	0.0	-77.99	369.73	11.00	-66.99
CC(C)[C@]1(C(=O)N2CCCC3(CC[N@H+](C)C3)C2)C[C@H]1C(=O)[O-]	REAL300003862568	0	50	0.0	-58.00	350.95	8.82	-49.18
CC(C)[C@]1(C(=O)N2CCCC3(CC[N@@H+](C)C3)C2)C[C@H]1C(=O)[O-]	REAL300003862568	1	50	0.0	-59.91	346.18	9.23	-50.68
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCC2(CC[N@@H+](C)C2)C1	REAL300003862569	0	50	0.0	-78.91	373.80	10.61	-68.30
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCC2(CC[N@H+](C)C2)C1	REAL300003862569	1	50	0.0	-81.46	373.20	10.43	-71.03
C[N@@H+]1CCC2(C1)CCCN(C(=O)CC1=CC(C(=O)[O-])=CS1)C2	REAL300003862570	0	44	0.0	-70.27	348.64	9.28	-60.99
C[N@H+]1CCC2(C1)CCCN(C(=O)CC1=CC(C(=O)[O-])=CS1)C2	REAL300003862570	1	44	0.0	-77.38	347.06	9.11	-68.27
C[N@@H+]1CCC2(C1)CCCN(C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C2	REAL300003862571	0	47	0.0	-83.65	359.96	9.97	-73.68
C[N@H+]1CCC2(C1)CCCN(C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C2	REAL300003862571	1	47	0.0	-84.15	361.32	10.23	-73.92
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CC(C)[N@@H+]1CCC(N(C)C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003862578	0	47	0.0	-77.17	360.37	10.06	-67.11
CC(C)[N@H+]1CCC(N(C)C(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003862578	1	47	0.0	-75.98	361.05	10.02	-65.96
CC(C)[N@@H+]1CCC(N(C)C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300003862579	0	51	0.0	-74.82	405.60	5.15	-69.67
CC(C)[N@H+]1CCC(N(C)C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1	REAL300003862579	1	51	0.0	-74.66	404.75	5.25	-69.41
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300003862580	0	45	0.0	-73.94	352.28	9.15	-64.79
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300003862580	1	45	0.0	-61.31	353.18	9.20	-52.11
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300003862581	0	45	0.0	-73.94	352.28	9.15	-64.79
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1	REAL300003862581	1	45	0.0	-61.31	353.18	9.20	-52.11
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CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300003862583	0	50	0.0	-75.18	382.06	9.69	-65.49
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300003862583	1	50	0.0	-75.56	382.37	9.64	-65.92
CC(C)[N@@H+]1CCC(N(C)C(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300003862584	0	49	0.0	-66.77	366.60	10.19	-56.58
CC(C)[N@H+]1CCC(N(C)C(=O)CCC2=CC=CC=C2C(=O)[O-])C1	REAL300003862584	1	49	0.0	-69.29	365.96	10.20	-59.09
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CC(C)[N@@H+]1CCC(N(C)C(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300003862586	0	46	0.0	-81.73	351.55	9.47	-72.26
CC(C)[N@H+]1CCC(N(C)C(=O)CC2=CC=CC(C(=O)[O-])=C2)C1	REAL300003862586	1	46	0.0	-78.03	352.05	9.51	-68.52
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300003862587	0	43	0.0	-75.62	329.26	8.62	-67.00
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC=C(C(=O)[O-])C=C2F)C1	REAL300003862587	1	43	0.0	-73.38	333.84	8.68	-64.70
CC(C)[N@@H+]1CCC(N(C)C(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003862588	0	46	0.0	-83.76	353.84	9.64	-74.12
CC(C)[N@H+]1CCC(N(C)C(=O)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300003862588	1	46	0.0	-83.76	353.52	9.66	-74.10
CC1=NC(C(=O)N(C)C2CC[N@@H+](C(C)C)C2)=CC=C1C(=O)[O-]	REAL300003862589	0	45	0.0	-64.71	340.61	8.31	-56.40
CC1=NC(C(=O)N(C)C2CC[N@H+](C(C)C)C2)=CC=C1C(=O)[O-]	REAL300003862589	1	45	0.0	-64.42	340.20	8.35	-56.07
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300003862590	0	43	0.0	-75.46	345.42	9.10	-66.36
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300003862590	1	43	0.0	-75.93	348.43	9.18	-66.75
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300003862591	0	46	0.0	-77.45	349.79	9.35	-68.10
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC=CC(CC(=O)[O-])=C2)C1	REAL300003862591	1	46	0.0	-75.32	347.62	9.22	-66.10
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C1	REAL300003862592	0	53	0.0	-67.65	392.23	11.66	-55.99
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C1	REAL300003862592	1	53	0.0	-52.33	395.85	11.70	-40.63
CC1=COC(CC(=O)[O-])=C1C(=O)N(C)C1CC[N@@H+](C(C)C)C1	REAL300003862593	0	46	0.0	-52.84	353.74	8.32	-44.52
CC1=COC(CC(=O)[O-])=C1C(=O)N(C)C1CC[N@H+](C(C)C)C1	REAL300003862593	1	46	0.0	-55.77	349.69	8.25	-47.52
CC(C)[N@@H+]1CCC(N(C)C(=O)CC2CCC(C(=O)[O-])CC2)C1	REAL300003862594	0	52	0.0	-68.47	366.94	9.70	-58.77
CC(C)[N@H+]1CCC(N(C)C(=O)CC2CCC(C(=O)[O-])CC2)C1	REAL300003862594	1	52	0.0	-64.98	363.82	9.50	-55.48
CC(C)[N@@H+]1CCC(N(C)C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1	REAL300003862595	0	50	0.0	-81.98	354.72	9.03	-72.95
CC(C)[N@H+]1CCC(N(C)C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1	REAL300003862595	1	50	0.0	-85.95	356.12	9.01	-76.94
CC(C)[N@@H+]1CCC(N(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300003862596	0	53	0.0	-74.89	361.30	9.06	-65.83
CC(C)[N@H+]1CCC(N(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300003862596	1	53	0.0	-74.66	359.99	9.01	-65.65
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C1	REAL300003862597	0	45	0.0	-86.34	357.47	7.62	-78.72
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C1	REAL300003862597	1	45	0.0	-77.89	350.99	7.80	-70.09
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300003862598	0	50	0.0	-82.40	376.83	9.94	-72.46
CC(C)[N@H+]1CCC(N(C)C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300003862598	1	50	0.0	-72.19	384.18	9.27	-62.92
CC(C)[N@@H+]1CCC(N(C)C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300003862599	0	56	0.0	-71.92	407.83	11.87	-60.05
CC(C)[N@H+]1CCC(N(C)C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C1	REAL300003862599	1	56	0.0	-71.76	406.08	11.74	-60.02
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC=C(C=CC(=O)[O-])O2)C1	REAL300003862600	0	44	0.0	-64.95	346.49	8.63	-56.32
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC=C(C=CC(=O)[O-])O2)C1	REAL300003862600	1	44	0.0	-65.28	344.26	8.50	-56.78
CC(C)[N@@H+]1CCC(N(C)C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300003862601	0	50	0.0	-54.64	352.21	9.15	-45.49
CC(C)[N@H+]1CCC(N(C)C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300003862601	1	50	0.0	-53.97	352.97	9.22	-44.75
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300003862602	0	47	0.0	-74.74	354.43	8.99	-65.75
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300003862602	1	47	0.0	-73.64	354.16	8.71	-64.93
CC(C)[N@@H+]1CCC(N(C)C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300003862603	0	52	0.0	-83.44	395.73	9.46	-73.98
CC(C)[N@H+]1CCC(N(C)C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1	REAL300003862603	1	52	0.0	-80.92	393.49	9.63	-71.29
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300003862604	0	46	0.0	-68.46	347.94	9.34	-59.12
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC=C(CC(=O)[O-])C=C2)C1	REAL300003862604	1	46	0.0	-70.38	345.30	9.20	-61.18
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300003862605	0	47	0.0	-76.35	355.51	9.98	-66.37
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1	REAL300003862605	1	47	0.0	-75.31	355.25	9.72	-65.59
CC(C)[N@@H+]1CCC(N(C)C(=O)C=CC2=CC(C(=O)[O-])=CO2)C1	REAL300003862606	0	44	0.0	-73.77	344.88	8.30	-65.47
CC(C)[N@H+]1CCC(N(C)C(=O)C=CC2=CC(C(=O)[O-])=CO2)C1	REAL300003862606	1	44	0.0	-72.46	345.59	8.26	-64.20
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC=CC=C2CCC(=O)[O-])C1	REAL300003862607	0	49	0.0	-74.76	366.44	10.02	-64.74
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC=CC=C2CCC(=O)[O-])C1	REAL300003862607	1	49	0.0	-70.08	366.88	10.02	-60.06
CC(C)[N@@H+]1CCC(N(C)C(=O)COCC2=C(C(=O)[O-])N=CO2)C1	REAL300003862608	0	46	0.0	-82.11	359.50	4.57	-77.54
CC(C)[N@H+]1CCC(N(C)C(=O)COCC2=C(C(=O)[O-])N=CO2)C1	REAL300003862608	1	46	0.0	-81.03	362.01	4.70	-76.33
CC(C)[N@@H+]1CCC(N(C)C(=O)C=CC2=CC=C(C(=O)[O-])O2)C1	REAL300003862609	0	44	0.0	-68.94	346.45	8.67	-60.27
CC(C)[N@H+]1CCC(N(C)C(=O)C=CC2=CC=C(C(=O)[O-])O2)C1	REAL300003862609	1	44	0.0	-68.71	347.16	8.63	-60.08
CC1=CC=C(C(=O)N(C)C2CC[N@@H+](C(C)C)C2)C=C1C(=O)[O-]	REAL300003862610	0	46	0.0	-82.50	342.83	9.11	-73.39
CC1=CC=C(C(=O)N(C)C2CC[N@H+](C(C)C)C2)C=C1C(=O)[O-]	REAL300003862610	1	46	0.0	-84.83	344.78	9.16	-75.67
CC1=NC=C(C(=O)[O-])C=C1C(=O)N(C)C1CC[N@@H+](C(C)C)C1	REAL300003862611	0	45	0.0	-61.98	341.03	7.46	-54.52
CC1=NC=C(C(=O)[O-])C=C1C(=O)N(C)C1CC[N@H+](C(C)C)C1	REAL300003862611	1	45	0.0	-62.92	341.87	7.44	-55.48
CC(C)[N@@H+]1CCC(N(C)C(=O)CCCN2C=CC(C(=O)[O-])=N2)C1	REAL300003862612	0	49	0.0	-90.88	378.88	8.50	-82.38
CC(C)[N@H+]1CCC(N(C)C(=O)CCCN2C=CC(C(=O)[O-])=N2)C1	REAL300003862612	1	49	0.0	-91.87	378.55	8.52	-83.35
CC(C)[N@@H+]1CCC(N(C)C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	REAL300003862613	0	50	0.0	-81.55	369.92	8.77	-72.78
CC(C)[N@H+]1CCC(N(C)C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1	REAL300003862613	1	50	0.0	-80.92	370.19	8.76	-72.16
CC(C)[N@@H+]1CCC(N(C)C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	REAL300003862614	0	50	0.0	-72.59	372.13	7.74	-64.85
CC(C)[N@H+]1CCC(N(C)C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1	REAL300003862614	1	50	0.0	-69.50	369.53	7.64	-61.86
CC(C)[N@@H+]1CCC(N(C)C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C1	REAL300003862615	0	51	0.0	-53.96	358.37	10.00	-43.96
CC(C)[N@H+]1CCC(N(C)C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C1	REAL300003862615	1	51	0.0	-63.00	352.29	10.41	-52.59
CC(C)[N@@H+]1CCC(N(C)C(=O)CN2CCCC(C(=O)[O-])C2)C1	REAL300003862616	1	51	0.0	-75.62	369.81	7.01	-68.61
CC(C)[N@H+]1CCC(N(C)C(=O)CN2CCCC(C(=O)[O-])C2)C1	REAL300003862616	1	51	0.0	-70.72	361.54	6.48	-64.24
CC(C)[N@@H+]1CCC(N(C)C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C1	REAL300003862617	0	50	0.0	-60.87	372.86	10.34	-50.53
CC(C)[N@H+]1CCC(N(C)C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C1	REAL300003862617	1	50	0.0	-49.30	366.63	10.27	-39.03
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300003862618	0	50	0.0	-82.40	376.83	9.94	-72.46
CC(C)[N@H+]1CCC(N(C)C(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1	REAL300003862618	1	50	0.0	-72.19	384.18	9.27	-62.92
CC(C)[N@@H+]1CCC(N(C)C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300003862619	0	50	0.0	-92.24	387.31	11.04	-81.20
CC(C)[N@H+]1CCC(N(C)C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C1	REAL300003862619	1	50	0.0	-89.34	385.39	10.92	-78.42
CC1=CC=C(C(=O)[O-])C=C1C(=O)N(C)C1CC[N@@H+](C(C)C)C1	REAL300003862620	0	46	0.0	-66.27	346.81	9.19	-57.08
CC1=CC=C(C(=O)[O-])C=C1C(=O)N(C)C1CC[N@H+](C(C)C)C1	REAL300003862620	1	46	0.0	-64.17	346.54	9.22	-54.95
CC1=C(C(=O)[O-])C=NC=C1C(=O)N(C)C1CC[N@@H+](C(C)C)C1	REAL300003862621	0	45	0.0	-71.04	336.33	7.27	-63.77
CC1=C(C(=O)[O-])C=NC=C1C(=O)N(C)C1CC[N@H+](C(C)C)C1	REAL300003862621	1	45	0.0	-73.15	335.57	7.26	-65.89
CC1=CC(C(=O)[O-])=CC=C1C(=O)N(C)C1CC[N@@H+](C(C)C)C1	REAL300003862622	0	46	0.0	-72.94	345.28	9.21	-63.73
CC1=CC(C(=O)[O-])=CC=C1C(=O)N(C)C1CC[N@H+](C(C)C)C1	REAL300003862622	1	46	0.0	-73.90	347.72	9.22	-64.68
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300003862623	0	43	0.0	-74.00	337.36	9.04	-64.96
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1	REAL300003862623	1	43	0.0	-72.13	342.55	9.09	-63.04
CC(C)[N@@H+]1CCC(N(C)C(=O)C2CC3(CC(C(=O)[O-])C3)C2)C1	REAL300003862624	0	50	0.0	-73.82	369.35	9.80	-64.02
CC(C)[N@H+]1CCC(N(C)C(=O)C2CC3(CC(C(=O)[O-])C3)C2)C1	REAL300003862624	1	50	0.0	-75.33	369.34	9.79	-65.54
COC1=CC(C(=O)[O-])=NC(C(=O)N(C)C2CC[N@@H+](C(C)C)C2)=C1	REAL300003862625	0	46	0.0	-57.29	352.05	7.02	-50.27
COC1=CC(C(=O)[O-])=NC(C(=O)N(C)C2CC[N@H+](C(C)C)C2)=C1	REAL300003862625	1	46	0.0	-56.78	354.24	7.16	-49.62
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300003862626	0	49	0.0	-72.15	369.34	10.15	-62.00
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1	REAL300003862626	1	49	0.0	-72.66	370.71	10.17	-62.49
CC(C)[N@@H+]1CCC(N(C)C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C1	REAL300003862627	0	47	0.0	-80.60	359.77	9.54	-71.06
CC(C)[N@H+]1CCC(N(C)C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C1	REAL300003862627	1	47	0.0	-69.94	361.01	9.32	-60.62
CC1=C(C(=O)N(C)C2CC[N@@H+](C(C)C)C2)C=C(C(=O)[O-])S1	REAL300003862628	0	43	0.0	-65.82	336.21	8.34	-57.48
CC1=C(C(=O)N(C)C2CC[N@H+](C(C)C)C2)C=C(C(=O)[O-])S1	REAL300003862628	1	43	0.0	-63.21	333.85	8.44	-54.77
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1	REAL300003862629	0	43	0.0	-79.17	353.52	8.98	-70.19
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1	REAL300003862629	1	43	0.0	-79.79	354.24	9.05	-70.74
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N(C)C2CC[N@@H+](C(C)C)C2)=C1	REAL300003862630	0	47	0.0	-78.47	361.71	8.38	-70.09
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N(C)C2CC[N@H+](C(C)C)C2)=C1	REAL300003862630	1	47	0.0	-75.06	366.38	8.44	-66.62
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N(C)C1CC[N@@H+](C(C)C)C1	REAL300003862631	0	46	0.0	-65.16	352.98	9.20	-55.96
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N(C)C1CC[N@H+](C(C)C)C1	REAL300003862631	1	46	0.0	-65.63	355.62	9.19	-56.44
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C1	REAL300003862632	0	46	0.0	-87.38	359.45	9.74	-77.64
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C1	REAL300003862632	1	46	0.0	-87.13	359.50	9.73	-77.40
CC(C)[N@@H+]1CCC(N(C)C(=O)CCC2=CC=CN=C2C(=O)[O-])C1	REAL300003862633	0	48	0.0	-69.97	362.26	8.41	-61.56
CC(C)[N@H+]1CCC(N(C)C(=O)CCC2=CC=CN=C2C(=O)[O-])C1	REAL300003862633	1	48	0.0	-74.13	361.01	8.28	-65.85
CC(C)[N@@H+]1CCC(N(C)C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1	REAL300003862634	0	47	0.0	-76.58	362.97	10.14	-66.44
CC(C)[N@H+]1CCC(N(C)C(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1	REAL300003862634	1	47	0.0	-76.61	363.01	10.13	-66.48
CC(C)[N@@H+]1CCC(N(C)C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300003862635	0	50	0.0	-54.64	352.21	9.15	-45.49
CC(C)[N@H+]1CCC(N(C)C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300003862635	1	50	0.0	-53.97	352.97	9.22	-44.75
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300003862636	0	44	0.0	-64.49	349.83	8.26	-56.23
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1	REAL300003862636	1	44	0.0	-64.46	349.91	8.25	-56.21
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300003862637	0	44	0.0	-76.53	350.04	8.37	-68.16
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1	REAL300003862637	1	44	0.0	-76.55	350.10	8.37	-68.18
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300003862638	0	44	0.0	-66.42	341.18	7.39	-59.03
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1	REAL300003862638	1	44	0.0	-66.36	341.25	7.39	-58.97
CC1=C(C(=O)[O-])C=CC=C1C(=O)N(C)C1CC[N@@H+](C(C)C)C1	REAL300003862639	0	46	0.0	-76.06	341.30	9.15	-66.91
CC1=C(C(=O)[O-])C=CC=C1C(=O)N(C)C1CC[N@H+](C(C)C)C1	REAL300003862639	1	46	0.0	-76.74	341.32	9.08	-67.66
CC(C)[N@@H+]1CCC(N(C)C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300003862640	0	46	0.0	-77.82	358.48	8.37	-69.45
CC(C)[N@H+]1CCC(N(C)C(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1	REAL300003862640	1	46	0.0	-78.07	356.28	8.60	-69.47
CC(C)[N@@H+]1CCC(N(C)C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C1	REAL300003862641	0	48	0.0	-66.17	347.87	7.27	-58.90
CC(C)[N@H+]1CCC(N(C)C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C1	REAL300003862641	1	48	0.0	-68.05	347.07	7.37	-60.68
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300003862642	0	49	0.0	-79.75	366.47	10.67	-69.08
CC(C)[N@H+]1CCC(N(C)C(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1	REAL300003862642	1	49	0.0	-79.10	366.25	10.68	-68.42
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N(C)C1CC[N@@H+](C(C)C)C1	REAL300003862643	0	49	0.0	-84.98	371.07	10.14	-74.84
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N(C)C1CC[N@H+](C(C)C)C1	REAL300003862643	1	49	0.0	-83.24	368.74	9.98	-73.26
CC(C)[N@@H+]1CCC(N(C)C(=O)CC2=CC(C(=O)[O-])=CS2)C1	REAL300003862644	0	43	0.0	-81.28	345.39	8.78	-72.50
CC(C)[N@H+]1CCC(N(C)C(=O)CC2=CC(C(=O)[O-])=CS2)C1	REAL300003862644	1	43	0.0	-79.88	345.07	8.79	-71.09
CC(C)[N@@H+]1CCC(N(C)C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300003862645	0	46	0.0	-86.20	356.09	9.51	-76.69
CC(C)[N@H+]1CCC(N(C)C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1	REAL300003862645	1	46	0.0	-86.87	358.58	9.66	-77.21
CC(C)[N@@H+]1CCC(N(C)C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C1	REAL300003862646	0	50	0.0	-71.14	373.51	10.01	-61.13
CC(C)[N@H+]1CCC(N(C)C(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C1	REAL300003862646	1	50	0.0	-70.45	373.34	10.03	-60.42
CC(C)[N@@H+]1CCC(N(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300003862647	0	53	0.0	-74.89	361.30	9.06	-65.83
CC(C)[N@H+]1CCC(N(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1	REAL300003862647	1	53	0.0	-74.66	359.99	9.01	-65.65
C[NH+](C)C1CC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)C1(C)C	REAL300003862648	0	47	0.0	-82.83	361.40	8.51	-74.32
CC(SC1=CC=CC=C1C(=O)NC1CC([NH+](C)C)C1(C)C)C(=O)[O-]	REAL300003862649	0	50	0.0	-83.80	380.65	9.88	-73.92
CCOC1=CC(C(=O)NC2CC([NH+](C)C)C2(C)C)=CC=C1OCC(=O)[O-]	REAL300003862650	0	54	0.0	-80.44	411.92	9.18	-71.26
C[NH+](C)C1CC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)C1(C)C	REAL300003862651	0	49	0.0	-79.09	376.78	9.54	-69.55
C[NH+](C)C1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)C1(C)C	REAL300003862652	0	47	0.0	-79.18	364.37	9.41	-69.77
C[NH+](C)C1CC(NC(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C1(C)C	REAL300003862653	0	51	0.0	-76.36	409.04	4.63	-71.73
C[NH+](C)C1CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1(C)C	REAL300003862654	0	45	0.0	-75.94	358.01	8.88	-67.06
C[NH+](C)C1CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)C1(C)C	REAL300003862655	0	45	0.0	-75.94	358.01	8.88	-67.06
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2CC([NH+](C)C)C2(C)C)C=C1	REAL300003862656	0	53	0.0	-80.87	405.31	9.81	-71.06
C[NH+](C)C1CC(NC(=O)C2=CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1(C)C	REAL300003862657	0	50	0.0	-75.47	386.26	9.14	-66.33
C[NH+](C)C1CC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])C1(C)C	REAL300003862658	0	49	0.0	-74.87	368.30	9.28	-65.59
CC1=CC(C(=O)NC2CC([NH+](C)C)C2(C)C)=CC(C)=C1OCC(=O)[O-]	REAL300003862659	0	53	0.0	-77.52	405.81	9.88	-67.64
C[NH+](C)C1CC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)C1(C)C	REAL300003862660	0	46	0.0	-81.97	355.39	8.72	-73.25
C[NH+](C)C1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)C1(C)C	REAL300003862661	0	43	0.0	-76.01	332.91	8.25	-67.76
C[NH+](C)C1CC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)C1(C)C	REAL300003862662	0	46	0.0	-86.55	355.00	8.93	-77.62
CC1=NC(C(=O)NC2CC([NH+](C)C)C2(C)C)=CC=C1C(=O)[O-]	REAL300003862663	0	45	0.0	-67.54	345.52	7.07	-60.47
C[NH+](C)C1CC(NC(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)C1(C)C	REAL300003862664	0	43	0.0	-78.17	351.14	8.83	-69.34
C[NH+](C)C1CC(NC(=O)C2=CC=CC(CC(=O)[O-])=C2)C1(C)C	REAL300003862665	0	46	0.0	-78.67	352.51	9.00	-69.67
C[NH+](C)C1CC(NC(=O)C2=CC=CC=C2C2=CC=CC=C2C(=O)[O-])C1(C)C	REAL300003862666	0	53	0.0	-72.60	394.38	11.57	-61.03
CC1=COC(CC(=O)[O-])=C1C(=O)NC1CC([NH+](C)C)C1(C)C	REAL300003862667	0	46	0.0	-74.88	359.63	7.78	-67.10
C[NH+](C)C1CC(NC(=O)CC2CCC(C(=O)[O-])CC2)C1(C)C	REAL300003862668	0	52	0.0	-80.55	375.51	8.98	-71.57
C[NH+](C)C1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)C1(C)C	REAL300003862669	0	50	0.0	-83.30	362.46	8.37	-74.93
C[NH+](C)C1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1(C)C	REAL300003862670	0	53	0.0	-76.86	373.83	8.95	-67.91
C[NH+](C)C1CC(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)C1(C)C	REAL300003862671	0	45	0.0	-76.20	350.26	7.49	-68.71
C[NH+](C)C1CC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1(C)C	REAL300003862672	0	50	0.0	-83.10	380.55	8.90	-74.20
C[NH+](C)C1CC(NC(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)C1(C)C	REAL300003862673	0	56	0.0	-74.75	406.63	11.05	-63.70
C[NH+](C)C1CC(NC(=O)C2=CC=C(C=CC(=O)[O-])O2)C1(C)C	REAL300003862674	0	44	0.0	-66.54	347.95	7.77	-58.77
C[NH+](C)C1CC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1(C)C	REAL300003862675	0	50	0.0	-57.18	362.11	8.78	-48.40
C[NH+](C)C1CC(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)C1(C)C	REAL300003862676	0	47	0.0	-75.06	361.33	8.54	-66.52
C[NH+](C)C1CC(NC(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)C1(C)C	REAL300003862677	0	52	0.0	-80.38	397.40	8.61	-71.77
C[NH+](C)C1CC(NC(=O)C2=CC=C(CC(=O)[O-])C=C2)C1(C)C	REAL300003862678	0	46	0.0	-73.27	352.50	9.01	-64.26
C[NH+](C)C1CC(NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)C1(C)C	REAL300003862679	0	47	0.0	-76.67	362.40	9.54	-67.13
C[NH+](C)C1CC(NC(=O)C=CC2=CC(C(=O)[O-])=CO2)C1(C)C	REAL300003862680	0	44	0.0	-75.73	349.78	7.49	-68.24
C[NH+](C)C1CC(NC(=O)C2=CC=CC=C2CCC(=O)[O-])C1(C)C	REAL300003862681	0	49	0.0	-81.89	363.96	9.51	-72.38
C[NH+](C)C1CC(NC(=O)COCC2=C(C(=O)[O-])N=CO2)C1(C)C	REAL300003862682	0	46	0.0	-83.18	363.50	3.79	-79.39
C[NH+](C)C1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)C1(C)C	REAL300003862683	0	44	0.0	-71.37	351.32	7.86	-63.51
CC1=CC=C(C(=O)NC2CC([NH+](C)C)C2(C)C)C=C1C(=O)[O-]	REAL300003862684	0	46	0.0	-85.47	346.50	8.81	-76.66
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1CC([NH+](C)C)C1(C)C	REAL300003862685	0	45	0.0	-61.93	339.28	7.04	-54.89
C[NH+](C)C1CC(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)C1(C)C	REAL300003862686	0	49	0.0	-94.80	380.40	7.59	-87.21
C[NH+](C)C1CC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)C1(C)C	REAL300003862687	0	50	0.0	-83.33	373.84	8.00	-75.33
C[NH+](C)C1CC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1(C)C	REAL300003862688	0	50	0.0	-73.59	372.55	7.07	-66.52
C[NH+](C)C1CC(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])C1(C)C	REAL300003862689	0	51	0.0	-57.86	360.77	9.49	-48.37
C[NH+](C)C1CC(NC(=O)CN2CCCC(C(=O)[O-])C2)C1(C)C	REAL300003862690	1	51	0.0	-72.62	370.22	6.32	-66.30
C[NH+](C)C1CC(NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)C1(C)C	REAL300003862691	0	50	0.0	-55.82	370.76	10.08	-45.74
C[NH+](C)C1CC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)C1(C)C	REAL300003862692	0	50	0.0	-83.10	380.55	8.90	-74.20
C[NH+](C)C1CC(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)C1(C)C	REAL300003862693	0	50	0.0	-93.55	387.87	10.35	-83.20
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1CC([NH+](C)C)C1(C)C	REAL300003862694	0	46	0.0	-63.16	343.58	8.84	-54.32
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1CC([NH+](C)C)C1(C)C	REAL300003862695	0	45	0.0	-75.13	333.29	6.94	-68.19
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1CC([NH+](C)C)C1(C)C	REAL300003862696	0	46	0.0	-75.66	344.04	8.62	-67.04
C[NH+](C)C1CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)C1(C)C	REAL300003862697	0	43	0.0	-74.36	340.89	8.67	-65.69
C[NH+](C)C1CC(NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)C1(C)C	REAL300003862698	0	50	0.0	-76.39	369.20	8.85	-67.54
COC1=CC(C(=O)[O-])=NC(C(=O)NC2CC([NH+](C)C)C2(C)C)=C1	REAL300003862699	0	46	0.0	-60.55	355.69	5.73	-54.82
C[NH+](C)C1CC(NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)C1(C)C	REAL300003862700	0	49	0.0	-74.79	373.90	9.82	-64.97
C[NH+](C)C1CC(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)C1(C)C	REAL300003862701	0	47	0.0	-80.09	359.81	9.42	-70.67
CC1=C(C(=O)NC2CC([NH+](C)C)C2(C)C)C=C(C(=O)[O-])S1	REAL300003862702	0	43	0.0	-64.56	337.15	7.98	-56.58
C[NH+](C)C1CC(NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)C1(C)C	REAL300003862703	0	43	0.0	-76.57	357.70	8.73	-67.84
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2CC([NH+](C)C)C2(C)C)=C1	REAL300003862704	0	47	0.0	-78.58	366.11	7.65	-70.93
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1CC([NH+](C)C)C1(C)C	REAL300003862705	0	46	0.0	-67.46	358.42	8.64	-58.82
C[NH+](C)C1CC(NC(=O)C2=CC3=C(C(=O)[O-])C=CC=C3S2)C1(C)C	REAL300003862706	0	46	0.0	-85.11	363.56	9.46	-75.65
C[NH+](C)C1CC(NC(=O)CCC2=CC=CN=C2C(=O)[O-])C1(C)C	REAL300003862707	0	48	0.0	-72.68	363.73	7.52	-65.16
C[NH+](C)C1CC(NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)C1(C)C	REAL300003862708	0	47	0.0	-79.31	362.91	9.15	-70.16
C[NH+](C)C1CC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1(C)C	REAL300003862709	0	50	0.0	-57.18	362.11	8.78	-48.40
C[NH+](C)C1CC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)C1(C)C	REAL300003862710	0	44	0.0	-65.44	353.06	7.16	-58.28
C[NH+](C)C1CC(NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)C1(C)C	REAL300003862711	0	44	0.0	-76.61	353.20	7.29	-69.32
C[NH+](C)C1CC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)C1(C)C	REAL300003862712	0	44	0.0	-66.98	344.41	6.30	-60.68
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1CC([NH+](C)C)C1(C)C	REAL300003862713	0	46	0.0	-83.17	337.94	8.74	-74.43
C[NH+](C)C1CC(NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)C1(C)C	REAL300003862714	0	46	0.0	-80.31	361.01	7.46	-72.85
C[NH+](C)C1CC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C1(C)C	REAL300003862715	0	48	0.0	-63.76	349.25	6.10	-57.66
C[NH+](C)C1CC(NC(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C1(C)C	REAL300003862716	0	49	0.0	-82.08	363.84	10.22	-71.86
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1CC([NH+](C)C)C1(C)C	REAL300003862717	0	49	0.0	-87.71	371.71	9.39	-78.32
C[NH+](C)C1CC(NC(=O)CC2=CC(C(=O)[O-])=CS2)C1(C)C	REAL300003862718	0	43	0.0	-84.59	346.54	8.07	-76.52
C[NH+](C)C1CC(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)C1(C)C	REAL300003862719	0	46	0.0	-89.56	359.54	8.96	-80.60
C[NH+](C)C1CC(NC(=O)C2=C3CCCCC3=C(C(=O)[O-])S2)C1(C)C	REAL300003862720	0	50	0.0	-68.83	376.85	9.67	-59.16
C[NH+](C)C1CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1(C)C	REAL300003862721	0	53	0.0	-76.86	373.83	8.95	-67.91
O=C([O-])COC1=CC=CC(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)=C1	REAL300003862722	0	45	0.0	-81.94	348.87	7.76	-74.18
CC(SC1=CC=CC=C1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C(=O)[O-]	REAL300003862723	0	48	0.0	-81.54	379.09	9.74	-71.80
CCOC1=CC(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)=CC=C1OCC(=O)[O-]	REAL300003862724	0	52	0.0	-80.15	408.44	8.91	-71.24
O=C([O-])C1=CC=C(CCC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C=C1	REAL300003862725	0	47	0.0	-78.22	372.67	9.48	-68.74
O=C([O-])C1=CC=C(C=CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C=C1	REAL300003862726	0	45	0.0	-78.33	360.73	9.15	-69.18
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C=C1	REAL300003862727	0	49	0.0	-77.13	405.09	4.34	-72.79
O=C([O-])C1=CC(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)=CC([N+](=O)[O-])=C1	REAL300003862728	0	43	0.0	-75.81	354.54	8.61	-67.20
O=C([O-])C1=CC(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)=CC([N+](=O)[O-])=C1	REAL300003862729	0	43	0.0	-75.81	354.54	8.61	-67.20
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C=C1	REAL300003862730	0	51	0.0	-79.49	394.16	9.14	-70.35
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)=C1	REAL300003862731	0	48	0.0	-75.25	384.47	8.98	-66.27
O=C([O-])C1=CC=CC=C1CCC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL300003862732	0	47	0.0	-69.00	363.61	9.18	-59.82
CC1=CC(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300003862733	0	51	0.0	-77.04	401.70	9.83	-67.21
O=C([O-])C1=CC(CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)=CC=C1	REAL300003862734	0	44	0.0	-83.68	351.25	8.66	-75.02
O=C([O-])C1=CC=C(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C(F)=C1	REAL300003862735	0	41	0.0	-75.46	330.90	8.03	-67.43
O=C([O-])C1=CC=C(CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C=C1	REAL300003862736	0	44	0.0	-85.24	351.22	8.67	-76.57
CC1=NC(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)=CC=C1C(=O)[O-]	REAL300003862737	0	43	0.0	-64.75	340.25	6.77	-57.98
O=C([O-])C1=CC(Br)=CC(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)=C1	REAL300003862738	0	41	0.0	-77.68	347.65	8.56	-69.12
O=C([O-])CC1=CC=CC(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)=C1	REAL300003862739	0	44	0.0	-78.66	348.73	8.75	-69.91
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL300003862740	0	51	0.0	-70.70	392.64	11.35	-59.35
CC1=COC(CC(=O)[O-])=C1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL300003862741	0	44	0.0	-76.06	355.84	7.53	-68.53
O=C([O-])C1CCC(CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)CC1	REAL300003862742	0	50	0.0	-79.62	371.16	8.89	-70.73
O=C([O-])C12CCC(C(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)(CC1)C2	REAL300003862743	0	48	0.0	-82.87	360.67	8.37	-74.50
O=C([O-])C12CCC(C(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)(CC1)CC2	REAL300003862744	0	51	0.0	-76.71	361.33	8.40	-68.31
O=C([O-])C1=C2N=CC=C(C(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)N2N=C1	REAL300003862745	0	43	0.0	-75.27	339.38	6.84	-68.43
O=C([O-])CC1=C(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)NC2=CC=CC=C21	REAL300003862746	0	48	0.0	-83.01	369.63	8.24	-74.77
O=C([O-])C1=CC=C2CCCC(CC(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)C2=C1	REAL300003862747	0	54	0.0	-71.73	405.28	10.85	-60.88
O=C([O-])C=CC1=CC=C(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)O1	REAL300003862748	0	42	0.0	-65.74	345.74	7.55	-58.19
O=C([O-])C1(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)CC2(CCC2)C1	REAL300003862749	0	48	0.0	-55.18	356.55	8.74	-46.44
O=C([O-])COC1=CC=C(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C=C1	REAL300003862750	0	45	0.0	-74.56	357.57	8.28	-66.28
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C1	REAL300003862751	0	50	0.0	-80.75	394.47	8.56	-72.19
O=C([O-])CC1=CC=C(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C=C1	REAL300003862752	0	44	0.0	-71.57	348.35	8.74	-62.83
O=C([O-])C=CC1=CC=C(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C=C1	REAL300003862753	0	45	0.0	-76.36	349.59	8.82	-67.54
O=C([O-])C1=COC(C=CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)=C1	REAL300003862754	0	42	0.0	-74.81	345.93	7.42	-67.39
O=C([O-])CCC1=CC=CC=C1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL300003862755	0	47	0.0	-80.26	361.36	9.50	-70.76
O=C([O-])C1=C(COCC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)OC=N1	REAL300003862756	0	44	0.0	-84.35	350.29	3.27	-81.08
O=C([O-])C1=CC=C(C=CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)O1	REAL300003862757	0	42	0.0	-70.38	338.12	7.34	-63.04
CC1=CC=C(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C=C1C(=O)[O-]	REAL300003862758	0	44	0.0	-86.26	346.20	8.58	-77.68
CC1=NC=C(C(=O)[O-])C=C1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL300003862759	0	43	0.0	-60.76	337.83	6.82	-53.94
O=C([O-])C1=NN(CCCC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C=C1	REAL300003862760	0	47	0.0	-92.73	367.19	7.06	-85.67
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)O1	REAL300003862761	0	48	0.0	-82.08	370.23	7.91	-74.17
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL300003862762	0	48	0.0	-74.51	369.33	6.81	-67.70
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL300003862763	0	49	0.0	-59.88	348.82	8.67	-51.21
O=C([O-])C1CCCN(CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C1	REAL300003862764	1	49	0.0	-72.17	365.37	6.01	-66.16
O=C([O-])C1(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)CC1C1=CC=CC=C1	REAL300003862765	0	48	0.0	-58.09	368.54	9.59	-48.50
O=C([O-])CC1=C(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)NC2=CC=CC=C21	REAL300003862766	0	48	0.0	-83.01	369.63	8.24	-74.77
O=C([O-])C1=CN(CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C2=CC=CC=C12	REAL300003862767	0	48	0.0	-94.65	384.59	10.11	-84.54
CC1=CC=C(C(=O)[O-])C=C1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL300003862768	0	44	0.0	-62.84	333.60	8.19	-54.65
CC1=C(C(=O)[O-])C=NC=C1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL300003862769	0	43	0.0	-74.88	332.07	6.74	-68.14
CC1=CC(C(=O)[O-])=CC=C1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL300003862770	0	44	0.0	-74.82	333.58	8.20	-66.62
O=C([O-])C1=CC=C(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C(Cl)=C1	REAL300003862771	0	41	0.0	-73.75	339.03	8.49	-65.26
O=C([O-])C1CC2(C1)CC(C(=O)N[C@H]1C[C@@H]([NH+]3CCCC3)C1)C2	REAL300003862772	0	48	0.0	-74.42	366.99	8.81	-65.61
COC1=CC(C(=O)[O-])=NC(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)=C1	REAL300003862773	0	44	0.0	-59.48	345.32	5.11	-54.37
O=C([O-])CCC1=CC=C(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C=C1	REAL300003862774	0	47	0.0	-73.97	369.95	9.54	-64.43
O=C([O-])C1C(F)(F)C12CC(C(=O)N[C@H]1C[C@@H]([NH+]3CCCC3)C1)C2	REAL300003862775	0	45	0.0	-72.67	359.59	8.45	-64.22
CC1=C(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C=C(C(=O)[O-])S1	REAL300003862776	0	41	0.0	-63.85	326.69	7.36	-56.49
O=C([O-])C1=CC2=C(S1)SC(C(=O)N[C@H]1C[C@@H]([NH+]3CCCC3)C1)=C2	REAL300003862777	0	41	0.0	-75.71	356.36	8.56	-67.15
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)=C1	REAL300003862778	0	45	0.0	-77.96	355.53	7.16	-70.80
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL300003862779	0	44	0.0	-65.93	350.11	8.26	-57.67
O=C([O-])C1=C2C=C(C(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)SC2=CC=C1	REAL300003862780	0	44	0.0	-83.54	361.37	9.23	-74.31
O=C([O-])C1=NC=CC=C1CCC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL300003862781	0	46	0.0	-76.39	359.78	7.42	-68.97
O=C([O-])C1=CC=C(/C=C/C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C=C1	REAL300003862782	0	45	0.0	-78.35	360.88	9.14	-69.21
O=C([O-])C1(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)CC2(CCC2)C1	REAL300003862783	0	48	0.0	-55.18	356.55	8.74	-46.44
O=C([O-])C1=CSC2=C1NC(C(=O)N[C@H]1C[C@@H]([NH+]3CCCC3)C1)=C2	REAL300003862784	0	42	0.0	-64.71	351.34	6.98	-57.73
O=C([O-])C1=CC2=C(C=C(C(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)N2)S1	REAL300003862785	0	42	0.0	-76.20	342.85	6.68	-69.52
O=C([O-])C1=COC2=C1NC(C(=O)N[C@H]1C[C@@H]([NH+]3CCCC3)C1)=C2	REAL300003862786	0	42	0.0	-66.67	334.01	5.67	-61.00
CC1=C(C(=O)[O-])C=CC=C1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL300003862787	0	44	0.0	-81.81	336.27	8.52	-73.29
O=C([O-])C1=CC=C(C=CC(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C=N1	REAL300003862788	0	44	0.0	-79.56	356.84	7.40	-72.16
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1	REAL300003862789	0	46	0.0	-69.06	346.86	6.15	-62.91
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CC1=[NH+]C=CN1CCCC(=O)NC1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866041	1	43	0.0	-82.19	366.45	9.01	-73.18
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCCC[NH+]2CCOCC2)S1	REAL300003866042	1	49	0.0	-89.70	393.83	7.68	-82.02
CC[N@H+](CC1=CC=C(C(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1)C(C)C	REAL300003866045	0	54	0.0	-97.04	414.44	11.00	-86.04
CC[N@@H+](CC1=CC=C(C(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)C=C1)C(C)C	REAL300003866045	1	54	0.0	-93.59	413.27	10.76	-82.83
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300003866098	0	49	0.0	-84.59	400.12	10.56	-74.03
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300003866098	1	49	0.0	-83.87	400.52	10.55	-73.32
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)S1	REAL300003866099	0	50	0.0	-93.90	394.83	9.67	-84.23
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)S1	REAL300003866124	0	53	0.0	-86.91	392.22	7.93	-78.98
CCC(C(=O)NC1=NC(C(=O)[O-])=C(C(C)C)S1)[NH+](CC)CC	REAL300003866128	1	47	0.0	-72.88	357.01	8.10	-64.78
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)S1	REAL300003866162	0	44	0.0	-93.00	369.48	8.10	-84.90
CCC[NH+](CCC)CCCC(=O)NC1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866171	0	53	0.0	-85.04	413.57	9.98	-75.06
CC(C)C1=[NH+]C=CN1CC(=O)NC1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866186	1	43	0.0	-76.12	361.22	8.83	-67.29
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)S1	REAL300003866204	0	49	0.0	-97.02	398.49	10.72	-86.30
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)S1	REAL300003866212	0	52	0.0	-86.27	415.26	11.42	-74.85
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2(C[NH+](C)C)CC2)S1	REAL300003866218	0	42	0.0	-85.33	346.34	7.82	-77.51
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCCC[NH+](C)C)S1	REAL300003866227	0	44	0.0	-88.33	360.85	8.23	-80.10
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C(C(C)C)[NH+](C)C)S1	REAL300003866236	1	44	0.0	-77.97	338.01	7.52	-70.45
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)S1	REAL300003866259	0	52	0.0	-97.34	415.25	11.43	-85.91
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)S1	REAL300003866273	1	45	0.0	-88.46	378.86	8.19	-80.27
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)S1	REAL300003866274	0	48	0.0	-99.56	396.18	10.41	-89.15
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C[N@H+](C)CC(C)(C)C)S1	REAL300003866349	0	47	0.0	-80.22	364.15	8.61	-71.61
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C[N@@H+](C)CC(C)(C)C)S1	REAL300003866349	1	47	0.0	-80.10	361.74	8.49	-71.61
COCCOCC[N@H+](C)CCC(=O)NC1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866352	0	52	0.0	-84.49	423.80	6.72	-77.77
COCCOCC[N@@H+](C)CCC(=O)NC1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866352	1	52	0.0	-86.14	423.75	6.71	-79.43
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CC2(O)CCC[N@H+](C)C2)S1	REAL300003866357	0	46	0.0	-75.48	365.85	6.39	-69.09
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CC2(O)CCC[N@@H+](C)C2)S1	REAL300003866357	1	46	0.0	-75.96	355.95	6.22	-69.74
CCCCCC[N@H+](C)CC(=O)NC1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866381	0	50	0.0	-81.84	399.28	9.85	-71.99
CCCCCC[N@@H+](C)CC(=O)NC1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866381	1	50	0.0	-81.94	399.30	9.85	-72.09
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C23CCC[NH+]2CCC3)S1	REAL300003866391	1	43	0.0	-86.04	340.12	8.05	-77.99
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC3=C[NH+]=CN3C=C2)S1	REAL300003866399	1	37	0.0	-92.91	325.98	9.60	-83.31
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCN2CC[NH+](C(C)C)CC2)S1	REAL300003866429	0	53	0.0	-87.20	405.80	6.88	-80.32
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCCN2CC[NH+](C(C)C)CC2)S1	REAL300003866430	0	56	0.0	-83.64	432.41	8.07	-75.57
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)S1	REAL300003866430	1	56	0.0	-85.94	428.73	7.86	-78.08
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CCCC3CCC[N@@H+]32)S1	REAL300003866431	1	46	0.0	-72.67	359.89	8.93	-63.74
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CCCC3CCC[N@H+]32)S1	REAL300003866431	1	46	0.0	-78.82	352.26	8.64	-70.18
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CN(CC[NH+](C)C)N=C2)S1	REAL300003866433	0	45	0.0	-92.52	379.85	7.59	-84.93
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)S1	REAL300003866444	0	51	0.0	-85.23	411.63	9.51	-75.72
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)S1	REAL300003866444	1	51	0.0	-84.83	411.45	9.43	-75.40
CCCC(C(=O)NC1=NC(C(=O)[O-])=C(C(C)C)S1)[NH+](C)C	REAL300003866470	1	44	0.0	-76.87	346.40	7.85	-69.02
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300003866472	0	52	0.0	-89.40	418.68	11.25	-78.15
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300003866472	1	52	0.0	-91.02	421.05	11.32	-79.70
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=NN(CC[NH+](C)C)C=C2)S1	REAL300003866487	0	45	0.0	-101.15	380.22	7.60	-93.55
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=NN2CC[NH+](C)C)S1	REAL300003866488	0	45	0.0	-66.71	374.90	7.54	-59.17
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)S1	REAL300003866493	0	42	0.0	-86.15	332.96	7.23	-78.92
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)S1	REAL300003866493	1	42	0.0	-87.48	337.87	7.36	-80.12
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866495	1	46	0.0	-78.47	381.51	9.29	-69.18
CC[C@@H]1[C@@H](C(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)CC[N@@H+]1C	REAL300003866498	0	45	0.0	-86.04	352.99	7.77	-78.27
CC[C@@H]1[C@@H](C(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)CC[N@H+]1C	REAL300003866498	1	45	0.0	-85.24	356.55	8.12	-77.12
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)S1	REAL300003866500	1	46	0.0	-87.94	376.60	6.68	-81.26
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=NNC(C3CCC[N@H+]3C)=C2)S1	REAL300003866500	1	46	0.0	-92.14	381.31	7.16	-84.98
CC1=[NH+]C=CN1CC(=O)NC1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866518	1	37	0.0	-76.76	324.98	7.70	-69.06
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CC[N@@H+](C3CCCCC3)C2)S1	REAL300003866585	0	52	0.0	-83.93	401.42	10.04	-73.89
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CC[N@H+](C3CCCCC3)C2)S1	REAL300003866585	1	52	0.0	-82.19	401.00	10.04	-72.15
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCC2CCC[N@@H+]2C)S1	REAL300003866592	0	45	0.0	-82.68	357.35	8.12	-74.56
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCC2CCC[N@H+]2C)S1	REAL300003866592	1	45	0.0	-89.01	362.87	8.60	-80.41
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C23CCC[NH+](CCC2)C3)S1	REAL300003866605	0	46	0.0	-83.14	352.86	8.28	-74.86
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CCC3CCCC[N@@H+]32)S1	REAL300003866608	1	46	0.0	-75.63	363.38	9.05	-66.58
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CCC3CCCC[N@H+]32)S1	REAL300003866608	1	46	0.0	-75.64	363.42	9.02	-66.62
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C(C)(C)C[NH+]2CCOCC2)S1	REAL300003866615	1	49	0.0	-78.78	376.50	7.19	-71.59
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)S1	REAL300003866620	0	52	0.0	-96.28	419.51	8.91	-87.37
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)S1	REAL300003866620	1	52	0.0	-96.32	419.46	8.91	-87.41
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CC[NH+](C(C)C)CC2)S1	REAL300003866632	0	48	0.0	-87.84	374.35	8.94	-78.90
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C23CC[NH+](CC2)C3)S1	REAL300003866712	0	40	0.0	-87.28	327.01	6.64	-80.64
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C23CC[N@H+](C2)CCC3)S1	REAL300003866722	0	43	0.0	-85.25	337.24	7.30	-77.95
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C23CC[N@@H+](C2)CCC3)S1	REAL300003866722	1	43	0.0	-84.97	337.28	7.31	-77.66
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=CC(C[NH+](C)C)=C2)S1	REAL300003866771	0	45	0.0	-87.31	373.70	9.57	-77.74
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300003866772	0	52	0.0	-78.87	410.43	11.46	-67.41
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300003866772	1	52	0.0	-78.78	410.30	11.48	-67.30
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2([NH+](C)C)CCC2)S1	REAL300003866811	1	42	0.0	-88.90	326.35	7.54	-81.36
C#CC[NH+]1CCC(C(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)CC1	REAL300003866842	0	44	0.0	-90.49	364.71	8.90	-81.59
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=CC=C2C[NH+](C)C)S1	REAL300003866845	0	45	0.0	-61.57	364.96	9.85	-51.72
CC[NH+]1CCN(CCC(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)CC1	REAL300003866847	0	50	0.0	-88.62	393.01	6.60	-82.02
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C(C(C)C)[NH+]2CCCCC2)S1	REAL300003866848	1	51	0.0	-73.96	383.72	9.54	-64.42
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300003866853	0	50	0.0	-79.31	409.32	7.55	-71.76
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300003866853	1	50	0.0	-80.83	408.81	7.56	-73.27
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003866858	1	46	0.0	-77.70	380.98	9.25	-68.45
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)S1	REAL300003866860	0	48	0.0	-65.24	394.81	9.91	-55.33
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CCC[N@@H+]2C2CCCC2)S1	REAL300003866866	1	49	0.0	-83.42	372.10	9.12	-74.30
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CCC[N@H+]2C2CCCC2)S1	REAL300003866866	1	49	0.0	-80.50	381.84	9.44	-71.06
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)S1	REAL300003866940	1	50	0.0	-92.12	408.48	10.01	-82.11
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)S1	REAL300003866940	1	50	0.0	-92.07	408.59	10.00	-82.07
CC[NH+](CC)CC1=CC=C(C(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)O1	REAL300003866990	0	48	0.0	-92.12	390.97	8.97	-83.15
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)CCCC[NH+]2CCCC2)S1	REAL300003866991	0	48	0.0	-86.58	386.89	9.41	-77.17
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)[C@H](C(C)C)[NH+](C)C)S1	REAL300003867005	1	44	0.0	-78.09	342.98	8.11	-69.98
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=NOC(C[NH+](C)C)=C2)S1	REAL300003867052	1	41	0.0	-90.13	353.54	7.06	-83.07
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)S1	REAL300003867056	0	52	0.0	-88.09	421.38	11.20	-76.89
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)S1	REAL300003867056	1	52	0.0	-86.56	416.63	11.12	-75.44
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)COC2CC[NH+](C)CC2)S1	REAL300003867095	0	46	0.0	-93.72	375.42	8.14	-85.58
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)S1	REAL300003867100	0	49	0.0	-93.30	400.55	9.69	-83.61
CCC[N@@H+]1CCCC(C(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)C1	REAL300003867292	0	48	0.0	-72.95	372.94	9.31	-63.64
CCC[N@H+]1CCCC(C(=O)NC2=NC(C(=O)[O-])=C(C(C)C)S2)C1	REAL300003867292	1	48	0.0	-82.22	379.21	9.11	-73.11
CC(C)C[N@@H+]1CCCC1C(=O)NC1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867323	1	48	0.0	-81.49	369.85	9.19	-72.30
CC(C)C[N@H+]1CCCC1C(=O)NC1=NC(C(=O)[O-])=C(C(C)C)S1	REAL300003867323	1	48	0.0	-78.21	380.17	9.31	-68.90
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)S1	REAL300003867428	0	53	0.0	-94.36	424.14	11.55	-82.81
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)S1	REAL300003867428	1	53	0.0	-95.86	426.33	11.51	-84.35
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CCC[N@@H+](C(C)C)C2)S1	REAL300003867555	0	48	0.0	-80.94	374.47	8.87	-72.07
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CCC[N@H+](C(C)C)C2)S1	REAL300003867555	1	48	0.0	-73.13	368.22	9.07	-64.06
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2C[N@H+](C)CC2C(F)(F)F)S1	REAL300003867556	0	42	0.0	-88.15	352.88	7.57	-80.58
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2C[N@@H+](C)CC2C(F)(F)F)S1	REAL300003867556	1	42	0.0	-87.98	350.28	7.72	-80.26
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=CC(CC[NH+](C)C)=C2)S1	REAL300003868078	0	48	0.0	-88.96	396.19	10.41	-78.55
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(OCC[NH+](C)C)C=C2)S1	REAL300003868085	0	49	0.0	-97.71	403.72	9.40	-88.31
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)[C@H]2C[C@H]([NH+](C)C)C2)S1	REAL300003868223	0	42	0.0	-84.75	345.00	7.82	-76.93
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)S1	REAL300003868227	0	48	0.0	-76.61	367.78	8.77	-67.84
CC1=[NH+]C=C2C=CC(C(=O)NC3=NC(C(=O)[O-])=C(C(C)C)S3)=CN21	REAL300003868231	0	40	0.0	-81.42	347.13	9.36	-72.06
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CCC[N@H+](C)C2)S1	REAL300003868299	0	42	0.0	-71.97	333.80	7.91	-64.06
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2CCC[N@@H+](C)C2)S1	REAL300003868299	1	42	0.0	-72.14	333.86	7.91	-64.23
CC(C)C1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C[NH+](C)C)O2)S1	REAL300003868301	1	42	0.0	-94.56	359.03	7.81	-86.75
CC(C)N1C2=CC=CC=C2N=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003868427	1	49	0.0	-57.33	373.78	11.97	-45.36
CCC(C)C1=NC=C(NC(=O)CN2CCCC(C(=O)[O-])C2)C=N1	REAL300003868532	0	47	0.0	-50.86	354.92	6.65	-44.21
CCC(C)C1=NC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300003868532	1	47	0.0	-54.19	362.42	7.09	-47.10
CCC(C)C1=NC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300003868532	1	47	0.0	-50.86	354.92	6.65	-44.21
CC(C)CC1=NC=C(NC(=O)CN2CCCC(C(=O)[O-])C2)C=N1	REAL300003868638	0	47	0.0	-54.71	363.43	7.31	-47.40
CC(C)CC1=NC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300003868638	1	47	0.0	-54.16	363.24	7.24	-46.92
CC(C)CC1=NC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300003868638	1	47	0.0	-54.71	363.43	7.31	-47.40
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=NC3=CC=CC=C3N2C2CC2)C1	REAL300003868745	1	47	0.0	-56.83	369.64	11.96	-44.87
COCCN1C2=CC=CC=C2N=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003868865	1	50	0.0	-57.39	395.62	10.44	-46.95
CC(C)CCN1C2=CC=CC=C2N=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003868984	1	55	0.0	-57.66	422.52	13.44	-44.22
CN(C(=O)C1CC[NH+](C2CC2)CC1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869698	0	47	0.0	-66.83	367.77	10.54	-56.29
CN(C(=O)C[NH+](C)C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869740	0	36	0.0	-56.94	305.52	8.05	-48.89
CC(C(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1)N1CC[NH+](C)CC1	REAL300003869741	1	48	0.0	-68.72	376.61	7.73	-60.99
CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869757	0	43	0.0	-55.56	330.56	9.05	-46.51
CN(C(=O)[C@@H]1CCCC[N@H+]1C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869757	1	43	0.0	-51.14	342.01	9.50	-41.64
CN(C(=O)C1CC[NH+](C)CC1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869772	0	43	0.0	-69.52	341.52	9.35	-60.17
CN(C(=O)C1CCC[N@@H+]1C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869807	0	40	0.0	-55.27	324.14	8.73	-46.54
CN(C(=O)C1CCC[N@H+]1C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869807	1	40	0.0	-56.06	325.78	8.74	-47.32
CC1=[NH+]C=CN1CCCC(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869849	1	44	0.0	-63.54	372.81	10.89	-52.65
C[C@@H](C(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300003869852	0	39	0.0	-56.66	317.78	8.20	-48.46
CN(C(=O)[C@H]1CCC[N@@H+]1C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869853	0	40	0.0	-56.30	325.60	8.72	-47.58
CN(C(=O)[C@H]1CCC[N@H+]1C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869853	1	40	0.0	-57.14	321.00	8.46	-48.68
C[C@H](C(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300003869856	0	39	0.0	-56.12	318.42	8.29	-47.83
CCC(C(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1)[NH+](CC)CC	REAL300003869898	0	48	0.0	-50.78	364.61	9.98	-40.80
CN(C(=O)C1C[N@H+](C)CCO1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869906	1	41	0.0	-71.48	333.60	8.10	-63.38
CN(C(=O)C1C[N@@H+](C)CCO1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869906	1	41	0.0	-61.34	326.61	7.91	-53.43
CC(C)C1=[NH+]C=CN1CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869912	1	44	0.0	-56.61	370.89	10.92	-45.69
CN(C(=O)C1(C[NH+](C)C)CC1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869918	0	43	0.0	-70.30	352.83	9.48	-60.82
CN(C(=O)CCCC[NH+](C)C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869921	0	45	0.0	-68.41	370.88	10.23	-58.18
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869938	1	42	0.0	-55.25	351.92	8.51	-46.74
CCC[N@H+](C)CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869940	0	42	0.0	-60.16	343.99	9.30	-50.86
CCC[N@@H+](C)CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869940	1	42	0.0	-65.13	343.58	9.92	-55.21
CN(C(=O)C[N@H+](C)C1CCC1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869949	0	43	0.0	-53.94	347.37	9.84	-44.10
CN(C(=O)C[N@@H+](C)C1CCC1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869949	1	43	0.0	-55.74	349.29	10.30	-45.44
CN(C(=O)C[N@H+](C)CC(C)(C)C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869959	0	48	0.0	-58.30	375.63	10.79	-47.51
CN(C(=O)C[N@@H+](C)CC(C)(C)C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869959	1	48	0.0	-59.59	373.19	10.30	-49.29
CC[C@@H](C(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300003869960	0	42	0.0	-57.59	329.70	9.14	-48.45
CCCCCC[N@H+](C)CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869971	0	51	0.0	-61.15	408.48	11.64	-49.51
CCCCCC[N@@H+](C)CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869971	1	51	0.0	-56.83	405.45	11.60	-45.23
CN(C(=O)C1=CC2=C[NH+]=CN2C=C1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869979	1	38	0.0	-73.03	332.07	11.28	-61.75
CN(C(=O)C1CCCC2CCC[N@@H+]21)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869992	0	47	0.0	-51.65	366.73	10.67	-40.98
CN(C(=O)C1CCCC2CCC[N@H+]21)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003869992	1	47	0.0	-54.73	359.69	10.98	-43.75
C[C@@H]1[C@H](C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)CC[N@@H+]1C	REAL300003870006	0	43	0.0	-75.03	339.73	8.81	-66.22
C[C@@H]1[C@H](C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)CC[N@H+]1C	REAL300003870006	1	43	0.0	-66.45	344.70	10.22	-56.23
CC[C@@H]1[C@@H](C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)CC[N@@H+]1C	REAL300003870008	0	46	0.0	-65.44	359.88	10.11	-55.33
CC[C@@H]1[C@@H](C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)CC[N@H+]1C	REAL300003870008	1	46	0.0	-67.49	362.10	9.87	-57.62
CC1C[N@H+](C)CC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300003870012	1	44	0.0	-52.01	349.19	8.78	-43.23
CC1C[N@@H+](C)CC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300003870012	1	44	0.0	-70.00	355.54	8.92	-61.08
CN(C(=O)C[NH+]1CCCC1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870015	0	40	0.0	-55.28	325.21	8.87	-46.41
CC1=[NH+]C=CN1CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870017	1	38	0.0	-54.89	331.57	9.57	-45.32
CC(C[NH+]1CCOCC1)C(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870018	0	47	0.0	-56.37	371.78	8.49	-47.88
CC1CC[NH+](CC(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300003870035	0	46	0.0	-55.22	364.26	10.33	-44.89
CC[N@@H+]1CCOC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003870039	1	44	0.0	-62.30	345.30	8.69	-53.61
CC[N@H+]1CCOC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003870039	1	44	0.0	-59.93	344.39	8.55	-51.38
CN(C(=O)CCC1CCC[N@@H+]1C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870051	0	46	0.0	-65.17	368.12	10.87	-54.30
CN(C(=O)CCC1CCC[N@H+]1C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870051	1	46	0.0	-70.21	371.56	11.16	-59.05
CN(C(=O)C1CCC2CCCC[N@@H+]21)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870056	0	47	0.0	-52.40	369.76	10.81	-41.59
CN(C(=O)C1CCC2CCCC[N@H+]21)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870056	1	47	0.0	-52.61	366.66	11.35	-41.26
CC[NH+](CC)CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870063	0	42	0.0	-56.19	335.33	9.62	-46.57
CCC(C(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1)[NH+](C)C	REAL300003870095	0	42	0.0	-54.49	330.26	8.92	-45.57
CC1CCC(C)[NH+]1CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870115	0	46	0.0	-54.97	360.18	10.20	-44.77
C#CC[NH+]1CCC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300003870140	0	45	0.0	-69.94	365.73	10.41	-59.53
CC(C)[N@H+](C)CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870141	0	42	0.0	-61.93	338.77	9.70	-52.23
CC(C)[N@@H+](C)CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870141	1	42	0.0	-56.61	337.94	9.18	-47.43
CC[N@H+](CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1)C1CC1	REAL300003870148	0	43	0.0	-56.09	352.05	10.08	-46.01
CC[N@@H+](CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1)C1CC1	REAL300003870148	1	43	0.0	-52.86	345.97	9.64	-43.22
CC(C(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1)[NH+]1CCCCCC1	REAL300003870158	0	49	0.0	-52.26	368.40	10.28	-41.98
CN(C(=O)[C@@H]1CCC[N@@H+]1C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870160	0	40	0.0	-58.05	320.85	8.49	-49.56
CN(C(=O)[C@@H]1CCC[N@H+]1C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870160	1	40	0.0	-59.54	326.26	8.75	-50.79
CN(C(=O)CCCC[NH+]1CCCC1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870191	0	49	0.0	-74.15	395.68	11.86	-62.29
CN(C(=O)C1=NOC(C[NH+](C)C)=C1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870212	1	42	0.0	-78.63	361.38	9.89	-68.74
CC(C)[N@@H+]1CCCC1C(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870219	0	46	0.0	-53.07	351.21	10.01	-43.06
CC(C)[N@H+]1CCCC1C(=O)N(C)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870219	1	46	0.0	-54.42	356.92	9.88	-44.54
CN(C(=O)COC1CC[NH+](C)CC1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870228	0	47	0.0	-72.59	381.96	10.07	-62.52
CCC[N@@H+]1CCCC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003870286	0	49	0.0	-60.83	383.50	10.84	-49.99
CCC[N@H+]1CCCC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003870286	1	49	0.0	-52.53	376.77	11.53	-41.00
CN(C(=O)C[NH+]1CCC(CO)CC1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870297	1	47	0.0	-56.91	375.14	7.00	-49.91
CC(C)[N@@H+]1CCCC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003870359	0	49	0.0	-52.46	373.70	10.35	-42.11
CC(C)[N@H+]1CCCC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003870359	1	49	0.0	-61.06	375.34	10.38	-50.68
CC1=C(C)[NH+]=C(CCC(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)N1	REAL300003870370	1	44	0.0	-56.91	372.25	9.25	-47.66
CN(C(=O)[C@H]1C[C@H]([NH+](C)C)C1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870571	0	43	0.0	-68.27	353.44	10.36	-57.91
CN(C(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870575	0	49	0.0	-55.90	370.96	10.93	-44.97
CC[N@@H+]1CCCC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003870597	0	46	0.0	-70.26	360.83	10.54	-59.72
CC[N@H+]1CCCC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300003870597	1	46	0.0	-64.61	361.85	10.08	-54.53
CN(C(=O)C1CCC[N@H+](C)C1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870601	0	43	0.0	-56.85	337.10	9.64	-47.21
CN(C(=O)C1CCC[N@@H+](C)C1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870601	1	43	0.0	-64.24	344.43	9.48	-54.76
CN(C(=O)C1=CC=C(C[NH+](C)C)O1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870603	1	43	0.0	-74.50	366.21	9.95	-64.55
CN(C(=O)C12CC(C1)C[N@@H+]2C1CC1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870606	0	45	0.0	-65.69	355.23	10.97	-54.72
CN(C(=O)C12CC(C1)C[N@H+]2C1CC1)C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300003870606	1	45	0.0	-58.95	349.33	11.00	-47.95
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CC[NH+](C3CC3)CC2)S1	REAL300003872205	0	50	0.0	-71.56	392.28	9.18	-62.38
CC1=[NH+]C=C2CCC(C(=O)N3CCCC3C3=NC(C(=O)[O-])=C(C)S3)CN21	REAL300003872228	1	48	0.0	-64.87	391.36	8.99	-55.88
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C(C)N2CC[NH+](C)CC2)S1	REAL300003872282	1	51	0.0	-71.26	389.46	5.90	-65.36
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)S1	REAL300003872309	0	46	0.0	-70.32	362.03	7.91	-62.41
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)S1	REAL300003872309	1	46	0.0	-57.17	355.65	7.67	-49.50
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CC[NH+](C)CC2)S1	REAL300003872355	0	46	0.0	-74.30	362.97	7.78	-66.52
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CN3C=[NH+]C=C3C=C2)S1	REAL300003872382	0	41	0.0	-68.33	358.09	9.81	-58.52
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2(C[NH+](C)C)CCCCC2)S1	REAL300003872406	0	55	0.0	-90.61	398.11	9.50	-81.11
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CC[N@@H+](C)C2CCCCC2)S1	REAL300003872410	0	55	0.0	-71.47	421.15	10.02	-61.45
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CC[N@H+](C)C2CCCCC2)S1	REAL300003872410	1	55	0.0	-73.04	421.15	10.01	-63.03
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CCC[N@H+]2C)S1	REAL300003872422	0	43	0.0	-59.54	340.10	6.85	-52.69
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CCC[N@@H+]2C)S1	REAL300003872422	1	43	0.0	-73.97	341.35	6.90	-67.07
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CC[NH+](C)CC2)S1	REAL300003872467	0	46	0.0	-74.30	362.97	7.78	-66.52
CC1=[NH+]C=CN1CCCC(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1	REAL300003872502	1	47	0.0	-72.72	393.71	9.32	-63.40
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CCCC[NH+]2CCOCC2)S1	REAL300003872503	1	53	0.0	-78.20	421.01	8.01	-70.19
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)[C@H](C)[NH+](C)C)S1	REAL300003872507	0	42	0.0	-70.53	339.39	6.76	-63.77
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)[C@H]2CCC[N@H+]2C)S1	REAL300003872508	0	43	0.0	-59.21	340.14	6.84	-52.37
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)S1	REAL300003872508	1	43	0.0	-68.17	346.18	7.24	-60.93
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)[C@@H](C)[NH+](C)C)S1	REAL300003872511	0	42	0.0	-60.84	339.15	6.69	-54.15
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300003872542	0	53	0.0	-72.77	422.23	10.59	-62.18
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300003872542	1	53	0.0	-71.46	425.73	10.76	-60.70
CCC(C(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1)[NH+](CC)CC	REAL300003872566	0	51	0.0	-65.35	386.83	8.63	-56.72
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)S1	REAL300003872568	0	52	0.0	-71.67	416.37	10.34	-61.33
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)S1	REAL300003872568	1	52	0.0	-71.81	416.20	10.34	-61.47
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CC=C(C[NH+](C)C)N=C2)S1	REAL300003872581	0	48	0.0	-82.84	393.34	7.97	-74.87
CCC[NH+](CCC)CCCC(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1	REAL300003872584	0	57	0.0	-74.72	440.85	10.35	-64.37
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CN2C=C[NH+]=C2C(C)C)S1	REAL300003872593	1	47	0.0	-64.75	388.50	9.11	-55.64
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)S1	REAL300003872601	0	53	0.0	-83.26	411.66	10.19	-73.07
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2(C[NH+](C)C)CC2)S1	REAL300003872607	0	46	0.0	-81.35	369.75	7.95	-73.40
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CCCC[NH+](C)C)S1	REAL300003872612	0	48	0.0	-77.48	388.11	8.56	-68.92
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)S1	REAL300003872627	1	47	0.0	-86.39	391.39	7.86	-78.53
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=NOC(C[NH+]3CCCC3)=C2)S1	REAL300003872635	1	49	0.0	-80.42	403.22	8.72	-71.70
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CC=C(CC[NH+](C)C)C=C2)S1	REAL300003872636	0	52	0.0	-84.16	420.06	10.31	-73.85
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1	REAL300003872641	1	45	0.0	-67.43	371.40	6.98	-60.45
CCC[N@H+](C)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1	REAL300003872645	0	45	0.0	-67.22	361.99	7.80	-59.42
CCC[N@@H+](C)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1	REAL300003872645	1	45	0.0	-67.18	361.98	7.80	-59.38
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[N@@H+](C)C2CCC2)S1	REAL300003872658	0	46	0.0	-66.24	368.96	8.37	-57.87
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[N@H+](C)C2CCC2)S1	REAL300003872658	1	46	0.0	-64.46	368.86	8.36	-56.10
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[N@@H+](C)CC(C)(C)C)S1	REAL300003872677	0	51	0.0	-67.33	390.58	8.79	-58.54
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[N@H+](C)CC(C)(C)C)S1	REAL300003872677	1	51	0.0	-65.75	392.89	8.96	-56.79
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[N@H+](C)CCC2=CC=CC=C2)S1	REAL300003872679	0	52	0.0	-70.06	421.89	10.83	-59.23
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[N@@H+](C)CCC2=CC=CC=C2)S1	REAL300003872679	1	52	0.0	-69.81	421.89	10.83	-58.98
COCCOCC[N@H+](C)CCC(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1	REAL300003872680	0	56	0.0	-70.95	450.86	7.04	-63.91
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1	REAL300003872680	1	56	0.0	-75.63	450.92	7.05	-68.58
CC[C@@H](C(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1)[NH+](C)C	REAL300003872682	0	45	0.0	-72.40	353.84	7.46	-64.94
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CC2(O)CCC[N@@H+](C)C2)S1	REAL300003872684	0	50	0.0	-60.59	382.40	6.54	-54.05
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CC2(O)CCC[N@H+](C)C2)S1	REAL300003872684	1	50	0.0	-72.81	379.24	6.63	-66.18
CCCCCC[N@H+](C)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1	REAL300003872695	0	54	0.0	-68.34	426.47	10.14	-58.20
CCCCCC[N@@H+](C)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1	REAL300003872695	1	54	0.0	-68.19	426.48	10.14	-58.05
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CC3=C[NH+]=CN3C=C2)S1	REAL300003872710	1	41	0.0	-77.24	358.18	9.82	-67.42
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[N@@H+](C)C2CCSC2)S1	REAL300003872718	0	47	0.0	-68.09	382.24	8.63	-59.46
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[N@H+](C)C2CCSC2)S1	REAL300003872718	1	47	0.0	-72.72	382.02	8.64	-64.08
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CCN2CC[NH+](C(C)C)CC2)S1	REAL300003872733	0	57	0.0	-77.52	438.11	7.60	-69.92
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CCCC3CCC[N@@H+]32)S1	REAL300003872734	0	50	0.0	-63.52	381.79	8.89	-54.63
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CCCC3CCC[N@H+]32)S1	REAL300003872734	1	50	0.0	-63.33	381.68	8.90	-54.43
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CN(CC[NH+](C)C)N=C2)S1	REAL300003872735	0	49	0.0	-82.04	402.17	7.51	-74.53
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)S1	REAL300003872742	1	53	0.0	-67.36	416.36	10.71	-56.65
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)S1	REAL300003872742	1	53	0.0	-69.70	418.47	10.68	-59.02
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=NN(CC[NH+](C)C)C=C2)S1	REAL300003872767	0	49	0.0	-89.24	404.46	8.15	-81.09
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CC=NN2CC[NH+](C)C)S1	REAL300003872768	0	49	0.0	-67.82	397.22	7.57	-60.25
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)S1	REAL300003872770	0	46	0.0	-66.41	356.47	7.86	-58.55
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)S1	REAL300003872770	1	46	0.0	-70.49	363.01	7.70	-62.79
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1	REAL300003872771	1	50	0.0	-68.56	408.70	9.63	-58.93
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)CC[N@@H+]1C	REAL300003872774	0	49	0.0	-78.04	374.20	7.87	-70.17
CC[C@@H]1[C@@H](C(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)CC[N@H+]1C	REAL300003872774	1	49	0.0	-77.92	380.53	8.28	-69.64
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)S1	REAL300003872776	1	50	0.0	-85.70	404.30	7.65	-78.05
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)S1	REAL300003872776	1	50	0.0	-82.65	404.70	7.63	-75.02
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2C[N@@H+](C)CC(C)O2)S1	REAL300003872781	1	47	0.0	-87.13	376.34	7.36	-79.77
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2C[N@H+](C)CC(C)O2)S1	REAL300003872781	1	47	0.0	-76.53	375.50	7.33	-69.20
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[NH+]2CCCC2)S1	REAL300003872786	0	43	0.0	-65.60	347.50	7.46	-58.14
CC1=[NH+]C=CN1CC(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1	REAL300003872788	1	41	0.0	-67.40	352.15	8.00	-59.40
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C(C)C[NH+]2CCOCC2)S1	REAL300003872790	1	50	0.0	-68.48	395.12	7.00	-61.48
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[NH+]2CCC(C)CC2)S1	REAL300003872809	0	49	0.0	-67.17	385.32	8.86	-58.31
CC[N@@H+]1CCOC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)C1	REAL300003872820	1	47	0.0	-52.67	362.07	6.97	-45.70
CC[N@H+]1CCOC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)C1	REAL300003872820	1	47	0.0	-52.99	363.47	7.02	-45.97
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CC[N@@H+](C3CCCCC3)C2)S1	REAL300003872848	0	56	0.0	-68.88	424.91	10.17	-58.71
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CC[N@H+](C3CCCCC3)C2)S1	REAL300003872848	1	56	0.0	-73.24	423.96	10.14	-63.10
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CCC2CCC[N@H+]2C)S1	REAL300003872853	0	49	0.0	-71.57	384.51	8.43	-63.14
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CCC2CCC[N@@H+]2C)S1	REAL300003872853	1	49	0.0	-74.47	384.66	8.45	-66.02
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CCC3CCCC[N@@H+]32)S1	REAL300003872864	0	50	0.0	-66.12	388.67	9.19	-56.93
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CCC3CCCC[N@H+]32)S1	REAL300003872864	1	50	0.0	-65.88	388.75	9.20	-56.68
CC[NH+](CC)CC(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1	REAL300003872883	0	45	0.0	-67.06	354.35	7.47	-59.59
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CC[NH+](C(C)C)CC2)S1	REAL300003872885	0	52	0.0	-71.05	393.62	8.74	-62.31
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C23CC[NH+](CC2)C3)S1	REAL300003872949	0	44	0.0	-76.08	347.60	6.64	-69.44
CCC(C(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1)[NH+](C)C	REAL300003872952	0	45	0.0	-60.86	350.06	7.29	-53.57
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C23CC[N@H+](C2)CCC3)S1	REAL300003872959	0	47	0.0	-77.40	355.77	7.22	-70.18
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C23CC[N@@H+](C2)CCC3)S1	REAL300003872959	1	47	0.0	-77.47	355.56	7.22	-70.25
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[NH+]2C(C)CCC2C)S1	REAL300003872994	0	49	0.0	-64.08	379.39	8.26	-55.82
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CC=CC(C[NH+](C)C)=C2)S1	REAL300003872995	0	49	0.0	-82.25	397.52	9.46	-72.79
C#CC[NH+]1CCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)CC1	REAL300003873036	0	48	0.0	-76.67	387.62	8.93	-67.74
CC[NH+]1CCN(CCC(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)CC1	REAL300003873038	0	54	0.0	-79.08	421.37	7.09	-71.99
CCN1CC[NH+](CCC(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)CC1	REAL300003873038	1	54	0.0	-72.41	420.84	7.03	-65.38
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[N@@H+](C)C(C)C)S1	REAL300003873039	0	45	0.0	-64.06	357.17	7.60	-56.46
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[N@H+](C)C(C)C)S1	REAL300003873039	1	45	0.0	-64.30	357.17	7.58	-56.72
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CCN2C=C[NH+]=C2C(C)C)S1	REAL300003873043	1	50	0.0	-66.87	408.20	9.57	-57.30
CC[N@H+](CC(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1)C1CC1	REAL300003873049	0	46	0.0	-64.74	371.34	8.41	-56.33
CC[N@@H+](CC(=O)N1CCCC1C1=NC(C(=O)[O-])=C(C)S1)C1CC1	REAL300003873049	1	46	0.0	-64.02	367.94	8.15	-55.87
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C(C)[NH+]2CCCCCC2)S1	REAL300003873069	0	52	0.0	-65.17	389.78	8.77	-56.40
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)S1	REAL300003873072	0	43	0.0	-67.27	344.83	7.12	-60.15
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)S1	REAL300003873072	1	43	0.0	-59.60	341.43	6.90	-52.70
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[NH2+]C(C)(C)C)S1	REAL300003873126	0	45	0.0	-66.00	361.69	6.11	-59.89
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)O1	REAL300003873127	0	52	0.0	-84.11	415.60	9.36	-74.75
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)CCCC[NH+]2CCCC2)S1	REAL300003873128	0	52	0.0	-76.50	412.46	9.62	-66.88
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[N@@H+](C)CC2=CC=CC=C2)S1	REAL300003873130	1	49	0.0	-71.03	399.40	9.98	-61.05
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[N@H+](C)CC2=CC=CC=C2)S1	REAL300003873130	1	49	0.0	-70.02	399.47	9.98	-60.04
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)S1	REAL300003873152	1	44	0.0	-83.06	377.12	7.48	-75.58
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=NOC(C[NH+](C)C)=C2)S1	REAL300003873166	1	45	0.0	-81.69	377.89	7.60	-74.09
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CCC[N@H+]2C(C)C)S1	REAL300003873178	0	49	0.0	-58.92	360.26	8.83	-50.09
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CCC[N@@H+]2C(C)C)S1	REAL300003873178	1	49	0.0	-65.20	377.37	8.33	-56.87
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)COC2CC[NH+](C)CC2)S1	REAL300003873193	0	50	0.0	-83.50	402.69	8.54	-74.96
CCC[N@@H+]1CCCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)C1	REAL300003873309	0	52	0.0	-65.59	405.59	9.27	-56.32
CCC[N@H+]1CCCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)C1	REAL300003873309	1	52	0.0	-61.30	395.94	9.31	-51.99
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C[NH+]2CCC(CO)CC2)S1	REAL300003873327	1	50	0.0	-72.25	396.17	5.55	-66.70
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CCC[N@@H+](C(C)C)C2)S1	REAL300003873469	0	52	0.0	-70.95	395.98	8.87	-62.08
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CCC[N@H+](C(C)C)C2)S1	REAL300003873469	1	52	0.0	-65.22	400.72	9.05	-56.17
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2C[N@@H+](C)CC2C(F)(F)F)S1	REAL300003873470	0	46	0.0	-70.52	372.28	7.66	-62.86
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2C[N@H+](C)CC2C(F)(F)F)S1	REAL300003873470	1	46	0.0	-69.51	384.33	7.96	-61.55
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)N1	REAL300003873491	1	47	0.0	-66.52	392.99	7.71	-58.81
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CC=CC(CC[NH+](C)C)=C2)S1	REAL300003873810	0	52	0.0	-84.87	420.07	10.32	-74.55
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)[C@H]2C[C@H]([NH+](C)C)C2)S1	REAL300003873915	0	46	0.0	-79.28	370.45	8.05	-71.23
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)S1	REAL300003873919	0	52	0.0	-52.91	389.43	8.76	-44.15
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC3C3=NC(C(=O)[O-])=C(C)S3)=CN21	REAL300003873922	0	44	0.0	-66.27	379.48	9.58	-56.69
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CCC[N@@H+](CC(C)C)C2)S1	REAL300003873963	0	55	0.0	-72.69	419.74	9.84	-62.85
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CCC[N@H+](CC(C)C)C2)S1	REAL300003873963	1	55	0.0	-71.69	423.04	9.97	-61.72
CC[N@@H+]1CCCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)C1	REAL300003873964	0	49	0.0	-61.37	374.48	8.56	-52.81
CC[N@H+]1CCCC(C(=O)N2CCCC2C2=NC(C(=O)[O-])=C(C)S2)C1	REAL300003873964	1	49	0.0	-72.45	379.34	8.35	-64.10
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CCC[N@@H+](C)C2)S1	REAL300003873969	0	46	0.0	-60.61	355.55	7.87	-52.74
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2CCC[N@H+](C)C2)S1	REAL300003873969	1	46	0.0	-54.89	356.70	7.74	-47.15
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C2=CC=C(C[NH+](C)C)O2)S1	REAL300003873971	1	46	0.0	-87.08	384.31	8.28	-78.80
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C23CC(C2)C[N@@H+]3C2CC2)S1	REAL300003873979	1	48	0.0	-74.93	381.74	8.87	-66.06
CC1=C(C(=O)[O-])N=C(C2CCCN2C(=O)C23CC(C2)C[N@H+]3C2CC2)S1	REAL300003873979	1	48	0.0	-64.70	359.69	10.05	-54.65
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003875037	0	54	0.0	-78.95	414.50	9.75	-69.20
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CC[NH+](C2CC2)CC1	REAL300003876335	0	48	0.0	-74.01	367.32	7.58	-66.43
CC1=[NH+]C=C2CCC(C(=O)N3CCCC3C(=O)NCC(=O)[O-])CN21	REAL300003876362	1	46	0.0	-63.74	364.67	6.75	-56.99
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC3C(=O)NCC(=O)[O-])CC2)=CS1	REAL300003876425	1	53	0.0	-73.81	418.69	7.44	-66.37
CC(C(=O)N1CCCC1C(=O)NCC(=O)[O-])N1CC[NH+](C)CC1	REAL300003876426	1	49	0.0	-70.20	370.33	4.54	-65.66
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC2C(=O)NCC(=O)[O-])C=C1	REAL300003876497	0	57	0.0	-78.38	448.99	9.23	-69.15
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300003876554	0	39	0.0	-72.34	329.62	8.06	-64.28
C[NH+](C)CC1(C(=O)N2CCCC2C(=O)NCC(=O)[O-])CCCCC1	REAL300003876582	0	53	0.0	-65.80	358.27	7.55	-58.25
C[N@H+](CCC(=O)N1CCCC1C(=O)NCC(=O)[O-])C1CCCCC1	REAL300003876586	0	53	0.0	-71.57	392.38	8.34	-63.23
C[N@@H+](CCC(=O)N1CCCC1C(=O)NCC(=O)[O-])C1CCCCC1	REAL300003876586	1	53	0.0	-70.72	393.35	8.05	-62.67
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003876646	0	47	0.0	-82.16	380.82	6.81	-75.35
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003876661	0	55	0.0	-80.19	405.40	6.77	-73.42
CC1=[NH+]C=CN1CCCC(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003876688	1	45	0.0	-67.91	365.90	7.39	-60.52
O=C([O-])CNC(=O)C1CCCN1C(=O)CCCC[NH+]1CCOCC1	REAL300003876689	1	51	0.0	-76.05	393.21	6.07	-69.98
CC[N@H+](CC1=CC=C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C=C1)C(C)C	REAL300003876690	0	56	0.0	-54.10	410.91	7.94	-46.16
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C=C1)C(C)C	REAL300003876690	1	56	0.0	-81.84	408.68	9.03	-72.81
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003876713	0	51	0.0	-70.64	394.80	9.01	-61.63
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003876713	1	51	0.0	-70.30	397.67	8.77	-61.53
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003876714	0	52	0.0	-80.03	393.22	8.15	-71.88
O=C([O-])CNC(=O)C1CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300003876742	0	55	0.0	-72.62	391.04	6.33	-66.29
CCC(C(=O)N1CCCC1C(=O)NCC(=O)[O-])[NH+](CC)CC	REAL300003876746	0	49	0.0	-57.51	356.35	6.21	-51.30
CC(C(=O)N1CCCC1C(=O)NCC(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003876748	1	50	0.0	-68.74	388.57	8.37	-60.37
CC(C(=O)N1CCCC1C(=O)NCC(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003876748	1	50	0.0	-65.84	387.09	8.54	-57.30
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003876755	0	57	0.0	-74.99	434.20	10.23	-64.76
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003876755	1	57	0.0	-73.69	433.22	10.49	-63.20
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C=N1	REAL300003876769	0	46	0.0	-79.06	366.30	5.18	-73.88
CCC[NH+](CCC)CCCC(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003876775	0	55	0.0	-71.05	417.49	8.68	-62.37
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003876783	1	45	0.0	-62.09	360.59	7.19	-54.90
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003876797	0	51	0.0	-58.74	394.83	7.75	-50.99
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003876802	0	54	0.0	-76.10	410.67	9.55	-66.55
CCN1CCC([NH+]2CCC(C(=O)N3CCCC3C(=O)NCC(=O)[O-])CC2)CC1	REAL300003876807	0	62	0.0	-76.80	448.26	7.46	-69.34
O=C([O-])CNC(=O)C1CCCN1C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003876826	1	55	0.0	-84.34	421.86	8.92	-75.42
O=C([O-])CNC(=O)C1CCCN1C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003876826	1	55	0.0	-82.99	421.53	9.04	-73.95
CC1=C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003876838	1	45	0.0	-81.22	366.39	6.09	-75.13
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003876841	0	54	0.0	-59.95	411.56	8.46	-51.49
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003876852	1	47	0.0	-78.11	373.91	7.05	-71.06
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C=C1	REAL300003876853	0	50	0.0	-61.90	392.48	7.45	-54.45
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003876859	1	43	0.0	-63.93	342.65	5.45	-58.48
O=C([O-])CNC(=O)C1CCCN1C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003876860	1	52	0.0	-83.54	405.50	7.89	-75.65
O=C([O-])CNC(=O)C1CCCN1C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003876860	1	52	0.0	-84.85	404.99	8.23	-76.62
C[N@H+](CC(=O)N1CCCC1C(=O)NCC(=O)[O-])CC(C)(C)C	REAL300003876909	0	49	0.0	-65.50	362.66	6.84	-58.66
C[N@@H+](CC(=O)N1CCCC1C(=O)NCC(=O)[O-])CC(C)(C)C	REAL300003876909	1	49	0.0	-64.80	364.97	6.99	-57.81
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003876911	1	50	0.0	-68.50	393.97	8.86	-59.64
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003876911	1	50	0.0	-68.47	393.96	8.85	-59.62
COCCOCC[N@H+](C)CCC(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003876912	0	54	0.0	-70.73	423.10	5.09	-65.64
COCCOCC[N@@H+](C)CCC(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003876912	1	54	0.0	-72.62	423.02	5.13	-67.49
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC2C(=O)NCC(=O)[O-])C1	REAL300003876915	0	48	0.0	-66.15	354.74	4.59	-61.56
C[N@H+]1CCCC(O)(CC(=O)N2CCCC2C(=O)NCC(=O)[O-])C1	REAL300003876915	1	48	0.0	-70.41	351.72	4.66	-65.75
CCCCCC[N@H+](C)CC(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003876926	0	52	0.0	-66.64	398.56	8.17	-58.47
CCCCCC[N@@H+](C)CC(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003876926	1	52	0.0	-66.73	398.55	8.17	-58.56
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300003876940	1	39	0.0	-77.38	329.69	8.08	-69.30
C[N@H+](CC(=O)N1CCCC1C(=O)NCC(=O)[O-])C1CCSC1	REAL300003876956	0	45	0.0	-69.89	354.29	6.63	-63.26
C[N@@H+](CC(=O)N1CCCC1C(=O)NCC(=O)[O-])C1CCSC1	REAL300003876956	1	45	0.0	-70.03	354.17	6.65	-63.38
CC(C)[NH+]1CCN(CCC(=O)N2CCCC2C(=O)NCC(=O)[O-])CC1	REAL300003876969	0	55	0.0	-73.22	410.18	5.70	-67.52
CC(C)N1CC[NH+](CCC(=O)N2CCCC2C(=O)NCC(=O)[O-])CC1	REAL300003876969	1	55	0.0	-70.39	408.70	5.89	-64.50
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC2C(=O)NCC(=O)[O-])CC1	REAL300003876970	0	58	0.0	-69.81	425.72	6.34	-63.47
CC(C)N1CC[NH+](CCCC(=O)N2CCCC2C(=O)NCC(=O)[O-])CC1	REAL300003876970	1	58	0.0	-71.95	427.35	6.51	-65.44
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CCCC2CCC[N@@H+]21	REAL300003876971	0	48	0.0	-68.81	350.12	7.09	-61.72
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CCCC2CCC[N@H+]21	REAL300003876971	1	48	0.0	-62.01	350.73	6.48	-55.53
C[NH+](C)CCN1C=C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C=N1	REAL300003876973	0	47	0.0	-79.35	374.52	5.18	-74.17
O=C([O-])CNC(=O)C1CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003876977	0	56	0.0	-74.29	426.79	8.07	-66.22
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003876979	0	53	0.0	-70.90	399.27	7.91	-62.99
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003876979	1	53	0.0	-70.42	398.67	7.70	-62.72
CC(C(=O)N1CCCC1C(=O)NCC(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003876984	1	51	0.0	-66.60	385.79	8.60	-58.00
CC(C(=O)N1CCCC1C(=O)NCC(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003876984	1	51	0.0	-67.97	388.94	9.07	-58.90
O=C([O-])CNC(=O)C1CCCN1C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003877004	0	54	0.0	-75.52	416.67	9.89	-65.63
O=C([O-])CNC(=O)C1CCCN1C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003877004	1	54	0.0	-75.90	421.36	9.70	-66.20
C[NH+](C)CCN1C=CC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])=N1	REAL300003877017	0	47	0.0	-91.39	375.12	6.49	-84.90
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003877018	0	47	0.0	-62.32	367.48	5.93	-56.39
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003877019	1	48	0.0	-64.91	379.94	7.89	-57.02
CC[C@@H]1[C@@H](C(=O)N2CCCC2C(=O)NCC(=O)[O-])CC[N@@H+]1C	REAL300003877022	0	47	0.0	-73.56	347.35	5.95	-67.61
CC[C@@H]1[C@@H](C(=O)N2CCCC2C(=O)NCC(=O)[O-])CC[N@H+]1C	REAL300003877022	1	47	0.0	-66.64	352.08	6.42	-60.22
C[N@@H+]1CCCC1C1=CC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])=NN1	REAL300003877025	1	48	0.0	-81.65	376.21	6.03	-75.62
C[N@H+]1CCCC1C1=CC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])=NN1	REAL300003877025	1	48	0.0	-80.28	379.20	4.85	-75.43
CC1C[N@H+](C)CC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])O1	REAL300003877032	1	45	0.0	-79.19	342.21	5.21	-73.98
CC1C[N@@H+](C)CC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])O1	REAL300003877032	1	45	0.0	-85.48	341.42	5.24	-80.24
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003877036	0	54	0.0	-71.16	410.76	9.74	-61.42
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003877036	1	54	0.0	-65.36	410.16	9.53	-55.83
CC(C[NH+]1CCOCC1)C(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003877041	1	48	0.0	-71.23	361.86	4.91	-66.32
O=C([O-])CNC(=O)C1CCCN1C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003877042	0	55	0.0	-73.27	424.51	7.49	-65.78
CC1CC[NH+](CC(=O)N2CCCC2C(=O)NCC(=O)[O-])CC1	REAL300003877052	0	47	0.0	-66.12	357.41	6.90	-59.22
CC[N@@H+]1CCOC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C1	REAL300003877065	1	45	0.0	-62.86	337.49	4.99	-57.87
CC[N@H+]1CCOC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C1	REAL300003877065	1	45	0.0	-83.40	344.58	5.34	-78.06
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003877097	0	54	0.0	-72.17	396.60	8.41	-63.76
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003877097	1	54	0.0	-71.22	399.13	8.46	-62.76
C[N@@H+]1CCCC1CCC(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003877103	0	47	0.0	-75.37	362.40	6.95	-68.42
C[N@H+]1CCCC1CCC(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003877103	1	47	0.0	-70.27	356.89	6.47	-63.80
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CCC2CCCC[N@@H+]21	REAL300003877115	0	48	0.0	-61.54	354.98	6.82	-54.72
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CCC2CCCC[N@H+]21	REAL300003877115	1	48	0.0	-62.64	359.00	7.46	-55.18
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC3C(=O)NCC(=O)[O-])=C2)CC1	REAL300003877129	0	56	0.0	-76.51	427.76	7.12	-69.39
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC3C(=O)NCC(=O)[O-])C=C2)CC1	REAL300003877130	0	56	0.0	-80.39	427.57	7.16	-73.23
CN1CC[NH+](CC2=CC=C(C(=O)N3CCCC3C(=O)NCC(=O)[O-])C=C2)CC1	REAL300003877130	1	56	0.0	-60.19	428.08	5.90	-54.29
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C=C1	REAL300003877131	0	57	0.0	-78.36	430.94	8.01	-70.35
CC(C)[NH+]1CCC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])CC1	REAL300003877139	0	50	0.0	-73.59	368.65	7.13	-66.46
O=C([O-])CNC(=O)C1CCCN1C(=O)C12CC[N@H+](C1)CCC2	REAL300003877212	0	45	0.0	-73.92	327.44	5.45	-68.47
O=C([O-])CNC(=O)C1CCCN1C(=O)C12CC[N@@H+](C1)CCC2	REAL300003877212	1	45	0.0	-78.53	326.72	4.91	-73.62
CC1CCC(C)[NH+]1CC(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003877252	0	47	0.0	-61.49	348.80	6.24	-55.25
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])=C1	REAL300003877253	0	47	0.0	-77.85	369.14	7.70	-70.15
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003877254	0	54	0.0	-66.41	416.64	9.21	-57.20
O=C([O-])CNC(=O)C1CCCN1C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003877254	1	54	0.0	-66.42	416.47	9.21	-57.21
C#CC[NH+]1CCC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])CC1	REAL300003877306	0	46	0.0	-77.12	363.17	7.37	-69.75
CC[NH+]1CCN(CCC(=O)N2CCCC2C(=O)NCC(=O)[O-])CC1	REAL300003877308	0	52	0.0	-74.73	393.43	5.19	-69.54
CCN1CC[NH+](CCC(=O)N2CCCC2C(=O)NCC(=O)[O-])CC1	REAL300003877308	1	52	0.0	-70.32	392.08	5.36	-64.96
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003877315	1	48	0.0	-64.24	380.35	7.61	-56.63
CC(C(=O)N1CCCC1C(=O)NCC(=O)[O-])[NH+]1CCCCCC1	REAL300003877346	0	50	0.0	-60.23	361.88	6.41	-53.82
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3C(=O)NCC(=O)[O-])=CC=C1N2	REAL300003877380	1	52	0.0	-67.38	405.30	6.98	-60.40
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3C(=O)NCC(=O)[O-])=CC=C1N2	REAL300003877380	1	52	0.0	-93.57	403.11	8.39	-85.18
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])O1	REAL300003877422	0	50	0.0	-82.13	386.30	7.72	-74.41
O=C([O-])CNC(=O)C1CCCN1C(=O)CCCC[NH+]1CCCC1	REAL300003877423	0	50	0.0	-73.15	385.33	8.04	-65.11
CC1=CC=C(N2CCC(C(=O)N3CCCC3C(=O)NCC(=O)[O-])CC2)[NH+]=C1	REAL300003877425	1	53	0.0	-73.22	404.58	7.26	-65.96
C[N@H+](CC(=O)N1CCCC1C(=O)NCC(=O)[O-])CC1=CC=CC=C1	REAL300003877426	1	47	0.0	-69.78	371.49	8.01	-61.77
C[N@@H+](CC(=O)N1CCCC1C(=O)NCC(=O)[O-])CC1=CC=CC=C1	REAL300003877426	1	47	0.0	-69.61	371.54	8.01	-61.60
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003877445	1	42	0.0	-78.45	349.50	5.13	-73.32
C[NH+](C)CC1=CC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])=NO1	REAL300003877468	1	43	0.0	-80.09	351.54	4.81	-75.28
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003877472	0	54	0.0	-78.78	413.90	9.51	-69.27
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003877472	1	54	0.0	-79.83	415.72	9.34	-70.49
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003877488	0	47	0.0	-63.10	335.51	6.21	-56.89
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)[O-]	REAL300003877488	1	47	0.0	-63.48	348.58	6.59	-56.89
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC2C(=O)NCC(=O)[O-])C=C1	REAL300003877495	0	55	0.0	-83.28	437.97	8.09	-75.19
C[NH+]1CCC(OCC(=O)N2CCCC2C(=O)NCC(=O)[O-])CC1	REAL300003877509	0	48	0.0	-79.25	374.88	6.40	-72.85
O=C([O-])CNC(=O)C1CCCN1C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003877514	0	51	0.0	-82.89	395.54	8.40	-74.49
CCC[N@@H+]1CCCC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C1	REAL300003877660	0	50	0.0	-61.03	366.48	6.97	-54.06
CCC[N@H+]1CCCC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C1	REAL300003877660	1	50	0.0	-60.96	366.44	6.97	-53.99
O=C([O-])CNC(=O)C1CCCN1C(=O)C[NH+]1CCC(CO)CC1	REAL300003877688	1	48	0.0	-70.07	367.38	3.80	-66.27
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C1	REAL300003877870	0	50	0.0	-59.65	362.66	7.29	-52.36
CC(C)[N@H+]1CCCC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C1	REAL300003877870	1	50	0.0	-67.63	371.30	7.29	-60.34
C[N@@H+]1CC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C(C(F)(F)F)C1	REAL300003877871	0	44	0.0	-80.46	354.02	6.22	-74.24
C[N@H+]1CC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C(C(F)(F)F)C1	REAL300003877871	1	44	0.0	-80.30	353.36	6.22	-74.08
CC1=C(C)[NH+]=C(CCC(=O)N2CCCC2C(=O)NCC(=O)[O-])N1	REAL300003877893	1	45	0.0	-64.55	365.16	5.77	-58.78
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])=C1	REAL300003878285	0	50	0.0	-66.63	387.30	7.22	-59.41
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C=C1	REAL300003878293	0	51	0.0	-61.14	399.86	6.38	-54.76
O=C([O-])CNC(=O)C1CCCN1C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003878386	0	57	0.0	-72.49	434.51	10.40	-62.09
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC3C(=O)NCC(=O)[O-])C=C2)CCO1	REAL300003878388	1	55	0.0	-84.54	416.32	7.90	-76.64
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC3C(=O)NCC(=O)[O-])C=C2)CCO1	REAL300003878388	1	55	0.0	-83.23	417.34	7.33	-75.90
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC2C(=O)NCC(=O)[O-])CC1	REAL300003878419	0	50	0.0	-66.95	363.77	6.57	-60.38
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC3C(=O)NCC(=O)[O-])=CN21	REAL300003878423	0	42	0.0	-68.59	351.00	7.84	-60.75
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C1	REAL300003878473	0	53	0.0	-67.94	390.75	8.15	-59.79
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C1	REAL300003878473	1	53	0.0	-72.61	395.18	8.47	-64.14
CC[N@@H+]1CCCC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C1	REAL300003878474	0	47	0.0	-60.04	346.16	6.86	-53.18
CC[N@H+]1CCCC(C(=O)N2CCCC2C(=O)NCC(=O)[O-])C1	REAL300003878474	1	47	0.0	-58.93	344.90	6.53	-52.40
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C(=O)NCC(=O)[O-])O1	REAL300003878480	1	44	0.0	-84.49	353.95	6.54	-77.95
O=C([O-])CNC(=O)C1CCCN1C(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003878487	1	46	0.0	-69.14	356.14	6.71	-62.43
O=C([O-])CNC(=O)C1CCCN1C(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300003878487	1	46	0.0	-70.39	334.98	7.64	-62.75
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C[NH+](C)C)=C1	REAL300003878717	0	40	0.0	-58.05	321.62	7.78	-50.27
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)=C1	REAL300003878722	0	47	0.0	-56.50	358.74	8.39	-48.11
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)[C@@H]2CCCC[N@H+]2C)=C1	REAL300003878722	1	47	0.0	-60.20	365.73	8.78	-51.42
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C2CC[NH+](C)CC2)=C1	REAL300003878727	0	47	0.0	-62.09	368.48	8.63	-53.46
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C2CCC[N@@H+]2C)=C1	REAL300003878743	0	44	0.0	-59.51	353.43	8.22	-51.29
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C2CCC[N@H+]2C)=C1	REAL300003878743	1	44	0.0	-58.52	352.86	8.14	-50.38
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C2CC[NH+](C)CC2)=C1	REAL300003878756	0	47	0.0	-62.09	368.48	8.63	-53.46
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)[C@H](C)[NH+](C)C)=C1	REAL300003878768	0	43	0.0	-59.77	345.09	7.53	-52.24
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)[C@H]2CCC[N@@H+]2C)=C1	REAL300003878769	0	44	0.0	-61.11	354.09	8.11	-53.00
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)[C@H]2CCC[N@H+]2C)=C1	REAL300003878769	1	44	0.0	-61.81	345.29	7.70	-54.11
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)[C@@H](C)[NH+](C)C)=C1	REAL300003878772	0	43	0.0	-60.04	344.87	7.48	-52.56
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C2(C[NH+](C)C)CC2)=C1	REAL300003878804	0	47	0.0	-61.42	374.03	9.13	-52.29
CCC[N@H+](C)CC(=O)N(C)C(C(=O)[O-])C1=CC(OC)=CC=C1Br	REAL300003878809	0	46	0.0	-58.81	360.39	9.14	-49.67
CCC[N@@H+](C)CC(=O)N(C)C(C(=O)[O-])C1=CC(OC)=CC=C1Br	REAL300003878809	1	46	0.0	-60.73	369.12	8.63	-52.10
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C[N@H+](C)C2CCC2)=C1	REAL300003878812	0	47	0.0	-58.77	375.00	9.13	-49.64
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C[N@@H+](C)C2CCC2)=C1	REAL300003878812	1	47	0.0	-57.60	375.06	9.29	-48.31
CC[C@@H](C(=O)N(C)C(C(=O)[O-])C1=CC(OC)=CC=C1Br)[NH+](C)C	REAL300003878815	0	46	0.0	-60.30	356.51	8.19	-52.11
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)=C1	REAL300003878830	0	47	0.0	-67.28	364.29	8.24	-59.04
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)=C1	REAL300003878830	1	47	0.0	-71.32	360.76	8.64	-62.68
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C[NH+]2CCCC2)=C1	REAL300003878832	0	44	0.0	-57.20	347.68	8.93	-48.27
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)CN2C=C[NH+]=C2C)=C1	REAL300003878833	1	42	0.0	-60.79	358.83	8.88	-51.91
CC[NH+](CC)CC(=O)N(C)C(C(=O)[O-])C1=CC(OC)=CC=C1Br	REAL300003878847	0	46	0.0	-57.13	366.91	8.99	-48.14
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C23CC[NH+](CC2)C3)=C1	REAL300003878851	0	45	0.0	-69.27	348.48	7.33	-61.94
CCC(C(=O)N(C)C(C(=O)[O-])C1=CC(OC)=CC=C1Br)[NH+](C)C	REAL300003878853	0	46	0.0	-51.56	346.25	8.53	-43.03
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C[N@H+](C)C(C)C)=C1	REAL300003878865	0	46	0.0	-58.53	365.27	8.56	-49.97
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C[N@@H+](C)C(C)C)=C1	REAL300003878865	1	46	0.0	-58.58	365.47	8.55	-50.03
CC[N@H+](CC(=O)N(C)C(C(=O)[O-])C1=CC(OC)=CC=C1Br)C1CC1	REAL300003878868	0	47	0.0	-55.34	367.01	9.57	-45.77
CC[N@@H+](CC(=O)N(C)C(C(=O)[O-])C1=CC(OC)=CC=C1Br)C1CC1	REAL300003878868	1	47	0.0	-58.30	375.75	9.23	-49.07
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)[C@@H]2CCC[N@@H+]2C)=C1	REAL300003878871	0	44	0.0	-63.64	341.97	7.43	-56.21
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)[C@@H]2CCC[N@H+]2C)=C1	REAL300003878871	1	44	0.0	-57.82	343.07	8.63	-49.19
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C[NH2+]C(C)(C)C)=C1	REAL300003878880	0	46	0.0	-55.08	361.32	7.62	-47.46
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)[C@H]2C[C@H]([NH+](C)C)C2)=C1	REAL300003878972	0	47	0.0	-72.65	379.94	9.12	-63.53
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C2CCC[N@H+](C)C2)=C1	REAL300003878977	0	47	0.0	-68.19	370.41	8.75	-59.44
COC1=CC=C(Br)C(C(C(=O)[O-])N(C)C(=O)C2CCC[N@@H+](C)C2)=C1	REAL300003878977	1	47	0.0	-55.27	362.00	8.79	-46.48
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)=C1	REAL300003879843	0	57	0.0	-64.89	423.78	11.48	-53.41
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CC[NH+](C3CC3)CC2)=C1	REAL300003880987	0	51	0.0	-71.39	377.44	9.40	-61.99
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC3=C[NH+]=C(C)N3C2)=C1	REAL300003881011	1	49	0.0	-53.87	370.97	8.90	-44.97
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C(C)N2CC[NH+](C)CC2)=C1	REAL300003881077	1	52	0.0	-72.68	384.82	6.40	-66.28
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)=C1	REAL300003881107	0	47	0.0	-58.70	338.05	7.63	-51.07
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[C@@H]2CCCC[N@H+]2C)=C1	REAL300003881107	1	47	0.0	-54.98	350.07	8.12	-46.86
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CC[NH+](C)CC2)=C1	REAL300003881174	0	47	0.0	-73.62	349.85	8.03	-65.59
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CN3C=[NH+]C=C3C=C2)=C1	REAL300003881201	0	42	0.0	-74.74	345.96	10.54	-64.20
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2(C[NH+](C)C)CCCCC2)=C1	REAL300003881230	0	56	0.0	-54.15	385.76	9.69	-44.46
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CC[N@H+](C)C2CCCCC2)=C1	REAL300003881234	0	56	0.0	-66.64	407.86	10.16	-56.48
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CC[N@@H+](C)C2CCCCC2)=C1	REAL300003881234	1	56	0.0	-71.57	411.31	10.18	-61.39
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC[N@@H+]2C)=C1	REAL300003881247	0	44	0.0	-58.57	332.32	7.40	-51.17
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC[N@H+]2C)=C1	REAL300003881247	1	44	0.0	-59.39	333.98	7.42	-51.97
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CC[NH+](C)CC2)=C1	REAL300003881294	0	47	0.0	-73.62	349.85	8.03	-65.59
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)=C1	REAL300003881297	0	50	0.0	-85.95	397.90	9.41	-76.54
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC([NH+]3CCOCC3)CC2)=C1	REAL300003881308	0	58	0.0	-66.21	407.21	8.32	-57.89
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCCN2C=C[NH+]=C2C)=C1	REAL300003881340	1	48	0.0	-67.61	380.42	9.47	-58.14
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCCC[NH+]2CCOCC2)=C1	REAL300003881341	1	54	0.0	-78.00	411.70	8.48	-69.52
CC[N@H+](CC1=CC=C(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1)C(C)C	REAL300003881343	0	59	0.0	-80.08	426.36	11.18	-68.90
CC[N@@H+](CC1=CC=C(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1)C(C)C	REAL300003881343	1	59	0.0	-82.48	428.28	11.33	-71.15
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[C@H]2CCC[N@@H+]2C)=C1	REAL300003881346	0	44	0.0	-59.22	333.82	7.41	-51.81
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[C@H]2CCC[N@H+]2C)=C1	REAL300003881346	1	44	0.0	-55.27	328.99	7.12	-48.15
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300003881382	0	54	0.0	-66.80	411.34	10.95	-55.85
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300003881382	1	54	0.0	-68.18	413.68	11.04	-57.14
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CC[NH+](C3CCSC3)CC2)=C1	REAL300003881383	0	55	0.0	-67.42	402.51	9.88	-57.54
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CC2([NH+]3CCOCC3)CCCC2)=C1	REAL300003881407	0	58	0.0	-65.87	410.46	8.62	-57.25
CCC(C(=O)N(C)C(C(=O)[O-])C1=CC=CC(OC)=C1)[NH+](CC)CC	REAL300003881411	0	52	0.0	-57.52	371.28	8.64	-48.88
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)=C1	REAL300003881413	0	53	0.0	-58.06	401.27	10.56	-47.50
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300003881413	1	53	0.0	-58.87	403.54	10.52	-48.35
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C(C[NH+](C)C)N=C2)=C1	REAL300003881433	0	49	0.0	-74.19	383.53	8.99	-65.20
CCC[NH+](CCC)CCCC(=O)N(C)C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003881437	0	58	0.0	-70.02	428.28	10.56	-59.46
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2C[N@H+](C)CCO2)=C1	REAL300003881439	1	45	0.0	-65.95	334.88	6.62	-59.33
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2C[N@@H+](C)CCO2)=C1	REAL300003881439	1	45	0.0	-57.97	337.63	7.22	-50.75
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CN2C=C[NH+]=C2C(C)C)=C1	REAL300003881446	1	48	0.0	-60.65	379.11	9.59	-51.06
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)=C1	REAL300003881461	0	54	0.0	-83.52	410.82	10.96	-72.56
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)=C1	REAL300003881466	0	57	0.0	-82.44	429.22	12.18	-70.26
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2(C[NH+](C)C)CC2)=C1	REAL300003881469	0	47	0.0	-72.56	359.57	8.74	-63.82
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCCC[NH+](C)C)=C1	REAL300003881477	0	49	0.0	-73.98	374.89	8.71	-65.27
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)=C1	REAL300003881498	1	48	0.0	-80.20	380.40	8.14	-72.06
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)=C1	REAL300003881501	0	57	0.0	-84.57	429.59	11.80	-72.77
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=NOC(C[NH+]3CCCC3)=C2)=C1	REAL300003881512	1	50	0.0	-82.33	394.95	9.71	-72.62
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C(CC[NH+](C)C)C=C2)=C1	REAL300003881513	0	53	0.0	-87.62	406.30	10.50	-77.12
CNC1=[NH+]C(C)=CC=C1C(=O)N(C)C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003881518	1	46	0.0	-59.49	360.69	7.26	-52.23
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300003881519	1	55	0.0	-67.52	412.00	10.21	-57.31
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)=C1	REAL300003881519	1	55	0.0	-78.08	421.99	10.39	-67.69
CCC[N@H+](C)CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003881526	0	46	0.0	-63.27	352.19	7.98	-55.29
CCC[N@@H+](C)CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003881526	1	46	0.0	-62.87	352.67	8.27	-54.60
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[N@H+](C)C2CCC2)=C1	REAL300003881540	0	47	0.0	-57.02	355.57	8.50	-48.52
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[N@@H+](C)C2CCC2)=C1	REAL300003881540	1	47	0.0	-60.40	359.16	8.55	-51.85
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C(C)[NH+]2CCSCC2)=C1	REAL300003881561	1	48	0.0	-57.66	360.97	8.32	-49.34
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[N@H+](C)CC(C)(C)C)=C1	REAL300003881566	0	52	0.0	-63.08	383.08	9.33	-53.75
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[N@@H+](C)CC(C)(C)C)=C1	REAL300003881566	1	52	0.0	-62.59	380.64	8.96	-53.63
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[N@H+](C)CCC2=CC=CC=C2)=C1	REAL300003881568	0	53	0.0	-65.64	412.09	11.01	-54.63
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[N@@H+](C)CCC2=CC=CC=C2)=C1	REAL300003881568	1	53	0.0	-72.24	411.69	11.61	-60.63
COCCOCC[N@H+](C)CCC(=O)N(C)C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003881569	0	57	0.0	-66.50	438.29	7.30	-59.20
COCCOCC[N@@H+](C)CCC(=O)N(C)C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003881569	1	57	0.0	-73.10	439.93	7.34	-65.76
CC[C@@H](C(=O)N(C)C(C(=O)[O-])C1=CC=CC(OC)=C1)[NH+](C)C	REAL300003881572	0	46	0.0	-60.72	337.92	7.81	-52.91
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CC2(O)CCC[N@H+](C)C2)=C1	REAL300003881574	0	51	0.0	-68.71	367.78	6.91	-61.80
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CC2(O)CCC[N@@H+](C)C2)=C1	REAL300003881574	1	51	0.0	-60.83	369.78	6.63	-54.20
CCCCCC[N@H+](C)CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003881586	0	55	0.0	-63.32	415.46	10.40	-52.92
CCCCCC[N@@H+](C)CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003881586	1	55	0.0	-64.41	416.62	10.30	-54.11
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC3=C[NH+]=CN3C=C2)=C1	REAL300003881600	1	42	0.0	-77.24	340.26	9.97	-67.27
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[N@H+](C)C2CCSC2)=C1	REAL300003881610	0	48	0.0	-67.67	372.79	9.08	-58.59
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[N@@H+](C)C2CCSC2)=C1	REAL300003881610	1	48	0.0	-63.00	368.66	8.78	-54.22
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCN2CC[NH+](C(C)C)CC2)=C1	REAL300003881625	0	58	0.0	-78.39	428.31	7.79	-70.60
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CC[NH+]2CCN(C(C)C)CC2)=C1	REAL300003881625	1	58	0.0	-70.76	425.11	7.62	-63.14
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCCN2CC[NH+](C(C)C)CC2)=C1	REAL300003881626	0	61	0.0	-69.87	446.74	8.54	-61.33
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCC[NH+]2CCN(C(C)C)CC2)=C1	REAL300003881626	1	61	0.0	-77.97	445.71	8.98	-68.99
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCCC3CCC[N@@H+]32)=C1	REAL300003881627	0	51	0.0	-64.02	375.28	9.87	-54.15
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCCC3CCC[N@H+]32)=C1	REAL300003881627	1	51	0.0	-59.43	369.93	9.30	-50.13
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CN(CC[NH+](C)C)N=C2)=C1	REAL300003881629	0	50	0.0	-85.72	389.38	7.69	-78.03
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)=C1	REAL300003881634	0	56	0.0	-69.30	421.17	9.80	-59.50
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)=C1	REAL300003881634	1	56	0.0	-69.61	424.29	9.88	-59.73
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)=C1	REAL300003881639	1	54	0.0	-59.36	399.74	10.78	-48.58
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)=C1	REAL300003881639	1	54	0.0	-45.65	400.16	10.67	-34.98
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300003881654	0	57	0.0	-71.89	432.23	11.72	-60.17
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300003881654	1	57	0.0	-82.59	438.00	12.46	-70.13
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=NN(CC[NH+](C)C)C=C2)=C1	REAL300003881667	0	50	0.0	-85.46	391.82	8.39	-77.07
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=NN2CC[NH+](C)C)=C1	REAL300003881668	0	50	0.0	-59.58	384.04	7.86	-51.72
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)=C1	REAL300003881670	0	47	0.0	-78.50	347.93	7.48	-71.02
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)=C1	REAL300003881670	1	47	0.0	-69.37	350.46	8.21	-61.16
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003881671	1	51	0.0	-62.24	395.41	9.78	-52.46
CC[C@@H]1[C@@H](C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)CC[N@@H+]1C	REAL300003881674	0	50	0.0	-68.97	368.08	8.80	-60.17
CC[C@@H]1[C@@H](C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)CC[N@H+]1C	REAL300003881674	1	50	0.0	-74.06	370.51	8.91	-65.15
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)=C1	REAL300003881676	1	51	0.0	-79.02	389.35	7.52	-71.50
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)=C1	REAL300003881676	1	51	0.0	-79.99	393.08	8.04	-71.95
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2C[N@H+](C)CC(C)O2)=C1	REAL300003881681	1	48	0.0	-77.53	363.76	7.50	-70.03
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2C[N@@H+](C)CC(C)O2)=C1	REAL300003881681	1	48	0.0	-68.18	365.31	7.63	-60.55
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[NH+]2CCCC2)=C1	REAL300003881688	0	44	0.0	-57.88	333.84	7.54	-50.34
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CN2C=C[NH+]=C2C)=C1	REAL300003881690	1	42	0.0	-62.59	341.16	8.28	-54.31
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C(C)C[NH+]2CCOCC2)=C1	REAL300003881692	0	51	0.0	-58.72	379.98	7.17	-51.55
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[NH+]2CCC(C)CC2)=C1	REAL300003881711	0	50	0.0	-57.99	372.79	9.08	-48.91
CC[N@@H+]1CCOC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300003881722	1	48	0.0	-65.41	352.68	7.25	-58.16
CC[N@H+]1CCOC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300003881722	1	48	0.0	-64.73	353.04	7.34	-57.39
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CC[N@@H+](C3CCCCC3)C2)=C1	REAL300003881751	0	57	0.0	-65.70	414.29	10.42	-55.28
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CC[N@H+](C3CCCCC3)C2)=C1	REAL300003881751	1	57	0.0	-67.78	411.93	10.29	-57.49
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCC2CCC[N@@H+]2C)=C1	REAL300003881757	0	50	0.0	-72.43	373.40	8.70	-63.73
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCC2CCC[N@H+]2C)=C1	REAL300003881757	1	50	0.0	-68.31	376.85	9.07	-59.24
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC3CCCC[N@@H+]32)=C1	REAL300003881768	0	51	0.0	-55.58	377.06	9.38	-46.20
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC3CCCC[N@H+]32)=C1	REAL300003881768	1	51	0.0	-55.58	373.70	9.32	-46.26
CC[NH+](CC)CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300003881788	0	46	0.0	-58.46	341.37	7.68	-50.78
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CC[NH+](C(C)C)CC2)=C1	REAL300003881790	0	53	0.0	-59.78	377.42	8.76	-51.02
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C23CC[NH+](CC2)C3)=C1	REAL300003881857	0	45	0.0	-71.04	332.94	6.73	-64.31
CCC(C(=O)N(C)C(C(=O)[O-])C1=CC=CC(OC)=C1)[NH+](C)C	REAL300003881860	0	46	0.0	-56.62	334.67	7.37	-49.25
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C23CC[N@H+](C2)CCC3)=C1	REAL300003881867	0	48	0.0	-72.18	343.85	7.55	-64.63
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C23CC[N@@H+](C2)CCC3)=C1	REAL300003881867	1	48	0.0	-71.10	342.11	7.39	-63.71
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[NH+]2C(C)CCC2C)=C1	REAL300003881903	0	50	0.0	-58.04	368.38	8.87	-49.17
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=CC(C[NH+](C)C)=C2)=C1	REAL300003881904	0	50	0.0	-82.30	385.79	9.70	-72.60
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)=C1	REAL300003881905	0	57	0.0	-55.21	424.23	11.36	-43.85
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)=C1	REAL300003881905	1	57	0.0	-70.46	429.15	11.50	-58.96
C#CC[NH+]1CCC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300003881956	0	49	0.0	-74.76	373.93	9.08	-65.68
CC[NH+]1CCN(CCC(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300003881958	0	55	0.0	-79.57	409.84	7.34	-72.23
CCN1CC[NH+](CCC(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300003881958	1	55	0.0	-66.66	408.60	7.34	-59.32
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[N@H+](C)C(C)C)=C1	REAL300003881959	0	46	0.0	-60.56	347.38	7.76	-52.80
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[N@@H+](C)C(C)C)=C1	REAL300003881959	1	46	0.0	-66.11	346.97	8.37	-57.74
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCN2C=C[NH+]=C2C(C)C)=C1	REAL300003881964	1	51	0.0	-60.83	394.90	9.72	-51.11
CC[N@H+](CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(OC)=C1)C1CC1	REAL300003881971	0	47	0.0	-60.05	361.43	8.57	-51.48
CC[N@@H+](CC(=O)N(C)C(C(=O)[O-])C1=CC=CC(OC)=C1)C1CC1	REAL300003881971	1	47	0.0	-58.35	355.83	8.75	-49.60
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C(C)[NH+]2CCCCCC2)=C1	REAL300003881996	0	53	0.0	-56.85	377.61	9.31	-47.54
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[C@@H]2CCC[N@@H+]2C)=C1	REAL300003882000	0	44	0.0	-61.19	328.55	7.06	-54.13
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[C@@H]2CCC[N@H+]2C)=C1	REAL300003882000	1	44	0.0	-61.32	332.69	7.89	-53.43
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[NH2+]C(C)(C)C)=C1	REAL300003882067	0	46	0.0	-58.06	348.48	6.25	-51.81
CC[NH+](CC)CC1=CC=C(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)O1	REAL300003882069	0	53	0.0	-75.80	410.67	10.45	-65.35
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCCC[NH+]2CCCC2)=C1	REAL300003882070	0	53	0.0	-79.22	403.88	10.53	-68.69
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)=C1	REAL300003882072	1	56	0.0	-59.37	416.23	9.22	-50.15
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[N@H+](C)CC2=CC=CC=C2)=C1	REAL300003882073	1	50	0.0	-65.61	388.44	10.24	-55.37
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[N@@H+](C)CC2=CC=CC=C2)=C1	REAL300003882073	1	50	0.0	-65.33	390.10	10.45	-54.88
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)=C1	REAL300003882098	1	45	0.0	-78.91	364.29	7.63	-71.28
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=NOC(C[NH+](C)C)=C2)=C1	REAL300003882120	1	46	0.0	-79.32	366.00	7.96	-71.36
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)=C1	REAL300003882124	0	57	0.0	-71.07	430.54	11.43	-59.64
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)=C1	REAL300003882124	1	57	0.0	-72.27	431.51	11.45	-60.82
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC[N@@H+]2C(C)C)=C1	REAL300003882136	0	50	0.0	-58.01	364.53	8.44	-49.57
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC[N@H+]2C(C)C)=C1	REAL300003882136	1	50	0.0	-57.75	359.43	8.68	-49.07
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)COC2CC[NH+](C)CC2)=C1	REAL300003882153	0	51	0.0	-76.57	390.17	8.75	-67.82
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)=C1	REAL300003882157	0	54	0.0	-76.61	415.98	10.49	-66.12
CCC[N@@H+]1CCCC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300003882302	0	53	0.0	-64.82	390.94	9.36	-55.46
CCC[N@H+]1CCCC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300003882302	1	53	0.0	-57.77	381.95	9.49	-48.28
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C[NH+]2CCC(CO)CC2)=C1	REAL300003882327	0	51	0.0	-60.06	383.34	5.68	-54.38
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC[N@@H+](C(C)C)C2)=C1	REAL300003882502	0	53	0.0	-63.53	383.94	9.16	-54.37
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC[N@H+](C(C)C)C2)=C1	REAL300003882502	1	53	0.0	-63.62	384.05	9.17	-54.45
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2C[N@H+](C)CC2C(F)(F)F)=C1	REAL300003882503	0	47	0.0	-70.59	363.42	8.41	-62.18
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2C[N@@H+](C)CC2C(F)(F)F)=C1	REAL300003882503	1	47	0.0	-74.62	355.41	8.33	-66.29
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)CCC2=[NH+]C(C)=C(C)N2)=C1	REAL300003882527	1	48	0.0	-61.37	380.29	7.95	-53.42
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=CC(CC[NH+](C)C)=C2)=C1	REAL300003882913	0	53	0.0	-84.78	408.28	10.53	-74.25
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)=C1	REAL300003882920	0	54	0.0	-83.98	414.22	9.58	-74.40
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[C@H]2C[C@H]([NH+](C)C)C2)=C1	REAL300003883034	0	47	0.0	-73.17	361.49	9.03	-64.14
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)=C1	REAL300003883038	0	53	0.0	-66.53	374.75	8.92	-57.61
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CN3C(C)=[NH+]C=C3C=C2)=C1	REAL300003883042	0	45	0.0	-65.39	358.10	9.55	-55.84
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC[N@H+](CC(C)C)C2)=C1	REAL300003883091	0	56	0.0	-66.65	402.00	10.78	-55.87
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC[N@@H+](CC(C)C)C2)=C1	REAL300003883091	1	56	0.0	-66.33	408.01	10.64	-55.69
CC[N@@H+]1CCCC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300003883092	0	50	0.0	-67.16	369.03	9.20	-57.96
CC[N@H+]1CCCC(C(=O)N(C)C(C(=O)[O-])C2=CC=CC(OC)=C2)C1	REAL300003883092	1	50	0.0	-60.32	370.05	8.76	-51.56
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC[N@H+](C)C2)=C1	REAL300003883097	0	47	0.0	-59.24	345.28	8.30	-50.94
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2CCC[N@@H+](C)C2)=C1	REAL300003883097	1	47	0.0	-67.53	352.62	8.15	-59.38
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C2=CC=C(C[NH+](C)C)O2)=C1	REAL300003883099	1	47	0.0	-78.26	375.63	9.07	-69.19
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C23CC(C2)C[N@@H+]3C2CC2)=C1	REAL300003883107	0	49	0.0	-62.17	368.66	9.50	-52.67
COC1=CC=CC(C(C(=O)[O-])N(C)C(=O)C23CC(C2)C[N@H+]3C2CC2)=C1	REAL300003883107	1	49	0.0	-59.52	357.93	9.76	-49.76
O=C([O-])C1N(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)CC12CCOCC2	REAL300003884349	0	55	0.0	-89.56	409.32	10.79	-78.77
O=C([O-])C1N(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)CC12CCOCC2	REAL300003885050	0	52	0.0	-62.39	394.24	9.70	-52.69
O=C([O-])C1N(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)CC12CCOCC2	REAL300003885050	1	52	0.0	-64.42	395.81	9.64	-54.78
O=C([O-])C1N(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)CC12CCOCC2	REAL300003885898	1	52	0.0	-67.72	398.99	9.93	-57.79
O=C([O-])C1N(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)CC12CCOCC2	REAL300003885898	1	52	0.0	-60.52	407.54	10.11	-50.41
O=C([O-])C1N(C(=O)C2CC[NH+](C3CC3)CC2)CC12CCOCC2	REAL300003885982	0	49	0.0	-69.45	356.16	7.68	-61.77
O=C([O-])C1N(C(=O)C2CCC[N@@H+]2C2CC2)CC12CCOCC2	REAL300003886012	0	46	0.0	-55.34	337.60	6.87	-48.47
O=C([O-])C1N(C(=O)C2CCC[N@H+]2C2CC2)CC12CCOCC2	REAL300003886012	1	46	0.0	-74.20	340.15	7.45	-66.75
CC1=[NH+]C=C2CCC(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])CN12	REAL300003886018	1	47	0.0	-75.09	354.12	8.12	-66.97
O=C([O-])C1N(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)CC12CCOCC2	REAL300003886019	0	55	0.0	-72.13	412.56	10.77	-61.36
CC1=NC(C[NH+]2CCC(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])CC2)=CS1	REAL300003886097	1	54	0.0	-83.81	414.07	8.79	-75.02
CC(C(=O)N1CC2(CCOCC2)C1C(=O)[O-])N1CC[NH+](C)CC1	REAL300003886098	1	50	0.0	-76.20	353.83	4.95	-71.25
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC3(CCOCC3)C2C(=O)[O-])C=C1	REAL300003886184	0	58	0.0	-90.48	444.58	10.49	-79.99
CC1(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300003886197	0	58	0.0	-60.39	419.64	10.21	-50.18
O=C([O-])C1N(C(=O)C2=CN3C=[NH+]C=C3C=C2)CC12CCOCC2	REAL300003886254	0	40	0.0	-69.67	315.63	8.08	-61.59
C[NH+](C)CC1(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])CCCCC1	REAL300003886286	0	54	0.0	-64.02	350.16	8.02	-56.00
C[N@H+](CCC(=O)N1CC2(CCOCC2)C1C(=O)[O-])C1CCCCC1	REAL300003886291	0	54	0.0	-78.52	388.92	9.36	-69.16
C[N@@H+](CCC(=O)N1CC2(CCOCC2)C1C(=O)[O-])C1CCCCC1	REAL300003886291	1	54	0.0	-78.81	388.94	9.36	-69.45
O=C([O-])C1N(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)CC12CCOCC2	REAL300003886312	1	55	0.0	-69.96	403.96	10.35	-59.61
O=C([O-])C1N(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)CC12CCOCC2	REAL300003886312	1	55	0.0	-67.40	416.66	10.24	-57.16
O=C([O-])C1N(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)CC12CCOCC2	REAL300003886313	1	52	0.0	-68.46	388.67	9.48	-58.98
O=C([O-])C1N(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)CC12CCOCC2	REAL300003886313	1	52	0.0	-61.32	397.21	9.66	-51.66
O=C([O-])C1N(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)CC12CCOCC2	REAL300003886367	0	48	0.0	-96.16	375.93	8.00	-88.16
O=C([O-])C1N(C(=O)C2CCCC[N@@H+]2C2CCCC2)CC12CCOCC2	REAL300003886392	0	55	0.0	-68.33	380.94	9.24	-59.09
O=C([O-])C1N(C(=O)C2CCCC[N@H+]2C2CCCC2)CC12CCOCC2	REAL300003886392	1	55	0.0	-63.61	382.78	9.09	-54.52
O=C([O-])C1N(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC12CCOCC2	REAL300003886393	0	56	0.0	-78.16	402.06	7.17	-70.99
CC1=[NH+]C=CN1CCCC(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886424	1	46	0.0	-78.51	361.49	8.66	-69.85
O=C([O-])C1N(C(=O)CCCC[NH+]2CCOCC2)CC12CCOCC2	REAL300003886425	1	52	0.0	-85.85	388.02	7.35	-78.50
CC[N@H+](CC1=CC=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C=C1)C(C)C	REAL300003886427	0	57	0.0	-77.16	411.20	9.67	-67.49
CC[N@@H+](CC1=CC=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C=C1)C(C)C	REAL300003886427	1	57	0.0	-94.27	403.47	10.02	-84.25
O=C([O-])C1N(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300003886455	0	52	0.0	-70.33	395.21	9.45	-60.88
O=C([O-])C1N(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300003886455	1	52	0.0	-72.58	395.91	9.53	-63.05
O=C([O-])C1N(C(=O)C2CC[NH+](C3CCSC3)CC2)CC12CCOCC2	REAL300003886456	0	53	0.0	-91.41	389.76	9.43	-81.98
C[NH+]1CCN(C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300003886484	1	57	0.0	-71.16	418.91	8.75	-62.41
O=C([O-])C1N(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC12CCOCC2	REAL300003886485	0	56	0.0	-79.51	383.56	7.02	-72.49
CCC(C(=O)N1CC2(CCOCC2)C1C(=O)[O-])[NH+](CC)CC	REAL300003886489	0	50	0.0	-64.89	352.54	7.69	-57.20
CC(C(=O)N1CC2(CCOCC2)C1C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003886491	0	51	0.0	-73.92	385.41	9.68	-64.24
CC(C(=O)N1CC2(CCOCC2)C1C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003886491	1	51	0.0	-63.90	383.62	9.01	-54.89
O=C([O-])C1N(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)CC12CCOCC2	REAL300003886501	0	58	0.0	-58.32	424.85	11.06	-47.26
O=C([O-])C1N(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)CC12CCOCC2	REAL300003886501	1	58	0.0	-53.59	424.48	10.91	-42.68
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C=N1	REAL300003886527	0	47	0.0	-91.17	354.82	6.71	-84.46
CCC[NH+](CCC)CCCC(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886537	0	56	0.0	-80.23	407.84	9.69	-70.54
O=C([O-])C1N(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)CC12CCOCC2	REAL300003886538	1	56	0.0	-65.88	406.61	6.81	-59.07
CC[N@H+](C)C(C(=O)N1CC2(CCOCC2)C1C(=O)[O-])C1=CC=CC=C1	REAL300003886539	0	51	0.0	-68.20	381.06	9.69	-58.51
CC[N@@H+](C)C(C(=O)N1CC2(CCOCC2)C1C(=O)[O-])C1=CC=CC=C1	REAL300003886539	1	51	0.0	-64.19	383.93	9.81	-54.38
CC[NH+](CC)C(C(=O)N1CC2(CCOCC2)C1C(=O)[O-])C1=CC=CC=C1	REAL300003886544	0	54	0.0	-64.05	385.48	9.61	-54.44
CC(C)C1=[NH+]C=CN1CC(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886552	1	46	0.0	-58.53	355.07	7.76	-50.77
C[NH+](C)C(C(=O)N1CC2(CCOCC2)C1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300003886556	1	48	0.0	-67.45	381.11	9.69	-57.76
O=C([O-])C1N(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)CC12CCOCC2	REAL300003886569	0	52	0.0	-80.42	388.08	9.22	-71.20
O=C([O-])C1N(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)CC12CCOCC2	REAL300003886576	0	55	0.0	-72.91	405.39	9.93	-62.98
CCN1CCC([NH+]2CCC(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])CC2)CC1	REAL300003886582	0	63	0.0	-87.26	441.98	8.37	-78.89
O=C([O-])C1N(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)CC12CCOCC2	REAL300003886602	1	56	0.0	-79.34	416.71	9.53	-69.81
O=C([O-])C1N(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)CC12CCOCC2	REAL300003886602	1	56	0.0	-84.72	417.95	9.83	-74.89
O=C([O-])C1N(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)CC12CCOCC2	REAL300003886616	0	55	0.0	-57.95	410.52	10.18	-47.77
O=C([O-])C1N(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)CC12CCOCC2	REAL300003886616	1	55	0.0	-67.95	408.57	10.82	-57.13
CC1=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003886618	1	46	0.0	-85.85	354.57	7.04	-78.81
O=C([O-])C1N(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)CC12CCOCC2	REAL300003886626	0	55	0.0	-80.84	404.82	9.93	-70.91
O=C([O-])C1N(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)CC12CCOCC2	REAL300003886639	1	48	0.0	-82.85	367.78	7.66	-75.19
C[NH+](C)CCC1=CC=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C=C1	REAL300003886640	0	51	0.0	-83.89	385.75	8.92	-74.97
CNC1=[NH+]C(C)=CC=C1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886652	1	44	0.0	-57.60	339.79	5.74	-51.86
O=C([O-])C1N(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)CC12CCOCC2	REAL300003886653	1	53	0.0	-72.22	404.06	8.98	-63.24
O=C([O-])C1N(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)CC12CCOCC2	REAL300003886653	1	53	0.0	-76.33	392.53	8.76	-67.57
CC(C(=O)N1CC2(CCOCC2)C1C(=O)[O-])[NH+]1CCSCC1	REAL300003886709	1	46	0.0	-70.98	348.64	7.67	-63.31
C[N@H+](CC(=O)N1CC2(CCOCC2)C1C(=O)[O-])CC(C)(C)C	REAL300003886715	0	50	0.0	-70.50	358.34	8.08	-62.42
C[N@@H+](CC(=O)N1CC2(CCOCC2)C1C(=O)[O-])CC(C)(C)C	REAL300003886715	1	50	0.0	-69.97	360.65	8.23	-61.74
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886717	0	51	0.0	-72.89	389.64	10.08	-62.81
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886717	1	51	0.0	-72.96	389.66	10.09	-62.87
COCCOCC[N@H+](C)CCC(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886718	0	55	0.0	-77.51	418.64	6.37	-71.14
COCCOCC[N@@H+](C)CCC(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886718	1	55	0.0	-80.14	418.70	6.38	-73.76
C[N@@H+]1CCCC(O)(CC(=O)N2CC3(CCOCC3)C2C(=O)[O-])C1	REAL300003886722	0	49	0.0	-64.72	345.81	5.25	-59.47
C[N@H+]1CCCC(O)(CC(=O)N2CC3(CCOCC3)C2C(=O)[O-])C1	REAL300003886722	1	49	0.0	-75.01	342.97	5.36	-69.65
O=C([O-])C1N(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)CC12CCOCC2	REAL300003886739	1	54	0.0	-74.72	404.16	9.07	-65.65
O=C([O-])C1N(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)CC12CCOCC2	REAL300003886739	1	54	0.0	-59.38	392.25	8.01	-51.37
CCCCCC[N@H+](C)CC(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886742	0	53	0.0	-71.74	394.24	9.41	-62.33
CCCCCC[N@@H+](C)CC(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886742	1	53	0.0	-71.69	394.24	9.40	-62.29
O=C([O-])C1N(C(=O)C23CCC[NH+]2CCC3)CC12CCOCC2	REAL300003886752	0	46	0.0	-63.31	333.70	6.62	-56.69
O=C([O-])C1N(C(=O)C2=CC3=C[NH+]=CN3C=C2)CC12CCOCC2	REAL300003886760	1	40	0.0	-76.27	315.92	8.10	-68.17
C[N@H+](CC(=O)N1CC2(CCOCC2)C1C(=O)[O-])C1CCSC1	REAL300003886777	0	46	0.0	-75.50	350.01	7.89	-67.61
C[N@@H+](CC(=O)N1CC2(CCOCC2)C1C(=O)[O-])C1CCSC1	REAL300003886777	1	46	0.0	-72.49	349.78	7.90	-64.59
CC(C)[NH+]1CCN(CCC(=O)N2CC3(CCOCC3)C2C(=O)[O-])CC1	REAL300003886792	0	56	0.0	-83.37	405.87	6.92	-76.45
CC(C)N1CC[NH+](CCC(=O)N2CC3(CCOCC3)C2C(=O)[O-])CC1	REAL300003886792	1	56	0.0	-77.15	401.92	6.78	-70.37
CC(C)[NH+]1CCN(CCCC(=O)N2CC3(CCOCC3)C2C(=O)[O-])CC1	REAL300003886793	0	59	0.0	-81.50	422.26	7.36	-74.14
CC(C)N1CC[NH+](CCCC(=O)N2CC3(CCOCC3)C2C(=O)[O-])CC1	REAL300003886793	1	59	0.0	-80.89	423.86	7.52	-73.37
O=C([O-])C1N(C(=O)C2CCCC3CCC[N@@H+]32)CC12CCOCC2	REAL300003886794	0	49	0.0	-70.01	344.38	7.83	-62.18
O=C([O-])C1N(C(=O)C2CCCC3CCC[N@H+]32)CC12CCOCC2	REAL300003886794	1	49	0.0	-61.34	345.31	7.98	-53.36
C[NH+](C)CCN1C=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C=N1	REAL300003886796	0	48	0.0	-79.51	368.65	6.17	-73.34
O=C([O-])C1N(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)CC12CCOCC2	REAL300003886805	0	57	0.0	-80.93	422.55	9.11	-71.82
O=C([O-])C1N(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)CC12CCOCC2	REAL300003886808	0	54	0.0	-76.96	395.98	9.06	-67.90
O=C([O-])C1N(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)CC12CCOCC2	REAL300003886808	1	54	0.0	-74.45	398.89	8.55	-65.90
CC(C(=O)N1CC2(CCOCC2)C1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003886813	1	52	0.0	-73.65	388.57	10.12	-63.53
CC(C(=O)N1CC2(CCOCC2)C1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003886813	1	52	0.0	-68.77	383.11	9.70	-59.07
O=C([O-])C1N(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300003886837	0	55	0.0	-74.20	415.48	10.27	-63.93
O=C([O-])C1N(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300003886837	1	55	0.0	-85.41	416.61	10.93	-74.48
C[NH+](C)CCN1C=CC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])=N1	REAL300003886852	0	48	0.0	-97.44	367.91	6.98	-90.46
C[NH+](C)CCN1N=CC=C1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886853	0	48	0.0	-63.28	357.93	6.69	-56.59
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886859	1	49	0.0	-73.18	376.47	8.88	-64.30
CC[C@@H]1[C@@H](C(=O)N2CC3(CCOCC3)C2C(=O)[O-])CC[N@@H+]1C	REAL300003886862	0	48	0.0	-76.98	340.34	7.12	-69.86
CC[C@@H]1[C@@H](C(=O)N2CC3(CCOCC3)C2C(=O)[O-])CC[N@H+]1C	REAL300003886862	1	48	0.0	-74.80	344.05	7.53	-67.27
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])=NN1	REAL300003886865	1	49	0.0	-86.78	369.00	6.54	-80.24
C[N@H+]1CCCC1C1=CC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])=NN1	REAL300003886865	1	49	0.0	-78.43	374.00	6.11	-72.32
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886866	1	44	0.0	-54.18	335.55	6.74	-47.44
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886866	1	44	0.0	-58.82	340.39	7.23	-51.59
CC1C[N@H+](C)CC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])O1	REAL300003886874	1	46	0.0	-90.66	334.81	6.21	-84.45
CC1C[N@@H+](C)CC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])O1	REAL300003886874	1	46	0.0	-73.89	338.88	5.68	-68.21
O=C([O-])C1N(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)CC12CCOCC2	REAL300003886880	0	55	0.0	-72.05	409.86	10.33	-61.72
O=C([O-])C1N(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)CC12CCOCC2	REAL300003886880	1	55	0.0	-70.43	415.11	10.10	-60.33
O=C([O-])C1N(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)CC12CCOCC2	REAL300003886881	1	51	0.0	-55.17	388.37	8.13	-47.04
O=C([O-])C1N(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)CC12CCOCC2	REAL300003886881	1	51	0.0	-64.82	382.26	7.89	-56.93
CC(C[NH+]1CCOCC1)C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886886	0	49	0.0	-78.01	358.41	6.26	-71.75
O=C([O-])C1N(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)CC12CCOCC2	REAL300003886887	0	56	0.0	-80.68	420.30	8.53	-72.15
CC1CC[NH+](CC(=O)N2CC3(CCOCC3)C2C(=O)[O-])CC1	REAL300003886897	0	48	0.0	-71.16	353.08	8.14	-63.02
CC[N@@H+]1CCOC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C1	REAL300003886912	1	46	0.0	-65.11	327.19	5.91	-59.20
CC[N@H+]1CCOC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C1	REAL300003886912	1	46	0.0	-81.74	342.92	6.03	-75.71
O=C([O-])C1N(C(=O)C2CC[N@@H+](C3CCCCC3)C2)CC12CCOCC2	REAL300003886952	0	55	0.0	-71.36	396.51	8.96	-62.40
O=C([O-])C1N(C(=O)C2CC[N@H+](C3CCCCC3)C2)CC12CCOCC2	REAL300003886952	1	55	0.0	-62.81	394.71	8.92	-53.89
C[N@@H+]1CCCC1CCC(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886959	0	48	0.0	-80.37	352.66	7.91	-72.46
C[N@H+]1CCCC1CCC(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886959	1	48	0.0	-71.66	354.13	7.09	-64.57
O=C([O-])C1N(C(=O)C23CCC[NH+](CCC2)C3)CC12CCOCC2	REAL300003886972	0	49	0.0	-70.81	340.31	6.83	-63.98
C[N@@H+]1CC(O)CC1(C)C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886976	0	46	0.0	-67.39	334.90	3.43	-63.96
C[N@H+]1CC(O)CC1(C)C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886976	1	46	0.0	-67.49	335.39	3.42	-64.07
O=C([O-])C1N(C(=O)C2CCC3CCCC[N@@H+]32)CC12CCOCC2	REAL300003886977	0	49	0.0	-63.52	352.41	8.29	-55.23
O=C([O-])C1N(C(=O)C2CCC3CCCC[N@H+]32)CC12CCOCC2	REAL300003886977	1	49	0.0	-55.72	355.88	7.90	-47.82
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003886985	0	52	0.0	-73.58	364.84	6.26	-67.32
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C=N1	REAL300003886990	0	55	0.0	-84.43	409.18	7.64	-76.79
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C=N1	REAL300003886990	1	55	0.0	-85.20	405.78	8.01	-77.19
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])=C2)CC1	REAL300003886995	0	57	0.0	-71.19	422.51	7.50	-63.69
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])C=C2)CC1	REAL300003886996	0	57	0.0	-96.95	422.01	8.06	-88.89
CN1CC[NH+](CC2=CC=C(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])C=C2)CC1	REAL300003886996	1	57	0.0	-81.54	421.35	7.37	-74.17
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C=C1	REAL300003886997	0	58	0.0	-80.00	428.53	9.16	-70.84
CC(C)[NH+]1CCC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])CC1	REAL300003887005	0	51	0.0	-85.14	367.13	8.41	-76.73
O=C([O-])C1N(C(=O)C23CC[N@H+](C2)CCC3)CC12CCOCC2	REAL300003887092	0	46	0.0	-77.60	322.27	6.39	-71.21
O=C([O-])C1N(C(=O)C23CC[N@@H+](C2)CCC3)CC12CCOCC2	REAL300003887092	1	46	0.0	-72.59	328.02	6.04	-66.55
CC1CCC(C)[NH+]1CC(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003887145	0	48	0.0	-67.59	347.60	7.58	-60.01
C[NH+](C)CC1=CC=CC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])=C1	REAL300003887146	0	48	0.0	-74.00	363.83	8.07	-65.93
O=C([O-])C1N(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300003887147	0	55	0.0	-75.58	409.41	10.74	-64.84
O=C([O-])C1N(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300003887147	1	55	0.0	-67.81	408.68	10.02	-57.79
C#CC[NH+]1CCC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])CC1	REAL300003887217	0	47	0.0	-87.82	357.97	8.41	-79.41
CCC[N@@H+]1CCCCC1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003887219	0	51	0.0	-64.74	354.77	7.85	-56.89
CCC[N@H+]1CCCCC1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003887219	1	51	0.0	-55.88	357.48	7.56	-48.32
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003887220	0	48	0.0	-53.10	351.27	8.84	-44.26
CC[NH+]1CCN(CCC(=O)N2CC3(CCOCC3)C2C(=O)[O-])CC1	REAL300003887222	0	53	0.0	-85.05	389.13	6.41	-78.64
CCN1CC[NH+](CCC(=O)N2CC3(CCOCC3)C2C(=O)[O-])CC1	REAL300003887222	1	53	0.0	-77.31	388.36	6.43	-70.88
CC(C)C(C(=O)N1CC2(CCOCC2)C1C(=O)[O-])[NH+]1CCCCC1	REAL300003887224	0	54	0.0	-65.66	370.30	9.18	-56.48
C[NH+](C)C(C(=O)N1CC2(CCOCC2)C1C(=O)[O-])C1=CC=CC=C1	REAL300003887225	1	48	0.0	-69.05	360.99	9.01	-60.04
O=C([O-])C1N(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300003887229	0	53	0.0	-67.87	393.81	6.99	-60.88
O=C([O-])C1N(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)CC12CCOCC2	REAL300003887229	1	53	0.0	-66.49	404.25	6.28	-60.21
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003887235	1	49	0.0	-72.03	375.98	8.90	-63.13
C[NH+](C)CC1=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])OC2=CC=CC=C21	REAL300003887236	0	51	0.0	-62.18	397.09	8.94	-53.24
O=C([O-])C1N(C(=O)C2CCC[N@@H+]2C2CCCC2)CC12CCOCC2	REAL300003887242	0	52	0.0	-57.72	360.88	8.17	-49.55
O=C([O-])C1N(C(=O)C2CCC[N@H+]2C2CCCC2)CC12CCOCC2	REAL300003887242	1	52	0.0	-65.48	378.17	8.46	-57.02
CC(C)C(C(=O)N1CC2(CCOCC2)C1C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300003887272	1	58	0.0	-64.31	405.08	7.42	-56.89
CC(C(=O)N1CC2(CCOCC2)C1C(=O)[O-])[NH+]1CCCCCC1	REAL300003887273	0	51	0.0	-66.47	354.49	8.01	-58.46
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])=CC=C1N2	REAL300003887311	1	53	0.0	-84.77	398.55	8.50	-76.27
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])=CC=C1N2	REAL300003887311	1	53	0.0	-85.05	398.82	8.48	-76.57
CC[NH+](CC)CC1=CC=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])O1	REAL300003887366	0	51	0.0	-81.44	392.26	8.27	-73.17
O=C([O-])C1N(C(=O)CCCC[NH+]2CCCC2)CC12CCOCC2	REAL300003887367	0	51	0.0	-82.77	381.08	9.08	-73.69
CC1=CC=C(N2CCC(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])CC2)[NH+]=C1	REAL300003887369	1	54	0.0	-84.41	402.23	8.65	-75.76
C[N@H+](CC(=O)N1CC2(CCOCC2)C1C(=O)[O-])CC1=CC=CC=C1	REAL300003887370	1	48	0.0	-74.63	367.17	9.24	-65.39
C[N@@H+](CC(=O)N1CC2(CCOCC2)C1C(=O)[O-])CC1=CC=CC=C1	REAL300003887370	1	48	0.0	-74.28	367.17	9.24	-65.04
O=C([O-])C1N(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)CC12CCOCC2	REAL300003887392	1	43	0.0	-77.91	344.35	6.13	-71.78
C[NH+](C)CC1=CC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])=NO1	REAL300003887423	1	44	0.0	-77.81	345.22	6.04	-71.77
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003887427	0	55	0.0	-85.37	408.70	10.39	-74.98
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003887427	1	55	0.0	-81.40	411.97	10.75	-70.65
CC(C)[N@@H+]1CCCC1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003887444	0	48	0.0	-62.04	334.82	7.01	-55.03
CC(C)[N@H+]1CCCC1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003887444	1	48	0.0	-58.92	347.87	7.10	-51.82
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC3(CCOCC3)C2C(=O)[O-])C=C1	REAL300003887451	0	56	0.0	-95.41	431.95	10.23	-85.18
C[NH+]1CCC(OCC(=O)N2CC3(CCOCC3)C2C(=O)[O-])CC1	REAL300003887471	0	49	0.0	-91.08	370.47	7.47	-83.61
O=C([O-])C1N(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)CC12CCOCC2	REAL300003887476	0	52	0.0	-87.73	388.33	8.99	-78.74
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC3(CCOCC3)C2C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003887521	0	54	0.0	-62.41	403.60	8.21	-54.20
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC3(CCOCC3)C2C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003887521	1	54	0.0	-74.14	395.66	8.58	-65.56
CCC[N@@H+]1CCCC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C1	REAL300003887674	0	51	0.0	-72.68	366.68	8.24	-64.44
CCC[N@H+]1CCCC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C1	REAL300003887674	1	51	0.0	-58.31	367.47	7.86	-50.45
CC(C)C[N@@H+]1CCCC1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003887707	0	51	0.0	-69.74	374.39	8.85	-60.89
CC(C)C[N@H+]1CCCC1C(=O)N1CC2(CCOCC2)C1C(=O)[O-]	REAL300003887707	1	51	0.0	-65.42	367.01	8.45	-56.97
O=C([O-])C1N(C(=O)C[NH+]2CCC(CO)CC2)CC12CCOCC2	REAL300003887708	1	49	0.0	-74.05	364.32	4.85	-69.20
O=C([O-])C1N(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)CC12CCOCC2	REAL300003887810	0	56	0.0	-88.47	412.52	10.82	-77.65
O=C([O-])C1N(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)CC12CCOCC2	REAL300003887810	1	56	0.0	-80.61	414.31	10.30	-70.31
O=C([O-])C1N(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)CC12CCOCC2	REAL300003887851	1	55	0.0	-70.43	415.65	10.92	-59.51
O=C([O-])C1N(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)CC12CCOCC2	REAL300003887851	1	55	0.0	-67.86	407.90	10.66	-57.20
CC(C)[N@@H+]1CCCC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C1	REAL300003887946	0	51	0.0	-66.86	366.49	7.63	-59.23
CC(C)[N@H+]1CCCC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C1	REAL300003887946	1	51	0.0	-64.25	364.14	7.60	-56.65
C[N@@H+]1CC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C(C(F)(F)F)C1	REAL300003887947	0	45	0.0	-82.92	351.59	7.35	-75.57
C[N@H+]1CC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C(C(F)(F)F)C1	REAL300003887947	1	45	0.0	-82.91	345.72	7.00	-75.91
CC1=C(C)[NH+]=C(CCC(=O)N2CC3(CCOCC3)C2C(=O)[O-])N1	REAL300003887971	1	46	0.0	-72.63	360.76	7.03	-65.60
C[NH+](C)CCC1=CC=CC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])=C1	REAL300003888471	0	51	0.0	-76.59	386.32	8.91	-67.68
C[NH+](C)CCOC1=CC=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C=C1	REAL300003888479	0	52	0.0	-98.08	394.05	8.60	-89.48
O=C([O-])C1N(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)CC12CCOCC2	REAL300003888581	0	58	0.0	-81.55	430.22	11.61	-69.94
CC1CN(CC2=CC=C(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])C=C2)CCO1	REAL300003888583	0	56	0.0	-100.42	418.35	9.02	-91.40
CC1C[N@H+](CC2=CC=C(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])C=C2)CCO1	REAL300003888583	1	56	0.0	-96.27	413.09	8.77	-87.50
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])C=C2)CCO1	REAL300003888583	1	56	0.0	-96.27	413.09	8.77	-87.50
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CC3(CCOCC3)C2C(=O)[O-])CC1	REAL300003888630	0	51	0.0	-56.61	358.81	7.47	-49.14
CC1=[NH+]C=C2C=CC(C(=O)N3CC4(CCOCC4)C3C(=O)[O-])=CN21	REAL300003888634	0	43	0.0	-75.80	332.24	8.36	-67.44
CC(C)C[N@@H+]1CCCC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C1	REAL300003888697	0	54	0.0	-60.20	384.78	8.72	-51.48
CC(C)C[N@H+]1CCCC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C1	REAL300003888697	1	54	0.0	-54.95	382.32	8.70	-46.25
CC[N@@H+]1CCCC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C1	REAL300003888698	0	48	0.0	-61.35	336.93	7.68	-53.67
CC[N@H+]1CCCC(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C1	REAL300003888698	1	48	0.0	-56.63	343.41	7.28	-49.35
C[NH+](C)CC1=CC=C(C(=O)N2CC3(CCOCC3)C2C(=O)[O-])O1	REAL300003888704	1	45	0.0	-85.41	356.45	6.91	-78.50
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C1	REAL300003888710	0	54	0.0	-76.03	365.68	7.29	-68.74
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC3(CCOCC3)C2C(=O)[O-])C1	REAL300003888710	1	54	0.0	-95.41	364.39	7.47	-87.94
O=C([O-])C1N(C(=O)C23CC(C2)C[N@H+]3C2CC2)CC12CCOCC2	REAL300003888713	1	47	0.0	-75.21	336.85	8.84	-66.37
CC1=C(C(=O)[O-])N=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)S1	REAL300003890030	0	46	0.0	-91.37	375.18	9.97	-81.40
CC1=C(C(=O)[O-])N=C(NC(=O)C2CC[NH+](C3CC3)CC2)S1	REAL300003891715	0	40	0.0	-85.86	323.53	7.60	-78.26
CC1=[NH+]C=C2CCC(C(=O)NC3=NC(C(=O)[O-])=C(C)S3)CN21	REAL300003891746	1	38	0.0	-76.43	321.76	7.46	-68.97
CC1=C(C(=O)[O-])N=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)S1	REAL300003891747	0	46	0.0	-77.93	369.51	9.41	-68.52
CC1=C(C(=O)[O-])N=C(NC(=O)C(C)N2CC[NH+](C)CC2)S1	REAL300003891822	1	41	0.0	-81.49	327.39	4.58	-76.91
CC1=C(C(=O)[O-])N=C(NC(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)S1	REAL300003891908	0	49	0.0	-90.32	408.19	9.49	-80.83
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)S1	REAL300003891920	0	49	0.0	-89.83	408.96	11.80	-78.03
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)S1	REAL300003891920	1	49	0.0	-88.57	408.91	11.81	-76.76
CC1=C(C(=O)[O-])N=C(NC(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)S1	REAL300003891922	0	49	0.0	-80.61	389.01	10.40	-70.21
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CN3C=[NH+]C=C3C=C2)S1	REAL300003891981	0	31	0.0	-83.22	284.26	8.25	-74.97
CC1=C(C(=O)[O-])N=C(NC(=O)C2(C[NH+](C)C)CCCCC2)S1	REAL300003892011	0	45	0.0	-85.11	339.89	8.33	-76.78
CC1=C(C(=O)[O-])N=C(NC(=O)CC[N@@H+](C)C2CCCCC2)S1	REAL300003892015	0	45	0.0	-84.44	352.53	8.34	-76.10
CC1=C(C(=O)[O-])N=C(NC(=O)CC[N@H+](C)C2CCCCC2)S1	REAL300003892015	1	45	0.0	-84.46	352.54	8.32	-76.14
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)S1	REAL300003892095	0	39	0.0	-94.52	343.33	7.37	-87.15
CC1=C(C(=O)[O-])N=C(NC(=O)C2=C(C3=CC=CC=C3)N(CC[NH+](C)C)N=C2)S1	REAL300003892100	0	49	0.0	-90.09	411.53	9.56	-80.53
CC1=C(C(=O)[O-])N=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)S1	REAL300003892124	0	46	0.0	-76.12	347.92	8.69	-67.43
CC1=C(C(=O)[O-])N=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)S1	REAL300003892124	1	46	0.0	-73.61	351.67	8.56	-65.05
CC1=C(C(=O)[O-])N=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)S1	REAL300003892125	0	47	0.0	-75.73	359.31	6.85	-68.88
CC1=[NH+]C=CN1CCCC(=O)NC1=NC(C(=O)[O-])=C(C)S1	REAL300003892157	1	37	0.0	-80.71	325.09	7.64	-73.07
CC1=C(C(=O)[O-])N=C(NC(=O)CCCC[NH+]2CCOCC2)S1	REAL300003892158	1	43	0.0	-88.20	352.39	6.34	-81.86
CC[N@H+](CC1=CC=C(C(=O)NC2=NC(C(=O)[O-])=C(C)S2)C=C1)C(C)C	REAL300003892160	0	48	0.0	-94.95	372.75	9.47	-85.48
CC[N@@H+](CC1=CC=C(C(=O)NC2=NC(C(=O)[O-])=C(C)S2)C=C1)C(C)C	REAL300003892160	1	48	0.0	-92.09	371.60	9.40	-82.69
CC1=C(C(=O)[O-])N=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)S1	REAL300003892184	0	43	0.0	-83.24	358.78	9.19	-74.05
CC1=C(C(=O)[O-])N=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)S1	REAL300003892184	1	43	0.0	-82.66	358.96	9.19	-73.47
CC1=C(C(=O)[O-])N=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)S1	REAL300003892185	0	44	0.0	-93.79	357.90	8.63	-85.16
CC1=C(C(=O)[O-])N=C(NC(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)S1	REAL300003892213	1	48	0.0	-81.96	390.68	7.90	-74.06
CC1=C(C(=O)[O-])N=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)S1	REAL300003892214	0	47	0.0	-85.48	350.86	6.58	-78.90
CC1=C(C(=O)[O-])N=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)S1	REAL300003892230	0	49	0.0	-74.55	391.51	10.97	-63.58
CC1=C(C(=O)[O-])N=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)S1	REAL300003892230	1	49	0.0	-74.58	391.51	10.98	-63.60
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C[NH+](C)C)N=C2)S1	REAL300003892258	0	38	0.0	-91.39	328.03	6.75	-84.64
CCC[NH+](CCC)CCCC(=O)NC1=NC(C(=O)[O-])=C(C)S1	REAL300003892269	0	47	0.0	-83.55	376.68	8.95	-74.60
CC1=C(C(=O)[O-])N=C(NC(=O)CN2C=C[NH+]=C2C(C)C)S1	REAL300003892283	1	37	0.0	-74.74	319.78	7.48	-67.26
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)S1	REAL300003892299	0	43	0.0	-95.30	357.06	9.37	-85.93
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)S1	REAL300003892306	0	46	0.0	-84.76	373.81	10.07	-74.69
CCN1CCC([NH+]2CCC(C(=O)NC3=NC(C(=O)[O-])=C(C)S3)CC2)CC1	REAL300003892313	0	54	0.0	-88.88	407.88	7.54	-81.34
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)S1	REAL300003892320	1	50	0.0	-98.68	407.09	9.10	-89.58
CC1=C(C(=O)[O-])N=C(NC(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)S1	REAL300003892331	1	47	0.0	-96.76	382.84	9.22	-87.54
CC1=C(C(=O)[O-])N=C(NC(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)S1	REAL300003892331	1	47	0.0	-92.73	388.45	9.24	-83.49
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)S1	REAL300003892357	0	46	0.0	-95.63	373.80	10.09	-85.54
CC1=C(C(=O)[O-])N=C(NC(=O)C2=NOC(C[NH+]3CCCC3)=C2)S1	REAL300003892369	1	39	0.0	-87.14	337.50	6.83	-80.31
CC1=C(C(=O)[O-])N=C(NC(=O)C2=CC=C(CC[NH+](C)C)C=C2)S1	REAL300003892370	0	42	0.0	-97.80	354.74	9.07	-88.73
COCCOCC[N@H+](C)CCC(=O)NC1=NC(C(=O)[O-])=C(C)S1	REAL300003892445	0	46	0.0	-83.07	382.25	5.37	-77.70
COCCOCC[N@@H+](C)CCC(=O)NC1=NC(C(=O)[O-])=C(C)S1	REAL300003892445	1	46	0.0	-84.69	382.30	5.37	-79.32
CC1=C(C(=O)[O-])N=C(NC(=O)CC2(O)CCC[N@@H+](C)C2)S1	REAL300003892449	0	40	0.0	-74.78	314.77	4.85	-69.93
CC1=C(C(=O)[O-])N=C(NC(=O)CC2(O)CCC[N@H+](C)C2)S1	REAL300003892449	1	40	0.0	-74.63	325.59	5.08	-69.55
CC1=C(C(=O)[O-])N=C(NC(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)S1	REAL300003892459	0	51	0.0	-88.44	408.42	8.88	-79.56
CCCCCC[N@H+](C)CC(=O)NC1=NC(C(=O)[O-])=C(C)S1	REAL300003892463	0	44	0.0	-80.56	357.85	8.49	-72.07
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CC[N@H+]1CCOC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300003897615	1	47	0.0	-79.46	359.79	7.69	-71.77
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CCC(C(=O)N1CCC(C2=NOC(C(=O)[O-])=C2)CC1)[NH+](C)C	REAL300003897782	0	45	0.0	-68.64	338.57	7.82	-60.82
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CC1CCC(C)[NH+]1CC(=O)N1CCC(C2=NOC(C(=O)[O-])=C2)CC1	REAL300003897835	0	49	0.0	-65.56	366.19	8.80	-56.76
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)=C1	REAL300003897836	0	49	0.0	-69.92	387.76	10.00	-59.92
O=C([O-])C1=CC(C2CCN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)CC2)=NO1	REAL300003897837	0	56	0.0	-67.00	420.72	11.95	-55.05
O=C([O-])C1=CC(C2CCN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)CC2)=NO1	REAL300003897837	1	56	0.0	-72.70	421.92	12.05	-60.65
C[NH+](C)C1(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)CCC1	REAL300003897875	0	46	0.0	-67.25	333.50	7.67	-59.58
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CCC[N@@H+]1CCCCC1C(=O)N1CCC(C2=NOC(C(=O)[O-])=C2)CC1	REAL300003897905	0	52	0.0	-65.79	377.80	9.30	-56.49
CCC[N@H+]1CCCCC1C(=O)N1CCC(C2=NOC(C(=O)[O-])=C2)CC1	REAL300003897905	1	52	0.0	-63.23	387.90	9.70	-53.53
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CC(C(=O)N1CCC(C2=NOC(C(=O)[O-])=C2)CC1)[NH+]1CCCCCC1	REAL300003897958	0	52	0.0	-65.05	376.88	9.24	-55.81
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CC(C)(C)[NH2+]CC(=O)N1CCC(C2=NOC(C(=O)[O-])=C2)CC1	REAL300003898045	0	45	0.0	-68.58	348.05	6.51	-62.07
CC[NH+](CC)CC1=CC=C(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)O1	REAL300003898047	0	52	0.0	-73.89	405.80	10.00	-63.89
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C[N@H+](CC(=O)N1CCC(C2=NOC(C(=O)[O-])=C2)CC1)CC1=CC=CC=C1	REAL300003898051	1	49	0.0	-73.98	385.77	10.38	-63.60
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CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2=NOC(C(=O)[O-])=C2)CC1	REAL300003898111	1	56	0.0	-75.78	433.90	11.83	-63.95
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(C2=NOC(C(=O)[O-])=C2)CC1	REAL300003898124	0	49	0.0	-64.06	356.02	9.01	-55.05
CC(C)[N@H+]1CCCC1C(=O)N1CCC(C2=NOC(C(=O)[O-])=C2)CC1	REAL300003898124	1	49	0.0	-63.77	363.45	8.63	-55.14
C[NH+]1CCC(OCC(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)CC1	REAL300003898147	0	50	0.0	-75.27	389.08	8.97	-66.30
O=C([O-])C1=CC(C2CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)CC2)=NO1	REAL300003898151	0	53	0.0	-75.31	411.39	10.42	-64.89
CCC[N@@H+]1CCCC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300003898334	0	52	0.0	-70.44	392.44	9.74	-60.70
CCC[N@H+]1CCCC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300003898334	1	52	0.0	-68.53	384.49	9.88	-58.65
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C2=NOC(C(=O)[O-])=C2)CC1	REAL300003898365	0	52	0.0	-66.14	373.72	9.72	-56.42
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C2=NOC(C(=O)[O-])=C2)CC1	REAL300003898365	1	52	0.0	-65.79	390.21	9.78	-56.01
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CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300003898589	0	52	0.0	-62.36	378.28	9.60	-52.76
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300003898589	1	52	0.0	-62.33	378.37	9.60	-52.73
C[N@@H+]1CC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C(C(F)(F)F)C1	REAL300003898590	0	46	0.0	-81.91	356.36	8.67	-73.24
C[N@H+]1CC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C(C(F)(F)F)C1	REAL300003898590	1	46	0.0	-77.73	358.17	8.03	-69.70
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)N1	REAL300003898616	1	47	0.0	-64.83	379.35	8.11	-56.72
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)=C1	REAL300003899095	0	52	0.0	-70.28	410.25	10.83	-59.45
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C=C1	REAL300003899102	0	53	0.0	-73.58	417.54	9.78	-63.80
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300003899239	0	46	0.0	-68.48	358.17	8.52	-59.96
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)CC1	REAL300003899243	0	52	0.0	-68.57	378.02	9.26	-59.31
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300003899308	0	55	0.0	-68.54	409.71	10.40	-58.14
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300003899308	1	55	0.0	-68.54	409.71	10.40	-58.14
CC[N@@H+]1CCCC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300003899309	0	49	0.0	-68.25	370.76	8.99	-59.26
CC[N@H+]1CCCC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300003899309	1	49	0.0	-68.25	370.76	8.99	-59.26
C[N@@H+]1CCCC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300003899314	0	46	0.0	-64.01	344.15	8.39	-55.62
C[N@H+]1CCCC(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300003899314	1	46	0.0	-64.01	344.15	8.39	-55.62
CN(C)CC1=CC=C(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)O1	REAL300003899316	0	46	0.0	-76.77	369.80	8.55	-68.22
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)O1	REAL300003899316	1	46	0.0	-76.77	369.80	8.55	-68.22
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300003899322	0	55	0.0	-70.90	389.56	9.37	-61.53
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(C3=NOC(C(=O)[O-])=C3)CC2)C1	REAL300003899322	1	55	0.0	-70.90	389.56	9.37	-61.53
O=C([O-])C1=CC(C2CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CC2)=NO1	REAL300003899325	0	48	0.0	-64.16	359.88	9.57	-54.59
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O=C([O-])C1=CSC(CC2CCN(C(=O)C3CCC[N@H+]3C3CC3)CC2)=N1	REAL300003900649	1	50	0.0	-64.17	386.83	9.32	-54.85
CC1=[NH+]C=C2CCC(C(=O)N3CCC(CC4=NC(C(=O)[O-])=CS4)CC3)CN21	REAL300003900654	1	51	0.0	-80.36	406.04	9.78	-70.58
C[NH+](C)CC(=O)N1CCC(CC2=NC(C(=O)[O-])=CS2)CC1	REAL300003900701	0	42	0.0	-80.80	337.18	6.97	-73.83
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C[N@@H+](CC(=O)N1CCC(CC2=NC(C(=O)[O-])=CS2)CC1)CC1=CC=CC=C1	REAL300003901545	1	52	0.0	-71.38	415.24	10.78	-60.60
CC(C)[C@@H](C(=O)N1CCC(CC2=NC(C(=O)[O-])=CS2)CC1)[NH+](C)C	REAL300003901552	0	51	0.0	-67.70	378.24	8.84	-58.86
O=C([O-])C1=CSC(CC2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)CC2)=N1	REAL300003901565	1	47	0.0	-87.07	394.58	8.09	-78.98
C[NH+](C)CC1=CC(C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)=NO1	REAL300003901577	1	48	0.0	-91.70	394.56	8.50	-83.20
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(CC2=NC(C(=O)[O-])=CS2)CC1	REAL300003901586	0	52	0.0	-74.19	391.20	8.78	-65.41
CC(C)[N@H+]1CCCC1C(=O)N1CCC(CC2=NC(C(=O)[O-])=CS2)CC1	REAL300003901586	1	52	0.0	-64.20	394.27	9.09	-55.11
C[NH+]1CCC(OCC(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300003901601	0	53	0.0	-85.83	417.10	9.14	-76.69
CCC[N@@H+]1CCCC(C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003901713	0	55	0.0	-82.68	420.26	9.87	-72.81
CCC[N@H+]1CCCC(C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003901713	1	55	0.0	-80.66	420.32	9.90	-70.76
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(CC2=NC(C(=O)[O-])=CS2)CC1	REAL300003901731	0	55	0.0	-63.88	416.06	9.82	-54.06
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(CC2=NC(C(=O)[O-])=CS2)CC1	REAL300003901731	1	55	0.0	-77.48	420.56	9.96	-67.52
O=C([O-])C1=CSC(CC2CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)=N1	REAL300003901732	0	53	0.0	-83.13	410.93	6.14	-76.99
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003901880	0	55	0.0	-72.57	406.57	9.75	-62.82
CC(C)[N@H+]1CCCC(C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003901880	1	55	0.0	-64.75	407.79	9.99	-54.76
CC1=C(C)[NH+]=C(CCC(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)N1	REAL300003901899	1	50	0.0	-75.84	407.42	8.30	-67.54
C[NH+](C)[C@H]1C[C@H](C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003902281	0	49	0.0	-83.45	386.21	8.69	-74.76
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)CC1	REAL300003902285	0	55	0.0	-74.54	406.07	9.43	-65.11
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003902326	0	58	0.0	-84.38	438.18	10.60	-73.78
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003902326	1	58	0.0	-84.38	438.18	10.60	-73.78
CC[N@@H+]1CCCC(C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003902327	0	52	0.0	-90.30	400.65	9.39	-80.91
CC[N@H+]1CCCC(C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003902327	1	52	0.0	-90.30	400.65	9.39	-80.91
C[N@@H+]1CCCC(C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003902332	0	49	0.0	-64.83	374.78	8.85	-55.98
C[N@H+]1CCCC(C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003902332	1	49	0.0	-64.83	374.78	8.85	-55.98
CN(C)CC1=CC=C(C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)O1	REAL300003902334	0	49	0.0	-96.25	399.02	8.84	-87.41
C[NH+](C)CC1=CC=C(C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)O1	REAL300003902334	1	49	0.0	-96.25	399.02	8.84	-87.41
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003902340	0	58	0.0	-72.76	418.99	9.76	-63.00
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(CC3=NC(C(=O)[O-])=CS3)CC2)C1	REAL300003902340	1	58	0.0	-72.76	418.99	9.76	-63.00
O=C([O-])C1=CSC(CC2CCN(C(=O)C34CC(C3)C[N@@H+]4C3CC3)CC2)=N1	REAL300003902343	0	51	0.0	-75.35	391.86	9.58	-65.77
O=C([O-])C1CCC[N@H+](CC(=O)NCCN2CCC3=CC=CC=C32)C1	REAL300003902421	0	49	0.0	-49.64	371.62	7.22	-42.42
COC1=CC(Br)=CC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003902544	0	44	0.0	-49.66	367.51	7.34	-42.32
O=C([O-])C1CCC[N@H+](CC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)C1	REAL300003902631	0	46	0.0	-50.19	339.65	6.10	-44.09
CN(C)C(CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(F)(F)F	REAL300003902739	0	47	0.0	-49.98	359.10	5.08	-44.90
CCOC(CNC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C[NH+](C)C	REAL300003902787	0	47	0.0	-83.61	376.65	6.70	-76.91
CCOC(CNC(=O)C1=CC=C(C(=O)[O-])S1)C[NH+](C)C	REAL300003902788	0	40	0.0	-70.52	339.67	5.47	-65.05
CCOC(CNC(=O)C1=CC=CC=C1SC(C)C(=O)[O-])C[NH+](C)C	REAL300003902789	0	50	0.0	-82.74	395.51	8.19	-74.55
CCOC1=CC(C(=O)NCC(C[NH+](C)C)OCC)=CC=C1OCC(=O)[O-]	REAL300003902790	0	54	0.0	-81.93	427.65	7.38	-74.55
CCOC(CNC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C[NH+](C)C	REAL300003902791	0	49	0.0	-80.14	390.22	7.93	-72.21
CCOC(CNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C[NH+](C)C	REAL300003902792	0	47	0.0	-79.78	378.67	7.62	-72.16
CCOC(CNC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C[NH+](C)C	REAL300003902793	0	51	0.0	-78.26	422.48	2.86	-75.40
CCOC(CNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C[NH+](C)C	REAL300003902794	0	45	0.0	-76.65	368.97	7.07	-69.58
CCOC(CNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C[NH+](C)C	REAL300003902795	0	45	0.0	-76.65	368.97	7.07	-69.58
CCOC(CNC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C)C=C1)C[NH+](C)C	REAL300003902796	0	53	0.0	-81.50	419.77	8.03	-73.47
CCOC(CNC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C[NH+](C)C	REAL300003902797	0	50	0.0	-76.45	401.55	8.09	-68.36
CCOC(CNC(=O)CCC1=CC=CC=C1C(=O)[O-])C[NH+](C)C	REAL300003902798	0	49	0.0	-74.84	379.96	7.72	-67.12
CCOC(CNC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1)C[NH+](C)C	REAL300003902799	0	53	0.0	-78.57	415.91	8.23	-70.34
CCOC(CNC(=O)CC1=CC=CC(C(=O)[O-])=C1)C[NH+](C)C	REAL300003902800	0	46	0.0	-85.58	368.83	7.11	-78.47
CCOC(CNC(=O)C1CCCC(C(=O)[O-])C1)C[NH+](C)C	REAL300003902801	0	49	0.0	-84.07	371.70	6.66	-77.41
CCOC(CNC(=O)C1=CC=C(C(=O)[O-])C=C1F)C[NH+](C)C	REAL300003902802	0	43	0.0	-76.55	345.33	6.49	-70.06
CCOC(CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C[NH+](C)C	REAL300003902803	0	49	0.0	-75.81	369.96	6.69	-69.12
CCOC(CNC(=O)C1CCC(C(=O)[O-])CC1)C[NH+](C)C	REAL300003902804	0	49	0.0	-79.76	364.89	6.45	-73.31
CCOC(CNC(=O)CC1=CC=C(C(=O)[O-])C=C1)C[NH+](C)C	REAL300003902805	0	46	0.0	-86.00	368.82	7.12	-78.88
CCOC(CNC(=O)C1=CC=C(C(=O)[O-])C(C)=N1)C[NH+](C)C	REAL300003902806	0	45	0.0	-68.17	357.71	5.11	-63.06
CCOC(CNC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C[NH+](C)C	REAL300003902807	0	43	0.0	-78.78	362.10	7.01	-71.77
CCOC(CNC(=O)C1=CC=CC(CC(=O)[O-])=C1)C[NH+](C)C	REAL300003902808	0	46	0.0	-78.91	367.57	7.07	-71.84
CCOC(CNC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])C[NH+](C)C	REAL300003902809	0	53	0.0	-79.17	411.75	9.75	-69.42
CCOC(CNC(=O)C1=C(CC(=O)[O-])OC=C1C)C[NH+](C)C	REAL300003902810	0	46	0.0	-79.25	370.10	5.95	-73.30
CCOC(CNC(=O)CC1CCC(C(=O)[O-])CC1)C[NH+](C)C	REAL300003902811	0	52	0.0	-74.97	380.69	7.26	-67.71
CCOC(CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)C[NH+](C)C	REAL300003902812	0	50	0.0	-83.60	378.76	6.86	-76.74
CCOC(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C[NH+](C)C	REAL300003902813	0	53	0.0	-77.41	387.53	7.34	-70.07
CCOC(CNC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C[NH+](C)C	REAL300003902814	0	45	0.0	-79.31	362.68	5.72	-73.59
CCOC(CNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C[NH+](C)C	REAL300003902815	0	50	0.0	-85.28	392.96	7.12	-78.16
CCOC(CNC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C[NH+](C)C	REAL300003902816	0	56	0.0	-77.20	422.73	9.34	-67.86
CCOC(CNC(=O)C1=CC=C(C=CC(=O)[O-])O1)C[NH+](C)C	REAL300003902817	0	44	0.0	-70.73	363.91	5.93	-64.80
CCOC(CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C[NH+](C)C	REAL300003902818	0	50	0.0	-57.47	374.29	7.21	-50.26
CCOC(CNC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C[NH+](C)C	REAL300003902819	0	47	0.0	-76.07	375.79	6.74	-69.33
CCOC(CNC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C[NH+](C)C	REAL300003902820	0	52	0.0	-81.67	411.41	6.98	-74.69
CCOC(CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C[NH+](C)C	REAL300003902821	0	47	0.0	-79.07	366.52	5.83	-73.24
CCOC(CNC(=O)C1=CC=C(CC(=O)[O-])C=C1)C[NH+](C)C	REAL300003902822	0	46	0.0	-74.08	367.48	7.13	-66.95
CCOC(CNC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C[NH+](C)C	REAL300003902823	0	47	0.0	-79.69	377.37	7.65	-72.04
CCOC(CNC(=O)C=CC1=CC(C(=O)[O-])=CO1)C[NH+](C)C	REAL300003902824	0	44	0.0	-76.37	363.33	5.72	-70.65
CCOC(CNC(=O)C1=CC=CC=C1CCC(=O)[O-])C[NH+](C)C	REAL300003902825	0	49	0.0	-81.64	378.81	7.97	-73.67
CCOC(CNC(=O)COCC1=C(C(=O)[O-])N=CO1)C[NH+](C)C	REAL300003902826	0	46	0.0	-86.99	376.69	2.23	-84.76
CCOC(CNC(=O)C=CC1=CC=C(C(=O)[O-])O1)C[NH+](C)C	REAL300003902827	0	44	0.0	-72.98	364.76	6.24	-66.74
CCOC(CNC(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C[NH+](C)C	REAL300003902828	0	46	0.0	-85.52	359.38	6.98	-78.54
CCOC(CNC(=O)C1=CC(C(=O)[O-])=CN=C1C)C[NH+](C)C	REAL300003902829	0	45	0.0	-64.20	354.90	5.32	-58.88
CCOC(CNC(=O)CCCN1C=CC(C(=O)[O-])=N1)C[NH+](C)C	REAL300003902830	0	49	0.0	-94.38	393.61	6.02	-88.36
CCOC(CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C[NH+](C)C	REAL300003902831	0	50	0.0	-83.64	384.37	6.34	-77.30
CCOC(CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C[NH+](C)C	REAL300003902832	0	50	0.0	-76.01	386.08	5.30	-70.71
CCOC(CNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C[NH+](C)C	REAL300003902833	0	51	0.0	-60.76	374.46	7.49	-53.27
CCOC(CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C[NH+](C)C	REAL300003902834	0	49	0.0	-79.72	358.62	7.14	-72.58
CCOC(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C[NH+](C)C	REAL300003902835	1	51	0.0	-73.91	380.00	4.47	-69.44
CCOC(CNC(=O)CN1CCCC(C(=O)[O-])C1)C[NH+](C)C	REAL300003902835	1	51	0.0	-73.91	380.00	4.47	-69.44
CCOC(CNC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C[NH+](C)C	REAL300003902836	0	50	0.0	-58.02	383.52	8.48	-49.54
CCOC(CNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C[NH+](C)C	REAL300003902837	0	50	0.0	-85.28	392.96	7.12	-78.16
CCOC(CNC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C[NH+](C)C	REAL300003902838	0	50	0.0	-95.45	402.82	8.60	-86.85
CCOC(CNC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C)C[NH+](C)C	REAL300003902839	0	49	0.0	-83.12	371.68	7.45	-75.67
CCOC(CNC(=O)C1=CC(C(=O)[O-])=CC=C1C)C[NH+](C)C	REAL300003902840	0	46	0.0	-65.67	359.12	7.22	-58.45
CCOC(CNC(=O)C1=C(C(=O)[O-])SC=C1)C[NH+](C)C	REAL300003902841	0	40	0.0	-82.80	332.07	6.40	-76.40
CCOC(CNC(=O)C1=CN=CC(C(=O)[O-])=C1C)C[NH+](C)C	REAL300003902842	0	45	0.0	-75.40	348.60	5.28	-70.12
CCOC(CNC(=O)C1=CC=C(C(=O)[O-])C=C1C)C[NH+](C)C	REAL300003902843	0	46	0.0	-76.64	361.49	7.06	-69.58
CCOC(CNC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C[NH+](C)C	REAL300003902844	0	43	0.0	-75.29	353.29	6.92	-68.37
CCOC(CNC(=O)C1CC2(CC(C(=O)[O-])C2)C1)C[NH+](C)C	REAL300003902845	0	50	0.0	-77.87	385.11	7.29	-70.58
CCOC(CNC(=O)C1=CC(OC)=CC(C(=O)[O-])=N1)C[NH+](C)C	REAL300003902846	0	46	0.0	-63.78	373.43	4.02	-59.76
CCOC(CNC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C[NH+](C)C	REAL300003902847	0	49	0.0	-75.23	388.87	7.93	-67.30
CCOC(CNC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C[NH+](C)C	REAL300003902848	0	47	0.0	-74.69	373.85	7.45	-67.24
CCOC(CNC(=O)C1=CSC(C(=O)[O-])=N1)C[NH+](C)C	REAL300003902849	0	39	0.0	-64.04	330.48	3.56	-60.48
CCOC(CNC(=O)C1=C(C)SC(C(=O)[O-])=C1)C[NH+](C)C	REAL300003902850	0	43	0.0	-67.23	354.83	6.26	-60.97
CCOC(CNC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C[NH+](C)C	REAL300003902851	0	43	0.0	-77.10	374.16	6.93	-70.17
CCOC(CNC(=O)C1=CC(OC)=CC(C(=O)[O-])=C1Cl)C[NH+](C)C	REAL300003902852	0	47	0.0	-77.25	382.06	6.01	-71.24
CCOC(CNC(=O)C1=C(F)C=CC(C(=O)[O-])=C1C)C[NH+](C)C	REAL300003902853	0	46	0.0	-66.47	368.06	6.56	-59.91
CCOC(CNC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C[NH+](C)C	REAL300003902854	0	46	0.0	-85.32	375.98	7.69	-77.63
CCOC(CNC(=O)CCC1=CC=CN=C1C(=O)[O-])C[NH+](C)C	REAL300003902855	0	48	0.0	-78.25	375.61	5.96	-72.29
CCOC(CNC(=O)C12CC(C(=O)[O-])(C1)CO2)C[NH+](C)C	REAL300003902856	0	45	0.0	-71.03	351.13	3.97	-67.06
CCOC(CNC(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1)C[NH+](C)C	REAL300003902857	0	47	0.0	-80.51	380.10	7.61	-72.90
CCOC(CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C[NH+](C)C	REAL300003902858	0	50	0.0	-57.47	374.29	7.21	-50.26
CCOC(CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C[NH+](C)C	REAL300003902859	0	44	0.0	-69.70	369.52	5.35	-64.35
CCOC(CNC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C[NH+](C)C	REAL300003902860	0	44	0.0	-77.95	366.17	5.56	-72.39
CCOC(CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C[NH+](C)C	REAL300003902861	0	44	0.0	-70.09	357.34	4.56	-65.53
CCOC(CNC(=O)C1=CC=CC(C(=O)[O-])=C1C)C[NH+](C)C	REAL300003902862	0	46	0.0	-82.64	353.15	7.12	-75.52
CCOC(CNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C[NH+](C)C	REAL300003902863	0	46	0.0	-81.22	374.45	5.84	-75.38
CCOC(CNC(=O)C1=CC(C(=O)[O-])=CS1)C[NH+](C)C	REAL300003902864	0	40	0.0	-80.51	337.36	5.45	-75.06
CCOC(CNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C[NH+](C)C	REAL300003902865	0	48	0.0	-68.30	364.08	5.08	-63.22
CCOC(CNC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C[NH+](C)C	REAL300003902866	0	49	0.0	-82.92	378.26	8.44	-74.48
CCOC(CNC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])C[NH+](C)C	REAL300003902867	0	49	0.0	-66.94	370.62	6.51	-60.43
CCOC(CNC(=O)CC1=CC=C(C(=O)[O-])C=C1C)C[NH+](C)C	REAL300003902868	0	49	0.0	-86.42	387.07	7.56	-78.86
CCOC(CNC(=O)CC1=CC(C(=O)[O-])=CS1)C[NH+](C)C	REAL300003902869	0	43	0.0	-82.63	361.00	6.29	-76.34
CCOC(CNC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C[NH+](C)C	REAL300003902870	0	46	0.0	-88.08	373.47	6.97	-81.11
CCOC(CNC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C[NH+](C)C	REAL300003902871	0	50	0.0	-71.04	394.27	7.92	-63.12
CCOC(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C[NH+](C)C	REAL300003902872	0	53	0.0	-77.41	387.53	7.34	-70.07
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2CCC(C(F)(F)F)O2)C1	REAL300003902950	0	47	0.0	-53.04	368.01	6.65	-46.39
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=CC(Cl)=C2Cl)C1	REAL300003903083	0	43	0.0	-48.11	359.03	8.60	-39.51
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=CC(Cl)=C2Cl)C1	REAL300003903083	1	43	0.0	-50.18	360.94	9.05	-41.13
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1C[C@@H]2COC[C@@H]2O1	REAL300003903177	0	46	0.0	-50.00	347.31	4.02	-45.98
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1C[C@@H]2COC[C@@H]2O1	REAL300003903177	1	46	0.0	-49.41	341.39	3.98	-45.43
CS(=O)(=O)C1=CC=CC=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003903287	0	49	0.0	-56.50	378.34	5.36	-51.14
CS(=O)(=O)C1=CC=CC=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003903287	1	49	0.0	-55.70	376.14	4.95	-50.75
O=C([O-])C1CCC[N@H+](CC(=O)NC[C@@H]2C[C@H]2C(F)(F)F)C1	REAL300003903378	0	40	0.0	-50.53	327.49	7.00	-43.53
O=C([O-])C1CCC[N@@H+](CC(=O)NC[C@@H]2C[C@H]2C(F)(F)F)C1	REAL300003903378	1	40	0.0	-49.54	321.33	6.98	-42.56
COC1=C(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300003903488	0	53	0.0	-51.57	402.38	9.67	-41.90
COC1=C(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300003903488	1	53	0.0	-47.82	400.47	9.23	-38.59
CC1=C(Br)C=CC=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003903640	0	46	0.0	-50.77	365.45	9.14	-41.63
CC1=C(Br)C=CC=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003903640	1	46	0.0	-47.86	363.54	8.70	-39.16
CC(C)(CNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)CS(C)(=O)=O	REAL300003903760	0	48	0.0	-56.43	365.11	4.41	-52.02
CC(C)(CNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)CS(C)(=O)=O	REAL300003903760	1	48	0.0	-54.36	358.39	3.97	-50.39
CC1=CN=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300003903844	0	45	0.0	-46.66	344.64	6.74	-39.92
CC1=CN=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300003903844	1	45	0.0	-49.31	350.20	6.75	-42.56
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2(C3=CC=CC=C3)CC2)C1	REAL300003903963	0	50	0.0	-49.39	385.68	10.04	-39.35
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2(C3=CC=CC=C3)CC2)C1	REAL300003903963	1	50	0.0	-50.02	374.02	9.85	-40.17
CN(C)S(=O)(=O)CC1=CC=C(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003904072	0	54	0.0	-56.38	429.81	6.14	-50.24
CN(C)S(=O)(=O)CC1=CC=C(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003904072	1	54	0.0	-53.88	427.04	5.74	-48.14
CN1C=CC(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)CC2)=N1	REAL300003904209	0	50	0.0	-52.04	376.16	8.68	-43.36
CN1C=CC(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)CC2)=N1	REAL300003904209	1	50	0.0	-48.80	368.63	8.21	-40.59
O=C([O-])C1CCC[N@H+](CC(=O)N[C@H]2CCOC3=CC=C(Br)C=C32)C1	REAL300003904321	0	45	0.0	-50.32	362.33	7.85	-42.47
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@H]2CCOC3=CC=C(Br)C=C32)C1	REAL300003904321	1	45	0.0	-50.55	362.72	7.85	-42.70
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=CC(C3CC3)=NO2)C1	REAL300003904397	0	43	0.0	-52.54	343.77	7.08	-45.46
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=CC(C3CC3)=NO2)C1	REAL300003904397	1	43	0.0	-49.00	337.60	7.06	-41.94
CC(C)CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003905510	0	58	0.0	-73.50	439.05	11.97	-61.53
CC(C)CCCC(NC(=O)C1CC[NH+](C2CC2)CC1)C(=O)[O-]	REAL300003906835	0	52	0.0	-70.37	387.10	9.63	-60.74
CC1=[NH+]C=C2CCC(C(=O)NC(CCCC(C)C)C(=O)[O-])CN21	REAL300003906860	1	50	0.0	-61.19	386.59	9.54	-51.65
CC1=NC(C[NH+]2CCC(C(=O)NC(CCCC(C)C)C(=O)[O-])CC2)=CS1	REAL300003906921	1	57	0.0	-74.00	447.02	9.71	-64.29
CC(C)CCCC(NC(=O)C(C)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300003906922	1	53	0.0	-69.96	391.81	6.56	-63.40
CC(C)CCCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003906992	0	61	0.0	-77.81	472.56	11.46	-66.35
CC(C)CCCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003906997	0	61	0.0	-78.12	472.52	13.84	-64.28
CC(C)CCCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003906997	1	61	0.0	-76.70	473.11	13.87	-62.83
CC(C)CCCC(NC(=O)C1=CN2C=[NH+]C=C2C=C1)C(=O)[O-]	REAL300003907049	0	43	0.0	-69.24	348.65	10.23	-59.01
CC(C)CCCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300003907074	0	57	0.0	-74.60	400.92	9.85	-64.75
CC(C)CCCC(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300003907077	0	57	0.0	-66.20	416.90	10.32	-55.88
CC(C)CCCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300003907077	1	57	0.0	-64.82	416.66	10.36	-54.46
CC(C)CCCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300003907138	0	51	0.0	-77.92	406.81	9.40	-68.52
CC(C)CCCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300003907154	0	59	0.0	-76.80	429.96	9.04	-67.76
CC1=[NH+]C=CN1CCCC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300003907182	1	49	0.0	-66.19	389.22	9.68	-56.51
CC(C)CCCC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300003907183	1	55	0.0	-73.02	415.92	8.36	-64.66
CC[N@H+](CC1=CC=C(C(=O)NC(CCCC(C)C)C(=O)[O-])C=C1)C(C)C	REAL300003907184	0	60	0.0	-80.24	437.80	11.67	-68.57
CC[N@@H+](CC1=CC=C(C(=O)NC(CCCC(C)C)C(=O)[O-])C=C1)C(C)C	REAL300003907184	1	60	0.0	-76.57	435.15	11.44	-65.13
CC(C)CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003907202	0	55	0.0	-67.08	422.05	11.12	-55.96
CC(C)CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003907202	1	55	0.0	-66.77	422.07	11.13	-55.64
CC(C)CCCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300003907203	0	56	0.0	-72.19	418.07	10.42	-61.77
CC(C)CCCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300003907231	0	59	0.0	-68.36	415.81	8.63	-59.73
CCC(C(=O)NC(CCCC(C)C)C(=O)[O-])[NH+](CC)CC	REAL300003907235	0	53	0.0	-54.64	380.24	8.77	-45.87
CC(C)CCCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003907237	0	54	0.0	-57.15	413.23	10.76	-46.39
CC(C)CCCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003907237	1	54	0.0	-56.52	412.43	10.75	-45.77
CC(C)CCCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003907245	0	61	0.0	-68.22	461.89	12.84	-55.38
CC(C)CCCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003907245	1	61	0.0	-67.89	461.29	12.82	-55.07
CC(C)CCCC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300003907261	0	50	0.0	-76.41	392.42	8.73	-67.68
CCC[NH+](CCC)CCCC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300003907268	0	59	0.0	-68.06	435.74	10.68	-57.38
CC(C)CCCC(NC(=O)CN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300003907276	1	49	0.0	-56.25	383.32	9.50	-46.75
CC(C)CCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300003907289	0	55	0.0	-80.08	420.57	11.29	-68.79
CC(C)CCCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300003907294	0	58	0.0	-73.93	438.20	12.05	-61.88
CCN1CCC([NH+]2CCC(C(=O)NC(CCCC(C)C)C(=O)[O-])CC2)CC1	REAL300003907300	0	66	0.0	-70.34	473.35	9.65	-60.69
CC(C)CCCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300003907307	1	62	0.0	-83.77	470.64	11.13	-72.64
CC(C)CCCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003907318	1	59	0.0	-78.61	446.04	11.19	-67.42
CC(C)CCCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003907318	1	59	0.0	-74.90	452.82	11.25	-63.65
CC1=C(C(=O)NC(CCCC(C)C)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003907334	1	49	0.0	-79.29	394.25	8.62	-70.67
CC(C)CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300003907337	0	58	0.0	-80.92	437.89	12.01	-68.91
CC(C)CCCC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300003907348	1	51	0.0	-76.68	401.66	8.88	-67.80
CC(C)CCCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003907349	0	54	0.0	-85.36	419.13	11.05	-74.31
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300003907354	1	47	0.0	-56.79	366.94	7.85	-48.94
CC(C)CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003907355	1	56	0.0	-56.30	425.21	10.66	-45.64
CC(C)CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003907355	1	56	0.0	-73.59	425.31	10.64	-62.95
CC(C)CCCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003907365	0	64	0.0	-55.91	471.10	13.14	-42.77
CC(C)CCCC(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300003907400	0	53	0.0	-57.85	387.44	9.31	-48.54
CC(C)CCCC(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)[O-]	REAL300003907400	1	53	0.0	-58.00	386.08	9.20	-48.80
CC(C)CCCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003907402	0	54	0.0	-60.85	416.79	11.21	-49.64
CC(C)CCCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003907402	1	54	0.0	-61.86	417.62	11.16	-50.70
COCCOCC[N@H+](C)CCC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300003907403	0	58	0.0	-66.32	446.62	7.33	-58.99
COCCOCC[N@@H+](C)CCC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300003907403	1	58	0.0	-68.16	446.67	7.34	-60.82
CC(C)CCCC(NC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300003907406	0	52	0.0	-67.84	376.22	6.95	-60.89
CC(C)CCCC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300003907406	1	52	0.0	-66.56	385.69	7.22	-59.34
CC(C)CCCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003907413	0	63	0.0	-72.82	472.79	10.86	-61.96
CCCCCC[N@H+](C)CC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300003907415	0	56	0.0	-59.42	421.97	10.54	-48.88
CCCCCC[N@@H+](C)CC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300003907415	1	56	0.0	-60.12	422.21	10.47	-49.65
CC(C)CCCC(NC(=O)C1=CC2=C[NH+]=CN2C=C1)C(=O)[O-]	REAL300003907425	1	43	0.0	-76.20	348.93	10.24	-65.96
CC(C)CCCC(NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300003907441	0	49	0.0	-64.40	377.82	8.94	-55.46
CC(C)CCCC(NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300003907441	1	49	0.0	-63.11	379.21	8.96	-54.15
CC(C)CCCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003907455	0	59	0.0	-70.52	433.60	7.96	-62.56
CC(C)CCCC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003907455	1	59	0.0	-65.32	430.15	7.70	-57.62
CC(C)CCCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003907456	0	62	0.0	-68.88	455.33	8.70	-60.18
CC(C)CCCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003907456	1	62	0.0	-67.72	450.82	8.53	-59.19
CC(C)CCCC(NC(=O)C1CCCC2CCC[N@@H+]21)C(=O)[O-]	REAL300003907457	0	52	0.0	-55.68	374.40	9.31	-46.37
CC(C)CCCC(NC(=O)C1CCCC2CCC[N@H+]21)C(=O)[O-]	REAL300003907457	1	52	0.0	-57.63	375.18	9.29	-48.34
CC(C)CCCC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300003907459	0	51	0.0	-77.87	401.95	8.26	-69.61
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CCCC(C)C)C(=O)[O-])CC2)=C1	REAL300003907462	0	63	0.0	-69.04	472.69	10.72	-58.32
CC(C)CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003907464	0	60	0.0	-68.89	451.29	10.06	-58.83
CC(C)CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003907466	0	57	0.0	-66.95	428.29	10.35	-56.60
CC(C)CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003907466	1	57	0.0	-66.80	428.24	10.36	-56.44
CC(C)CCCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003907471	1	55	0.0	-56.15	413.69	11.29	-44.86
CC(C)CCCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003907471	1	55	0.0	-58.14	412.69	11.31	-46.83
CC(C)CCCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003907494	0	58	0.0	-71.14	440.59	11.95	-59.19
CC(C)CCCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003907494	1	58	0.0	-71.39	440.60	11.94	-59.45
CC(C)CCCC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003907507	0	51	0.0	-84.47	403.17	8.24	-76.23
CC(C)CCCC(NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300003907508	0	51	0.0	-56.62	397.45	8.24	-48.38
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CCCC(C)C)C(=O)[O-]	REAL300003907509	1	52	0.0	-61.13	404.44	9.94	-51.19
CC(C)CCCC(NC(=O)C1C[N@H+](C)CC(C)O1)C(=O)[O-]	REAL300003907519	1	49	0.0	-69.60	369.51	7.92	-61.68
CC(C)CCCC(NC(=O)C1C[N@@H+](C)CC(C)O1)C(=O)[O-]	REAL300003907519	1	49	0.0	-78.57	370.29	7.87	-70.70
CC(C)CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003907523	0	58	0.0	-66.68	439.54	12.24	-54.44
CC(C)CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003907523	1	58	0.0	-68.54	445.76	12.04	-56.50
CC(C)CCCC(NC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300003907528	0	52	0.0	-64.71	388.97	7.49	-57.22
CC(C)CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300003907529	0	59	0.0	-68.37	449.01	9.47	-58.90
CC[N@@H+]1CCOC(C(=O)NC(CCCC(C)C)C(=O)[O-])C1	REAL300003907548	1	49	0.0	-51.57	366.28	7.72	-43.85
CC[N@H+]1CCOC(C(=O)NC(CCCC(C)C)C(=O)[O-])C1	REAL300003907548	1	49	0.0	-69.23	373.66	7.83	-61.40
CC(C)CCCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300003907573	1	58	0.0	-79.57	436.03	10.15	-69.42
CC(C)CCCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003907574	0	58	0.0	-60.92	423.72	10.70	-50.22
CC(C)CCCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003907574	1	58	0.0	-66.50	423.81	10.58	-55.92
CC(C)CCCC(NC(=O)C1CCC2CCCC[N@@H+]21)C(=O)[O-]	REAL300003907590	0	52	0.0	-56.33	386.30	9.69	-46.64
CC(C)CCCC(NC(=O)C1CCC2CCCC[N@H+]21)C(=O)[O-]	REAL300003907590	1	52	0.0	-54.67	386.25	9.64	-45.03
CC(C)CCCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300003907604	0	60	0.0	-71.39	455.32	9.63	-61.76
CC(C)CCCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300003907605	0	60	0.0	-77.80	453.55	9.50	-68.30
CC(C)CCCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300003907605	1	60	0.0	-80.90	453.89	9.56	-71.34
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CCCC(C)C)C(=O)[O-])C=C1	REAL300003907606	0	61	0.0	-79.03	460.80	11.39	-67.64
CC(C)CCCC(NC(=O)C1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003907613	0	54	0.0	-66.86	393.49	9.40	-57.46
CC(C)CCCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300003907703	0	62	0.0	-84.47	469.88	9.38	-75.09
CC(C)CCCC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300003907707	0	51	0.0	-75.22	396.45	10.28	-64.94
CC(C)CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003907708	0	58	0.0	-64.62	439.39	11.97	-52.65
CC(C)CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003907708	1	58	0.0	-63.95	439.57	11.91	-52.04
C#CC[NH+]1CCC(C(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300003907756	0	50	0.0	-72.63	388.26	9.59	-63.04
CC[NH+]1CCN(CCC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300003907759	0	56	0.0	-70.88	415.93	7.22	-63.66
CCN1CC[NH+](CCC(=O)NC(CCCC(C)C)C(=O)[O-])CC1	REAL300003907759	1	56	0.0	-63.91	416.26	7.41	-56.50
CC(C)CCCC(NC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300003907766	1	52	0.0	-59.64	403.68	9.94	-49.70
CC(C)CCCC(NC(=O)C(C)[NH+]1CCCCCC1)C(=O)[O-]	REAL300003907794	0	54	0.0	-54.93	389.58	9.51	-45.42
CC(C)CCCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003907825	1	56	0.0	-80.59	430.60	10.69	-69.90
CC(C)CCCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003907825	1	56	0.0	-80.87	431.64	10.64	-70.23
CC[NH+](CC)CC1=CC=C(C(=O)NC(CCCC(C)C)C(=O)[O-])O1	REAL300003907869	0	54	0.0	-73.22	418.83	9.89	-63.33
CC(C)CCCC(NC(=O)CCCC[NH+]1CCCC1)C(=O)[O-]	REAL300003907870	0	54	0.0	-70.73	409.82	10.03	-60.70
CC1=CC=C(N2CCC(C(=O)NC(CCCC(C)C)C(=O)[O-])CC2)[NH+]=C1	REAL300003907872	1	57	0.0	-70.73	432.53	9.80	-60.93
CC(C)CCCC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003907873	1	51	0.0	-61.53	394.91	10.39	-51.14
CC(C)CCCC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003907873	1	51	0.0	-62.30	395.15	10.32	-51.98
CC(C)CCCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300003907877	0	63	0.0	-81.14	464.65	10.58	-70.56
CC(C)CCCC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003907889	1	46	0.0	-77.21	377.79	8.17	-69.04
CC(C)CCCC(NC(=O)C1=NOC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300003907911	1	47	0.0	-79.11	376.59	7.68	-71.43
CC(C)CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003907916	0	58	0.0	-67.17	443.24	11.82	-55.35
CC(C)CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003907916	1	58	0.0	-70.52	443.21	11.70	-58.82
CC(C)CCCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003907939	0	59	0.0	-81.70	460.73	11.24	-70.46
CC(C)CCCC(NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300003907951	0	52	0.0	-77.49	398.44	8.81	-68.68
CC(C)CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300003907957	0	55	0.0	-74.43	422.72	10.36	-64.07
CCC[N@@H+]1CCCC(C(=O)NC(CCCC(C)C)C(=O)[O-])C1	REAL300003908093	0	54	0.0	-57.47	395.72	10.00	-47.47
CCC[N@H+]1CCCC(C(=O)NC(CCCC(C)C)C(=O)[O-])C1	REAL300003908093	1	54	0.0	-65.09	401.40	9.78	-55.31
CC(C)CCCC(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300003908120	1	52	0.0	-59.59	392.28	5.91	-53.68
CC(C)CCCC(NC(=O)C1CCC[N@@H+](C(C)C)C1)C(=O)[O-]	REAL300003908291	0	54	0.0	-64.31	397.38	9.52	-54.79
CC(C)CCCC(NC(=O)C1CCC[N@H+](C(C)C)C1)C(=O)[O-]	REAL300003908291	1	54	0.0	-57.09	390.28	9.77	-47.32
CC(C)CCCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003908292	0	48	0.0	-66.92	381.95	8.50	-58.42
CC(C)CCCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003908292	1	48	0.0	-79.43	382.84	8.44	-70.99
CC1=C(C)[NH+]=C(CCC(=O)NC(CCCC(C)C)C(=O)[O-])N1	REAL300003908316	1	49	0.0	-60.08	388.48	8.06	-52.02
CC(C)CCCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300003908700	0	54	0.0	-77.88	418.89	11.11	-66.77
CC(C)CCCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003908707	0	55	0.0	-81.23	426.43	10.03	-71.20
CC(C)CCCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003908789	0	61	0.0	-68.62	457.95	12.73	-55.89
CC(C)CCCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003908791	1	59	0.0	-83.36	443.76	10.45	-72.91
CC(C)CCCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003908791	1	59	0.0	-82.20	443.21	10.42	-71.78
CC(C)CCCC(NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C(=O)[O-]	REAL300003908819	0	54	0.0	-69.35	390.77	9.40	-59.95
CC1=[NH+]C=C2C=CC(C(=O)NC(CCCC(C)C)C(=O)[O-])=CN21	REAL300003908824	0	46	0.0	-64.92	369.83	10.07	-54.85
CC(C)CCCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300003908873	0	57	0.0	-59.75	410.67	10.61	-49.14
CC(C)CCCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300003908873	1	57	0.0	-59.63	410.65	10.60	-49.03
CC(C)CCCC(NC(=O)C1=CC=C(C[NH+](C)C)O1)C(=O)[O-]	REAL300003908879	1	48	0.0	-76.16	381.98	8.44	-67.72
CC(C)CCCC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C(=O)[O-]	REAL300003908887	0	50	0.0	-65.12	370.55	9.24	-55.88
CC(C)CCCC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C(=O)[O-]	REAL300003908887	1	50	0.0	-64.96	373.34	9.61	-55.35
COC1=C2C(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CNC2=CC=C1	REAL300003909093	0	51	0.0	-52.63	392.04	7.56	-45.07
COC1=C2C(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CNC2=CC=C1	REAL300003909093	1	51	0.0	-49.55	390.14	7.12	-42.43
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3CCCO3)C2)C1	REAL300003909187	0	48	0.0	-47.46	353.60	7.78	-39.68
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3CCCO3)C2)C1	REAL300003909187	1	48	0.0	-46.65	354.08	7.79	-38.86
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3C(C2)C(F)(F)C3(F)F)C1	REAL300003909295	0	41	0.0	-54.29	326.57	8.15	-46.14
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3C(C2)C(F)(F)C3(F)F)C1	REAL300003909295	1	41	0.0	-53.55	326.74	8.14	-45.41
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300003911075	0	50	0.0	-74.72	392.90	10.25	-64.47
CC1=[NH+]C=C2CCC(C(=O)NC(CC3=CC4=CC=CC=C4O3)C(=O)[O-])CN21	REAL300003911099	1	48	0.0	-65.50	391.96	10.09	-55.41
CC(C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300003911160	1	51	0.0	-68.99	397.74	7.20	-61.79
C[N@@H+]1CCCC[C@H]1C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911189	0	46	0.0	-51.29	366.46	8.97	-42.32
C[N@H+]1CCCC[C@H]1C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911189	1	46	0.0	-62.31	353.60	8.75	-53.56
C[NH+]1CCC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300003911247	0	46	0.0	-75.81	369.01	9.00	-66.81
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300003911274	0	41	0.0	-72.66	353.62	10.90	-61.76
C[NH+](C)CC1(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CCCCC1	REAL300003911300	0	55	0.0	-58.91	404.52	10.68	-48.23
C[N@H+](CCC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1CCCCC1	REAL300003911304	0	55	0.0	-69.67	422.69	10.96	-58.71
C[N@@H+](CCC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1CCCCC1	REAL300003911304	1	55	0.0	-68.34	422.45	11.02	-57.32
C[N@@H+]1CCCC1C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911317	0	43	0.0	-54.45	350.28	8.41	-46.04
C[N@H+]1CCCC1C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911317	1	43	0.0	-59.76	350.82	8.35	-51.41
C[NH+]1CCC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300003911362	0	46	0.0	-75.81	369.01	9.00	-66.81
CC1=[NH+]C=CN1CCCC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911403	1	47	0.0	-65.15	395.45	10.27	-54.88
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)CCCC[NH+]1CCOCC1	REAL300003911404	1	53	0.0	-77.03	421.74	8.99	-68.04
C[C@@H](C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[NH+](C)C	REAL300003911408	0	42	0.0	-63.55	342.54	7.75	-55.80
C[N@@H+]1CCC[C@@H]1C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911409	0	43	0.0	-59.64	344.37	7.90	-51.74
C[N@H+]1CCC[C@@H]1C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911409	1	43	0.0	-58.69	349.16	8.35	-50.34
C[C@H](C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[NH+](C)C	REAL300003911412	0	42	0.0	-57.93	342.89	7.71	-50.22
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003911443	0	53	0.0	-67.64	426.65	11.77	-55.87
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003911443	1	53	0.0	-65.04	428.31	11.71	-53.33
CCC(C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[NH+](CC)CC	REAL300003911466	0	51	0.0	-54.59	390.22	9.72	-44.87
CC(C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003911468	0	52	0.0	-64.37	419.20	11.36	-53.01
CC(C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003911468	1	52	0.0	-58.15	419.50	11.29	-46.86
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C=N1	REAL300003911487	0	48	0.0	-78.32	398.41	9.38	-68.94
CCC[NH+](CCC)CCCC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911490	0	57	0.0	-71.26	446.65	11.63	-59.63
C[N@@H+]1CCOC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003911492	1	44	0.0	-76.00	362.09	7.77	-68.23
C[N@H+]1CCOC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003911492	1	44	0.0	-65.11	354.58	7.56	-57.55
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911500	1	47	0.0	-60.26	390.08	10.09	-50.17
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003911512	0	53	0.0	-85.88	427.24	11.99	-73.89
C[NH+](C)CC1(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300003911518	0	46	0.0	-73.51	375.46	9.16	-64.35
C[NH+](C)CCCCC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911523	0	48	0.0	-76.22	389.45	9.55	-66.67
CC1=C(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003911540	1	47	0.0	-82.44	399.95	9.29	-73.15
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003911550	1	49	0.0	-77.93	407.89	9.45	-68.48
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C=C1	REAL300003911551	0	52	0.0	-89.34	425.07	11.69	-77.65
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911556	1	45	0.0	-56.12	373.78	8.45	-47.67
CCC[N@H+](C)CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911563	0	45	0.0	-61.97	363.52	8.78	-53.19
CCC[N@@H+](C)CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911563	1	45	0.0	-61.83	363.67	8.76	-53.07
C[N@H+](CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1CCC1	REAL300003911577	0	46	0.0	-58.42	370.30	9.40	-49.02
C[N@@H+](CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1CCC1	REAL300003911577	1	46	0.0	-59.96	370.55	9.33	-50.63
C[N@H+](CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])CC(C)(C)C	REAL300003911600	0	51	0.0	-61.19	393.92	9.84	-51.35
C[N@@H+](CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])CC(C)(C)C	REAL300003911600	1	51	0.0	-55.25	394.50	9.85	-45.40
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911602	0	52	0.0	-64.39	423.42	11.81	-52.58
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911602	1	52	0.0	-64.43	423.57	11.78	-52.65
COCCOCC[N@H+](C)CCC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911603	0	56	0.0	-63.48	452.89	7.92	-55.56
COCCOCC[N@@H+](C)CCC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911603	1	56	0.0	-66.18	452.91	7.91	-58.27
CC[C@@H](C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[NH+](C)C	REAL300003911606	0	45	0.0	-59.87	354.11	8.40	-51.47
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003911608	0	50	0.0	-66.12	392.17	7.73	-58.39
C[N@H+]1CCCC(O)(CC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003911608	1	50	0.0	-61.15	394.64	7.70	-53.45
CCCCCC[N@H+](C)CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911619	0	54	0.0	-62.18	427.91	11.17	-51.01
CCCCCC[N@@H+](C)CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911619	1	54	0.0	-62.85	428.16	11.10	-51.75
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300003911634	1	41	0.0	-80.54	353.89	10.91	-69.63
C[N@H+](CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1CCSC1	REAL300003911642	0	47	0.0	-64.37	383.82	9.59	-54.78
C[N@@H+](CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1CCSC1	REAL300003911642	1	47	0.0	-57.94	384.00	9.56	-48.38
CC(C)[NH+]1CCN(CCC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300003911657	0	57	0.0	-70.02	439.83	8.53	-61.49
CC(C)N1CC[NH+](CCC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300003911657	1	57	0.0	-62.62	436.39	8.26	-54.36
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300003911658	0	50	0.0	-62.91	380.33	9.90	-53.01
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300003911658	1	50	0.0	-50.72	389.22	10.14	-40.58
C[NH+](C)CCN1C=C(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C=N1	REAL300003911660	0	49	0.0	-82.58	408.64	8.84	-73.74
CC(C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003911669	1	53	0.0	-54.14	420.18	11.81	-42.33
CC(C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003911669	1	53	0.0	-56.79	419.78	11.86	-44.93
C[NH+](C)CCN1C=CC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=N1	REAL300003911694	0	49	0.0	-88.01	409.41	8.81	-79.20
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911695	0	49	0.0	-59.58	404.38	8.83	-50.75
C[C@@H]1[C@H](C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC[N@@H+]1C	REAL300003911697	0	46	0.0	-62.01	357.54	8.35	-53.66
C[C@@H]1[C@H](C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC[N@H+]1C	REAL300003911697	1	46	0.0	-65.10	365.84	8.51	-56.59
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911698	1	50	0.0	-59.76	410.67	10.51	-49.25
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC[N@@H+]1C	REAL300003911701	0	49	0.0	-73.48	379.93	9.09	-64.39
CC[C@@H]1[C@@H](C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC[N@H+]1C	REAL300003911701	1	49	0.0	-59.82	385.51	9.58	-50.24
CC1C[N@H+](C)CC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])O1	REAL300003911708	1	47	0.0	-83.85	376.11	8.51	-75.34
CC1C[N@@H+](C)CC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])O1	REAL300003911708	1	47	0.0	-51.83	376.18	8.32	-43.51
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C[NH+]1CCCC1	REAL300003911714	0	43	0.0	-55.97	350.22	8.45	-47.52
CC1=[NH+]C=CN1CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911716	1	41	0.0	-59.60	353.62	9.03	-50.57
CC(C[NH+]1CCOCC1)C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911718	0	50	0.0	-63.82	395.79	8.09	-55.73
CC1CC[NH+](CC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300003911737	0	49	0.0	-61.49	387.01	9.92	-51.57
CC[N@@H+]1CCOC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003911748	1	47	0.0	-71.31	372.32	8.28	-63.03
CC[N@H+]1CCOC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003911748	1	47	0.0	-80.77	378.66	8.47	-72.30
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003911777	0	56	0.0	-65.40	429.81	11.27	-54.13
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003911777	1	56	0.0	-69.19	428.80	11.24	-57.95
C[N@@H+]1CCCC1CCC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911783	0	49	0.0	-74.44	387.07	9.73	-64.71
C[N@H+]1CCCC1CCC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911783	1	49	0.0	-70.70	385.39	9.41	-61.29
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300003911794	0	50	0.0	-53.65	392.61	10.24	-43.41
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300003911794	1	50	0.0	-58.94	385.05	9.84	-49.10
CC[NH+](CC)CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911813	0	45	0.0	-60.51	355.68	8.50	-52.01
CC(C)[NH+]1CCC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300003911815	0	52	0.0	-71.89	399.67	9.95	-61.94
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C12CC[NH+](CC1)C2	REAL300003911881	0	44	0.0	-67.96	356.10	7.88	-60.08
CCC(C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[NH+](C)C	REAL300003911884	0	45	0.0	-60.24	354.74	8.41	-51.83
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300003911891	0	47	0.0	-69.12	366.29	8.51	-60.61
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300003911891	1	47	0.0	-81.42	364.36	8.73	-72.69
CC1CCC(C)[NH+]1CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911926	0	49	0.0	-52.60	381.62	9.38	-43.22
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=C1	REAL300003911927	0	49	0.0	-77.56	402.24	10.89	-66.67
C#CC[NH+]1CCC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300003911970	0	48	0.0	-72.18	393.98	10.11	-62.07
CC[NH+]1CCN(CCC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300003911972	0	54	0.0	-70.15	421.93	7.86	-62.29
CCN1CC[NH+](CCC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300003911972	1	54	0.0	-62.75	423.33	7.94	-54.81
CC(C)[N@H+](C)CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911973	0	45	0.0	-59.29	358.85	8.54	-50.75
CC(C)[N@@H+](C)CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911973	1	45	0.0	-59.83	358.70	8.57	-51.26
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003911977	1	50	0.0	-58.44	409.89	10.51	-47.93
CC[N@H+](CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1CC1	REAL300003911983	0	46	0.0	-52.97	373.32	9.34	-43.63
CC[N@@H+](CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])C1CC1	REAL300003911983	1	46	0.0	-54.11	370.77	9.33	-44.78
CC(C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])[NH+]1CCCCCC1	REAL300003912005	0	52	0.0	-52.94	394.55	9.78	-43.16
C[N@@H+]1CCC[C@H]1C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003912008	0	43	0.0	-54.48	350.41	8.25	-46.23
C[N@H+]1CCC[C@H]1C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003912008	1	43	0.0	-64.15	343.43	7.94	-56.21
CC(C)(C)[NH2+]CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003912069	0	45	0.0	-59.46	363.04	7.12	-52.34
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])O1	REAL300003912071	0	52	0.0	-75.85	424.83	10.54	-65.31
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)CCCC[NH+]1CCCC1	REAL300003912072	0	52	0.0	-74.39	415.42	10.72	-63.67
C[N@H+](CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])CC1=CC=CC=C1	REAL300003912074	1	49	0.0	-64.30	400.85	11.01	-53.29
C[N@@H+](CC(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-])CC1=CC=CC=C1	REAL300003912074	1	49	0.0	-65.22	400.95	10.96	-54.26
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003912098	1	44	0.0	-77.05	383.78	8.81	-68.24
C[NH+](C)CC1=CC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=NO1	REAL300003912117	1	45	0.0	-80.83	383.15	8.45	-72.38
CC(C)[N@@H+]1CCCC1C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003912130	0	49	0.0	-54.35	383.36	9.50	-44.85
CC(C)[N@H+]1CCCC1C(=O)NC(CC1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300003912130	1	49	0.0	-60.40	383.23	9.46	-50.94
C[NH+]1CCC(OCC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300003912145	0	50	0.0	-77.18	404.67	9.39	-67.79
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003912149	0	53	0.0	-76.71	429.56	10.96	-65.75
CCC[N@@H+]1CCCC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003912277	0	52	0.0	-68.00	408.01	10.37	-57.63
CCC[N@H+]1CCCC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003912277	1	52	0.0	-54.22	402.21	10.52	-43.70
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300003912299	1	50	0.0	-62.46	398.08	6.55	-55.91
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003912454	0	52	0.0	-58.06	396.95	10.34	-47.72
CC(C)[N@H+]1CCCC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003912454	1	52	0.0	-59.79	396.73	10.41	-49.38
C[N@@H+]1CC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003912455	0	46	0.0	-69.21	387.82	9.19	-60.02
C[N@H+]1CC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003912455	1	46	0.0	-81.64	388.29	9.08	-72.56
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])N1	REAL300003912476	1	47	0.0	-58.70	394.72	8.64	-50.06
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])=C1	REAL300003912824	0	52	0.0	-80.76	424.97	11.67	-69.09
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C=C1	REAL300003912830	0	53	0.0	-86.56	432.37	10.64	-75.92
C[NH+](C)[C@H]1C[C@H](C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003912940	0	46	0.0	-64.84	374.26	9.04	-55.80
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])CC1	REAL300003912944	0	52	0.0	-56.26	397.00	9.99	-46.27
CC1=[NH+]C=C2C=CC(C(=O)NC(CC3=CC4=CC=CC=C4O3)C(=O)[O-])=CN21	REAL300003912947	0	44	0.0	-65.34	376.29	10.58	-54.76
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003912994	0	55	0.0	-67.13	425.49	11.06	-56.07
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003912994	1	55	0.0	-54.59	416.91	11.19	-43.40
CC[N@@H+]1CCCC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003912995	0	49	0.0	-55.63	380.46	9.85	-45.78
CC[N@H+]1CCCC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003912995	1	49	0.0	-68.79	386.52	9.63	-59.16
C[N@@H+]1CCCC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003913000	0	46	0.0	-56.81	363.06	9.13	-47.68
C[N@H+]1CCCC(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])C1	REAL300003913000	1	46	0.0	-65.13	369.29	8.91	-56.22
C[NH+](C)CC1=CC=C(C(=O)NC(CC2=CC3=CC=CC=C3O2)C(=O)[O-])O1	REAL300003913002	1	46	0.0	-80.08	389.30	9.11	-70.97
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003913010	1	48	0.0	-65.47	381.28	9.96	-55.51
O=C([O-])C(CC1=CC2=CC=CC=C2O1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300003913010	1	48	0.0	-65.29	376.99	10.16	-55.13
O=C([O-])C(CC1CCCO1)NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003914094	0	54	0.0	-78.85	413.71	9.48	-69.37
O=C([O-])C(CC1CCCO1)NC(=O)C1CC[NH+](C2CC2)CC1	REAL300003915419	0	48	0.0	-74.56	361.81	7.18	-67.38
CC1=[NH+]C=C2CCC(C(=O)NC(CC3CCCO3)C(=O)[O-])CN21	REAL300003915444	1	46	0.0	-65.78	360.23	7.01	-58.77
CC1=NC(C[NH+]2CCC(C(=O)NC(CC3CCCO3)C(=O)[O-])CC2)=CS1	REAL300003915505	1	53	0.0	-77.63	420.45	7.24	-70.39
CC(C(=O)NC(CC1CCCO1)C(=O)[O-])N1CC[NH+](C)CC1	REAL300003915506	1	49	0.0	-69.84	363.91	4.61	-65.23
C[NH+](C)CCOC1=CC=C(CCC(=O)NC(CC2CCCO2)C(=O)[O-])C=C1	REAL300003915576	0	57	0.0	-82.80	446.43	9.07	-73.73
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CC2CCCO2)C(=O)[O-])=C1	REAL300003915581	0	57	0.0	-82.72	447.47	11.33	-71.39
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC(CC2CCCO2)C(=O)[O-])=C1	REAL300003915581	1	57	0.0	-81.74	447.48	11.34	-70.40
O=C([O-])C(CC1CCCO1)NC(=O)C1=CN2C=[NH+]C=C2C=C1	REAL300003915633	0	39	0.0	-73.21	322.54	7.86	-65.35
C[NH+](C)CC1(C(=O)NC(CC2CCCO2)C(=O)[O-])CCCCC1	REAL300003915658	0	53	0.0	-54.40	379.02	7.53	-46.87
C[N@H+](CCC(=O)NC(CC1CCCO1)C(=O)[O-])C1CCCCC1	REAL300003915661	0	53	0.0	-68.72	390.79	7.92	-60.80
C[N@@H+](CCC(=O)NC(CC1CCCO1)C(=O)[O-])C1CCCCC1	REAL300003915661	1	53	0.0	-70.09	391.03	7.84	-62.25
O=C([O-])C(CC1CCCO1)NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003915722	0	47	0.0	-82.23	381.62	6.96	-75.27
O=C([O-])C(CC1CCCO1)NC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003915738	0	55	0.0	-71.69	397.81	6.41	-65.28
CC1=[NH+]C=CN1CCCC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003915766	1	45	0.0	-70.44	363.34	7.22	-63.22
O=C(CCCC[NH+]1CCOCC1)NC(CC1CCCO1)C(=O)[O-]	REAL300003915767	1	51	0.0	-77.44	390.64	5.91	-71.53
CC[N@H+](CC1=CC=C(C(=O)NC(CC2CCCO2)C(=O)[O-])C=C1)C(C)C	REAL300003915768	0	56	0.0	-86.43	411.92	9.21	-77.22
CC[N@@H+](CC1=CC=C(C(=O)NC(CC2CCCO2)C(=O)[O-])C=C1)C(C)C	REAL300003915768	1	56	0.0	-83.82	410.11	8.93	-74.89
O=C([O-])C(CC1CCCO1)NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003915786	0	51	0.0	-65.51	394.18	9.15	-56.36
O=C([O-])C(CC1CCCO1)NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003915786	1	51	0.0	-63.13	395.73	9.32	-53.81
O=C([O-])C(CC1CCCO1)NC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003915787	0	52	0.0	-78.88	396.19	8.21	-70.67
O=C(CC1([NH+]2CCOCC2)CCCC1)NC(CC1CCCO1)C(=O)[O-]	REAL300003915815	0	55	0.0	-65.78	387.39	6.62	-59.16
CCC(C(=O)NC(CC1CCCO1)C(=O)[O-])[NH+](CC)CC	REAL300003915819	0	49	0.0	-55.88	354.97	6.33	-49.55
CC(C(=O)NC(CC1CCCO1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003915821	0	50	0.0	-64.86	387.47	8.31	-56.55
CC(C(=O)NC(CC1CCCO1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003915821	1	50	0.0	-62.09	387.62	8.26	-53.83
O=C([O-])C(CC1CCCO1)NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003915829	0	57	0.0	-74.79	436.17	10.27	-64.52
O=C([O-])C(CC1CCCO1)NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003915829	1	57	0.0	-56.20	428.05	11.03	-45.17
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CCCO2)C(=O)[O-])C=N1	REAL300003915845	0	46	0.0	-77.07	364.33	6.87	-70.20
CCC[NH+](CCC)CCCC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003915852	0	55	0.0	-72.30	415.18	8.46	-63.84
CC(C)C1=[NH+]C=CN1CC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003915860	1	45	0.0	-60.20	358.03	7.06	-53.14
O=C([O-])C(CC1CCCO1)NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003915873	0	51	0.0	-87.11	395.57	8.90	-78.21
O=C([O-])C(CC1CCCO1)NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003915878	0	54	0.0	-78.45	412.11	9.66	-68.79
CCN1CCC([NH+]2CCC(C(=O)NC(CC3CCCO3)C(=O)[O-])CC2)CC1	REAL300003915884	0	62	0.0	-72.94	443.27	7.04	-65.90
CC1C[NH+](CC2=CC=C(C(=O)NC(CC3CCCO3)C(=O)[O-])C=C2)CC(C)O1	REAL300003915891	1	58	0.0	-89.20	445.41	8.69	-80.51
O=C([O-])C(CC1CCCO1)NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003915902	1	55	0.0	-73.88	424.59	9.34	-64.54
O=C([O-])C(CC1CCCO1)NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003915902	1	55	0.0	-82.12	427.07	8.77	-73.35
CC1=C(C(=O)NC(CC2CCCO2)C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003915918	1	45	0.0	-80.11	366.41	6.67	-73.44
O=C([O-])C(CC1CCCO1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003915921	0	54	0.0	-86.82	411.78	9.62	-77.20
O=C([O-])C(CC1CCCO1)NC(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300003915932	1	47	0.0	-76.43	373.23	6.93	-69.50
C[NH+](C)CCC1=CC=C(C(=O)NC(CC2CCCO2)C(=O)[O-])C=C1	REAL300003915933	0	50	0.0	-91.03	393.25	8.58	-82.45
CNC1=[NH+]C(C)=CC=C1C(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003915938	1	43	0.0	-57.27	339.95	5.86	-51.41
O=C([O-])C(CC1CCCO1)NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003915939	1	52	0.0	-76.04	399.34	8.19	-67.85
O=C([O-])C(CC1CCCO1)NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003915939	1	52	0.0	-69.07	396.39	8.63	-60.44
CC(C(=O)NC(CC1CCCO1)C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003915949	0	60	0.0	-62.12	450.60	10.79	-51.33
C[N@H+](CC(=O)NC(CC1CCCO1)C(=O)[O-])CC(C)(C)C	REAL300003915984	0	49	0.0	-61.47	362.00	6.80	-54.67
C[N@@H+](CC(=O)NC(CC1CCCO1)C(=O)[O-])CC(C)(C)C	REAL300003915984	1	49	0.0	-60.91	362.00	6.80	-54.11
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003915986	0	50	0.0	-65.13	391.75	8.71	-56.42
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003915986	1	50	0.0	-64.33	391.51	8.77	-55.56
COCCOCC[N@H+](C)CCC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003915987	0	54	0.0	-68.96	420.75	4.88	-64.08
COCCOCC[N@@H+](C)CCC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003915987	1	54	0.0	-72.01	420.79	4.88	-67.13
C[N@@H+]1CCCC(O)(CC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300003915990	0	48	0.0	-62.38	353.12	4.38	-58.00
C[N@H+]1CCCC(O)(CC(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300003915990	1	48	0.0	-71.88	350.27	4.46	-67.42
O=C([O-])C(CC1CCCO1)NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003915997	0	59	0.0	-76.52	446.67	8.46	-68.06
CCCCCC[N@H+](C)CC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003915999	0	52	0.0	-62.73	396.10	8.07	-54.66
CCCCCC[N@@H+](C)CC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003915999	1	52	0.0	-63.52	396.34	8.03	-55.49
O=C([O-])C(CC1CCCO1)NC(=O)C1=CC2=C[NH+]=CN2C=C1	REAL300003916009	1	39	0.0	-76.89	321.09	8.30	-68.59
C[N@H+](CC(=O)NC(CC1CCCO1)C(=O)[O-])C1CCSC1	REAL300003916025	0	45	0.0	-67.72	352.10	6.51	-61.21
C[N@@H+](CC(=O)NC(CC1CCCO1)C(=O)[O-])C1CCSC1	REAL300003916025	1	45	0.0	-63.42	351.65	6.57	-56.85
CC(C)[NH+]1CCN(CCC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300003916039	0	55	0.0	-74.96	407.72	5.49	-69.47
CC(C)N1CC[NH+](CCC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300003916039	1	55	0.0	-68.52	404.28	5.22	-63.30
CC(C)[NH+]1CCN(CCCC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300003916040	0	58	0.0	-74.85	424.35	5.87	-68.98
CC(C)N1CC[NH+](CCCC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300003916040	1	58	0.0	-72.99	425.96	6.02	-66.97
O=C([O-])C(CC1CCCO1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300003916041	0	48	0.0	-57.14	357.18	7.12	-50.02
O=C([O-])C(CC1CCCO1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300003916041	1	48	0.0	-56.79	344.70	7.31	-49.48
C[NH+](C)CCN1C=C(C(=O)NC(CC2CCCO2)C(=O)[O-])C=N1	REAL300003916043	0	47	0.0	-79.77	374.96	6.27	-73.50
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CC3CCCO3)C(=O)[O-])CC2)=C1	REAL300003916046	0	59	0.0	-72.41	446.82	8.26	-64.15
O=C([O-])C(CC1CCCO1)NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003916048	0	56	0.0	-72.06	425.18	7.65	-64.41
O=C([O-])C(CC1CCCO1)NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003916050	0	53	0.0	-71.61	407.71	7.62	-63.99
O=C([O-])C(CC1CCCO1)NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003916050	1	53	0.0	-66.94	406.27	8.14	-58.80
CC(C(=O)NC(CC1CCCO1)C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003916055	1	51	0.0	-56.64	385.59	9.31	-47.33
CC(C(=O)NC(CC1CCCO1)C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003916055	1	51	0.0	-55.85	389.17	9.20	-46.65
O=C([O-])C(CC1CCCO1)NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003916078	0	54	0.0	-71.96	415.69	10.02	-61.94
O=C([O-])C(CC1CCCO1)NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003916078	1	54	0.0	-76.37	417.84	9.58	-66.79
C[NH+](C)CCN1C=CC(C(=O)NC(CC2CCCO2)C(=O)[O-])=N1	REAL300003916091	0	47	0.0	-86.38	375.33	6.30	-80.08
C[NH+](C)CCN1N=CC=C1C(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003916092	0	47	0.0	-59.37	369.76	6.30	-53.07
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003916093	1	48	0.0	-65.44	378.57	7.47	-57.97
CC1C[N@H+](C)CC(C(=O)NC(CC2CCCO2)C(=O)[O-])O1	REAL300003916103	1	45	0.0	-68.25	341.80	5.83	-62.42
CC1C[N@@H+](C)CC(C(=O)NC(CC2CCCO2)C(=O)[O-])O1	REAL300003916103	1	45	0.0	-57.32	344.05	5.29	-52.03
O=C([O-])C(CC1CCCO1)NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003916107	0	54	0.0	-63.83	410.91	10.25	-53.58
O=C([O-])C(CC1CCCO1)NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003916107	1	54	0.0	-58.94	410.90	10.24	-48.70
CC(C[NH+]1CCOCC1)C(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003916112	0	48	0.0	-70.31	363.93	5.00	-65.31
O=C([O-])C(CC1CCCO1)NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003916113	0	55	0.0	-72.22	422.90	7.07	-65.15
CC[N@@H+]1CCOC(C(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300003916132	1	45	0.0	-57.30	340.61	5.20	-52.10
CC[N@H+]1CCOC(C(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300003916132	1	45	0.0	-73.22	345.02	5.91	-67.31
CN1C=CN=C1C[NH+]1CCC(C(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300003916157	1	54	0.0	-84.27	410.16	7.70	-76.57
O=C([O-])C(CC1CCCO1)NC(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300003916158	0	54	0.0	-69.46	398.76	8.23	-61.23
O=C([O-])C(CC1CCCO1)NC(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300003916158	1	54	0.0	-65.74	398.14	8.20	-57.54
O=C([O-])C(CC1CCCO1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300003916174	0	48	0.0	-63.77	354.26	6.72	-57.05
O=C([O-])C(CC1CCCO1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300003916174	1	48	0.0	-53.30	357.58	7.73	-45.57
C[NH+]1CCN(CC2=CC=CC(C(=O)NC(CC3CCCO3)C(=O)[O-])=C2)CC1	REAL300003916188	0	56	0.0	-82.80	429.39	7.16	-75.64
C[NH+]1CCN(CC2=CC=C(C(=O)NC(CC3CCCO3)C(=O)[O-])C=C2)CC1	REAL300003916189	0	56	0.0	-86.17	429.38	7.17	-79.00
CN1CC[NH+](CC2=CC=C(C(=O)NC(CC3CCCO3)C(=O)[O-])C=C2)CC1	REAL300003916189	1	56	0.0	-88.00	428.85	7.05	-80.95
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC2CCCO2)C(=O)[O-])C=C1	REAL300003916190	0	57	0.0	-85.96	435.52	8.95	-77.01
CC(C)[NH+]1CCC(C(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300003916197	0	50	0.0	-71.48	367.62	6.93	-64.55
O=C([O-])C(CC1CCCO1)NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003916287	0	58	0.0	-89.69	444.00	6.92	-82.77
C[NH+](C)CC1=CC=CC(C(=O)NC(CC2CCCO2)C(=O)[O-])=C1	REAL300003916291	0	47	0.0	-80.43	370.77	7.74	-72.69
O=C([O-])C(CC1CCCO1)NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003916292	0	54	0.0	-63.02	411.80	9.96	-53.06
O=C([O-])C(CC1CCCO1)NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003916292	1	54	0.0	-63.29	411.41	9.99	-53.30
C#CC[NH+]1CCC(C(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300003916340	0	46	0.0	-76.11	361.63	7.14	-68.97
CC[NH+]1CCN(CCC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300003916343	0	52	0.0	-75.68	390.06	4.75	-70.93
CCN1CC[NH+](CCC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300003916343	1	52	0.0	-67.97	390.98	4.98	-62.99
CC(C)C1=[NH+]C=CN1CCC(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003916350	1	48	0.0	-64.23	378.03	7.40	-56.83
CC(C(=O)NC(CC1CCCO1)C(=O)[O-])[NH+]1CCCCCC1	REAL300003916378	0	50	0.0	-58.37	361.66	6.72	-51.65
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CCCO3)C(=O)[O-])=CC=C1N2	REAL300003916409	1	52	0.0	-82.50	402.76	8.75	-73.75
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC(CC3CCCO3)C(=O)[O-])=CC=C1N2	REAL300003916409	1	52	0.0	-81.87	404.06	8.68	-73.19
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC2CCCO2)C(=O)[O-])O1	REAL300003916453	0	50	0.0	-75.05	385.65	7.74	-67.31
O=C(CCCC[NH+]1CCCC1)NC(CC1CCCO1)C(=O)[O-]	REAL300003916454	0	50	0.0	-74.71	383.70	7.63	-67.08
CC1=CC=C(N2CCC(C(=O)NC(CC3CCCO3)C(=O)[O-])CC2)[NH+]=C1	REAL300003916456	1	53	0.0	-75.03	406.41	7.39	-67.64
C[N@H+](CC(=O)NC(CC1CCCO1)C(=O)[O-])CC1=CC=CC=C1	REAL300003916457	1	47	0.0	-65.11	369.03	7.91	-57.20
C[N@@H+](CC(=O)NC(CC1CCCO1)C(=O)[O-])CC1=CC=CC=C1	REAL300003916457	1	47	0.0	-64.89	369.03	7.91	-56.98
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC(CC3CCCO3)C(=O)[O-])C=C2)CC1	REAL300003916461	0	59	0.0	-86.31	438.54	8.20	-78.11
O=C([O-])C(CC1CCCO1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003916473	1	42	0.0	-81.73	351.91	5.72	-76.01
C[NH+](C)CC1=CC(C(=O)NC(CC2CCCO2)C(=O)[O-])=NO1	REAL300003916495	1	43	0.0	-79.24	349.77	5.83	-73.41
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003916500	0	54	0.0	-66.57	409.72	9.71	-56.86
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(CC1CCCO1)C(=O)[O-]	REAL300003916500	1	54	0.0	-66.25	409.31	9.88	-56.37
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(CC2CCCO2)C(=O)[O-])C=C1	REAL300003916523	0	55	0.0	-87.43	435.10	8.73	-78.70
C[NH+]1CCC(OCC(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300003916535	0	48	0.0	-81.85	372.32	6.42	-75.43
O=C([O-])C(CC1CCCO1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003916541	0	51	0.0	-75.82	395.49	8.44	-67.38
CCC[N@@H+]1CCCC(C(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300003916677	0	50	0.0	-63.47	374.40	7.80	-55.67
CCC[N@H+]1CCCC(C(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300003916677	1	50	0.0	-54.05	368.85	7.87	-46.18
O=C([O-])C(CC1CCCO1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300003916704	1	48	0.0	-62.49	366.16	3.51	-58.98
CC(C)[N@@H+]1CCCC(C(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300003916875	0	50	0.0	-56.85	363.20	7.75	-49.10
CC(C)[N@H+]1CCCC(C(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300003916875	1	50	0.0	-61.38	365.18	7.23	-54.15
C[N@@H+]1CC(C(=O)NC(CC2CCCO2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003916876	0	44	0.0	-78.72	344.41	5.82	-72.90
C[N@H+]1CC(C(=O)NC(CC2CCCO2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003916876	1	44	0.0	-72.31	346.69	6.32	-65.99
CC1=C(C)[NH+]=C(CCC(=O)NC(CC2CCCO2)C(=O)[O-])N1	REAL300003916900	1	45	0.0	-64.69	362.85	5.53	-59.16
C[NH+](C)CCC1=CC=CC(C(=O)NC(CC2CCCO2)C(=O)[O-])=C1	REAL300003917284	0	50	0.0	-82.81	393.26	8.58	-74.23
C[NH+](C)CCOC1=CC=C(C(=O)NC(CC2CCCO2)C(=O)[O-])C=C1	REAL300003917291	0	51	0.0	-87.43	400.31	7.61	-79.82
O=C([O-])C(CC1CCCO1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003917373	0	57	0.0	-72.71	432.32	10.19	-62.52
CC1C[N@H+](CC2=CC=C(C(=O)NC(CC3CCCO3)C(=O)[O-])C=C2)CCO1	REAL300003917375	1	55	0.0	-88.81	417.90	7.99	-80.82
CC1C[N@@H+](CC2=CC=C(C(=O)NC(CC3CCCO3)C(=O)[O-])C=C2)CCO1	REAL300003917375	1	55	0.0	-83.50	415.40	8.50	-75.00
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(CC2CCCO2)C(=O)[O-])CC1	REAL300003917403	0	50	0.0	-68.54	363.07	7.41	-61.13
CC1=[NH+]C=C2C=CC(C(=O)NC(CC3CCCO3)C(=O)[O-])=CN21	REAL300003917408	0	42	0.0	-69.49	343.96	7.63	-61.86
CC(C)C[N@@H+]1CCCC(C(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300003917457	0	53	0.0	-59.79	384.72	8.10	-51.69
CC(C)C[N@H+]1CCCC(C(=O)NC(CC2CCCO2)C(=O)[O-])C1	REAL300003917457	1	53	0.0	-56.41	384.75	8.72	-47.69
C[NH+](C)CC1=CC=C(C(=O)NC(CC2CCCO2)C(=O)[O-])O1	REAL300003917463	1	44	0.0	-77.17	354.37	6.63	-70.54
O=C([O-])C(CC1CCCO1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003917471	0	46	0.0	-60.43	348.81	7.49	-52.94
O=C([O-])C(CC1CCCO1)NC(=O)C12CC(C1)C[N@H+]2C1CC1	REAL300003917471	1	46	0.0	-65.72	341.54	7.67	-58.05
O=C([O-])C1CCC[N@H+](CC(=O)NCC2CCC(C(F)(F)F)O2)C1	REAL300003917552	0	44	0.0	-47.29	345.06	5.36	-41.93
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2CCC(C(F)(F)F)O2)C1	REAL300003917552	1	44	0.0	-48.61	347.07	5.85	-42.76
CC1CCN(C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1C1=CC=CC=C1	REAL300003917664	0	50	0.0	-49.05	364.47	11.13	-37.92
CC1CCN(C(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1C1=CC=CC=C1	REAL300003917664	1	50	0.0	-47.88	370.53	11.14	-36.74
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CC=C(Cl)C(Cl)=C2)C1	REAL300003917782	0	43	0.0	-49.39	362.01	8.70	-40.69
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CC=C(Cl)C(Cl)=C2)C1	REAL300003917782	1	43	0.0	-52.75	363.91	9.14	-43.61
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCCC1CCC2(CCOCC2)CO1	REAL300003917912	0	58	0.0	-46.62	407.69	6.22	-40.40
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCCC1CCC2(CCOCC2)CO1	REAL300003917912	1	58	0.0	-50.85	409.50	6.62	-44.23
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C1	REAL300003918037	0	47	0.0	-44.61	357.41	9.76	-34.85
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC(C3=C(F)C=CC=C3F)C2)C1	REAL300003918037	1	47	0.0	-44.98	357.85	9.79	-35.19
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003919207	0	47	0.0	-82.01	364.32	9.25	-72.76
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300003919897	0	44	0.0	-66.05	341.31	8.17	-57.88
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300003919897	1	44	0.0	-69.41	345.84	8.67	-60.74
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@@H+]1CC1=CC=C(Cl)C=C1	REAL300003920493	1	44	0.0	-68.28	358.10	8.70	-59.58
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@H+]1CC1=CC=C(Cl)C=C1	REAL300003920493	1	44	0.0	-68.49	357.98	8.70	-59.79
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300003920547	0	47	0.0	-69.00	366.90	9.20	-59.80
CC1=NC(C[NH+]2CCC(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])CC2)=CS1	REAL300003920588	1	46	0.0	-81.89	372.01	7.07	-74.82
C[NH+](C)CCOC1=CC=C(CCC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003920629	0	50	0.0	-82.21	397.59	8.82	-73.39
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300003920637	0	50	0.0	-82.91	398.38	11.13	-71.78
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300003920637	1	50	0.0	-81.86	398.36	11.14	-70.72
CC1(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC[NH+](CC2=CC=CC=C2)CC1	REAL300003920638	0	50	0.0	-68.89	377.35	9.71	-59.18
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003920673	0	47	0.0	-68.85	379.78	9.59	-59.26
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003920673	1	47	0.0	-69.32	379.95	9.59	-59.73
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300003920707	1	47	0.0	-70.47	368.61	9.27	-61.20
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300003920707	1	47	0.0	-70.44	368.56	9.28	-61.16
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300003920708	1	44	0.0	-69.04	347.78	8.25	-60.79
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300003920708	1	44	0.0	-69.16	347.66	8.25	-60.91
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300003920747	0	40	0.0	-85.40	332.78	6.68	-78.72
C[NH+](C)CCN1N=CC(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1C1=CC=CC=C1	REAL300003920752	0	50	0.0	-84.43	398.54	8.89	-75.54
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC([NH+]2CCOCC2)CC1	REAL300003920775	0	48	0.0	-83.02	355.25	6.37	-76.65
CC[N@H+](CC1=CC=C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003920790	0	49	0.0	-83.27	370.36	9.17	-74.10
CC[N@@H+](CC1=CC=C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1)C(C)C	REAL300003920790	1	49	0.0	-84.41	362.57	8.92	-75.49
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003920809	0	44	0.0	-74.46	348.17	8.55	-65.91
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003920809	1	44	0.0	-73.35	349.15	8.55	-64.80
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CC[NH+](C2CCSC2)CC1	REAL300003920810	0	45	0.0	-85.16	347.44	7.95	-77.21
C[NH+]1CCN(C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C2=CC=CC=C2)CC1	REAL300003920829	1	49	0.0	-71.60	376.94	7.36	-64.24
O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300003920830	0	48	0.0	-75.05	340.30	5.92	-69.13
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300003920838	0	50	0.0	-77.46	387.18	10.13	-67.33
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300003920838	1	50	0.0	-66.73	380.93	10.33	-56.40
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300003920875	1	48	0.0	-67.66	372.34	5.97	-61.69
CC[NH+](CC)C(C(=O)NC[C@H]1C[C@H]1C(=O)[O-])C1=CC=CC=C1	REAL300003920880	0	46	0.0	-67.79	342.92	8.57	-59.22
C[NH+](C)C(C(=O)NC[C@H]1C[C@H]1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300003920881	1	40	0.0	-69.29	334.98	8.08	-61.21
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300003920893	0	44	0.0	-86.42	345.92	8.65	-77.77
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300003920898	0	47	0.0	-77.93	362.94	9.34	-68.59
CCN1CCC([NH+]2CCC(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])CC2)CC1	REAL300003920903	0	55	0.0	-78.39	394.42	6.80	-71.59
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300003920905	0	57	0.0	-82.78	448.84	12.86	-69.92
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC[C@H]2C[C@H]2C(=O)[O-])=C1	REAL300003920905	1	57	0.0	-79.20	444.44	12.80	-66.40
CC1C[NH+](CC2=CC=C(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C2)CC(C)O1	REAL300003920909	1	51	0.0	-88.83	390.25	8.46	-80.37
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003920919	1	48	0.0	-83.98	377.80	8.62	-75.36
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003920919	1	48	0.0	-86.52	371.13	8.57	-77.95
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300003920934	0	47	0.0	-66.94	352.76	9.06	-57.88
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300003920934	1	47	0.0	-66.66	363.88	9.29	-57.37
CC1=C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=NN1C1=CC=[NH+]C=C1	REAL300003920935	1	38	0.0	-83.39	319.30	5.95	-77.44
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300003920942	0	47	0.0	-86.50	363.23	9.41	-77.09
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300003920952	0	57	0.0	-76.90	439.01	12.17	-64.73
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300003920952	1	57	0.0	-74.53	437.81	12.30	-62.23
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300003920957	1	45	0.0	-84.66	357.67	8.08	-76.58
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300003920957	1	45	0.0	-77.57	352.29	8.00	-69.57
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300003920961	0	54	0.0	-67.12	407.72	10.89	-56.23
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300003920961	1	54	0.0	-65.37	404.00	10.93	-54.44
CC(C(=O)NC[C@H]1C[C@H]1C(=O)[O-])[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003920969	0	53	0.0	-70.15	401.74	10.53	-59.62
COCCOCC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300003920990	0	47	0.0	-74.11	373.40	4.77	-69.34
COCCOCC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300003920990	1	47	0.0	-75.80	371.71	4.69	-71.11
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003920999	0	52	0.0	-80.40	399.57	8.28	-72.12
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1	REAL300003921000	1	46	0.0	-70.74	347.78	7.32	-63.42
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1	REAL300003921000	1	46	0.0	-70.38	358.89	7.55	-62.83
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1	REAL300003921001	1	46	0.0	-67.66	358.83	7.43	-60.23
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1	REAL300003921001	1	46	0.0	-72.28	357.09	7.44	-64.84
CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1	REAL300003921019	0	51	0.0	-74.49	382.12	6.12	-68.37
CC(C)N1CC[NH+](CCCC(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1	REAL300003921019	1	51	0.0	-76.28	379.76	6.02	-70.26
CC1=CC=CC(N2CC[NH+](CCC(=O)NC[C@H]3C[C@H]3C(=O)[O-])CC2)=C1	REAL300003921023	0	52	0.0	-78.13	399.51	8.15	-69.98
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300003921024	0	49	0.0	-78.03	378.07	7.48	-70.55
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300003921027	0	46	0.0	-70.16	353.28	7.61	-62.55
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300003921027	1	46	0.0	-76.00	359.55	7.49	-68.51
CC(C(=O)NC[C@H]1C[C@H]1C(=O)[O-])[N@@H+]1CCC2=CC=CC=C2C1	REAL300003921030	1	44	0.0	-69.26	341.99	8.43	-60.83
CC(C(=O)NC[C@H]1C[C@H]1C(=O)[O-])[N@H+]1CCC2=CC=CC=C2C1	REAL300003921030	1	44	0.0	-68.13	338.98	8.59	-59.54
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300003921053	0	47	0.0	-79.69	366.43	9.22	-70.47
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003921053	1	47	0.0	-80.32	368.32	9.28	-71.04
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300003921067	0	47	0.0	-69.14	364.77	9.52	-59.62
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300003921067	1	47	0.0	-75.97	371.03	9.33	-66.64
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1	REAL300003921068	1	43	0.0	-67.04	338.11	6.57	-60.47
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@H+]1CC1=CC=CC=N1	REAL300003921068	1	43	0.0	-73.06	341.58	6.86	-66.20
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300003921070	0	48	0.0	-78.41	373.54	6.79	-71.62
CN1C=CN=C1C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])CC1	REAL300003921089	1	47	0.0	-87.66	359.84	7.46	-80.20
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300003921102	0	52	0.0	-76.82	395.40	8.20	-68.62
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2	REAL300003921102	1	52	0.0	-78.45	397.98	8.10	-70.35
CC(C)[N@@H+]1CCC(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003921104	0	53	0.0	-77.58	393.43	7.79	-69.79
CC(C)[N@H+]1CCC(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C(C2=CN(C)N=C2)C1	REAL300003921104	1	53	0.0	-82.68	401.88	8.07	-74.61
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=N1	REAL300003921105	0	47	0.0	-85.97	367.51	6.91	-79.06
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=N1	REAL300003921105	1	47	0.0	-87.30	359.88	6.46	-80.84
C[NH+]1CCN(CC2=CC=CC(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])=C2)CC1	REAL300003921108	0	49	0.0	-82.15	380.30	6.96	-75.19
C[NH+]1CCN(CC2=CC=C(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003921109	0	49	0.0	-83.61	380.28	6.98	-76.63
CN1CC[NH+](CC2=CC=C(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003921109	1	49	0.0	-87.55	379.42	6.79	-80.76
CC[NH+](CC)CCOC1=CC=C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003921110	0	50	0.0	-84.76	382.86	8.41	-76.35
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300003921144	0	51	0.0	-90.31	394.57	6.66	-83.65
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300003921146	0	47	0.0	-68.49	358.43	9.46	-59.03
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300003921146	1	47	0.0	-68.47	360.09	9.53	-58.94
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300003921189	0	45	0.0	-70.37	359.05	5.59	-64.78
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300003921189	1	45	0.0	-70.33	357.19	5.53	-64.80
C[NH+](C)CC1=C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])OC2=CC=CC=C21	REAL300003921192	0	43	0.0	-60.62	342.80	7.89	-52.73
CC[NH+](CC)C(C(=O)NC[C@H]1C[C@H]1C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003921194	0	49	0.0	-68.54	383.94	9.34	-59.20
CC(C)C(C(=O)NC[C@H]1C[C@H]1C(=O)[O-])[NH+]1CC(C)OC(C)C1	REAL300003921217	1	50	0.0	-66.59	368.27	7.22	-59.37
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])=CC=C1N2	REAL300003921235	1	45	0.0	-84.12	356.68	7.97	-76.15
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])=CC=C1N2	REAL300003921235	1	45	0.0	-83.92	358.42	8.03	-75.89
CC1=CC=C(N2CCC(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])CC2)[NH+]=C1	REAL300003921275	1	46	0.0	-76.26	357.56	7.14	-69.12
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300003921278	0	52	0.0	-86.83	385.74	7.68	-79.15
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300003921306	0	47	0.0	-76.38	365.31	9.10	-67.28
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC[C@H]1C[C@H]1C(=O)[O-]	REAL300003921306	1	47	0.0	-76.25	365.09	9.09	-67.16
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003921319	0	48	0.0	-86.23	386.01	8.52	-77.71
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003921331	0	44	0.0	-82.08	348.62	7.65	-74.43
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC[C@H]2C[C@H]2C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003921349	0	46	0.0	-76.66	357.42	7.24	-69.42
CC(C)(C)[N@H+]1C[C@H](C(=O)NC[C@H]2C[C@H]2C(=O)[O-])[C@@H](C(F)(F)F)C1	REAL300003921349	1	46	0.0	-70.47	356.11	7.37	-63.10
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300003921493	0	48	0.0	-82.03	372.21	9.52	-72.51
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300003921493	1	48	0.0	-79.50	373.75	9.53	-69.97
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300003921519	1	47	0.0	-72.44	359.19	9.13	-63.31
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300003921519	1	47	0.0	-67.43	359.14	9.13	-58.30
C[NH+](C)CCOC1=CC=C(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])C=C1	REAL300003921835	0	44	0.0	-86.78	351.47	7.32	-79.46
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003921879	0	50	0.0	-76.82	384.94	10.08	-66.74
CC1C[N@H+](CC2=CC=C(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C2)CCO1	REAL300003921881	1	48	0.0	-88.79	369.03	7.72	-81.07
CC1C[N@@H+](CC2=CC=C(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])C=C2)CCO1	REAL300003921881	1	48	0.0	-88.72	370.77	7.79	-80.93
CC(C)(C)[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]2C(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300003921919	0	56	0.0	-87.34	419.45	10.53	-76.81
CC(C)(C)[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]2C(=O)[O-])[C@@H](C2=CC=C(F)C=C2F)C1	REAL300003921919	1	56	0.0	-87.34	419.45	10.53	-76.81
O=C([O-])C1CCC[N@H+](CC(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)C1	REAL300003922021	0	47	0.0	-52.10	374.78	7.90	-44.20
O=C([O-])C1CCC[N@@H+](CC(=O)NCCC2=CNC3=CC(F)=C(F)C=C23)C1	REAL300003922021	1	47	0.0	-54.20	376.69	8.34	-45.86
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C3OC4(C=CC3=C2)CCC4)C1	REAL300003922149	0	50	0.0	-52.58	378.92	9.79	-42.79
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C3OC4(C=CC3=C2)CCC4)C1	REAL300003922149	1	50	0.0	-52.51	384.15	9.72	-42.79
CCCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC=CC=C1	REAL300003922290	0	55	0.0	-45.90	403.14	12.64	-33.26
CCCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC=CC=C1	REAL300003922290	1	55	0.0	-46.63	402.46	12.03	-34.60
CC1(CC2=CC=C(F)C=C2)CCCN1C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003922400	0	53	0.0	-48.67	394.70	11.54	-37.13
CC1(CC2=CC=C(F)C=C2)CCCN1C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003922400	1	53	0.0	-49.38	394.56	11.54	-37.84
C[C@@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300003922516	0	45	0.0	-53.74	356.22	8.95	-44.79
C[C@@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300003922516	1	45	0.0	-54.92	356.32	8.95	-45.97
O=C([O-])C1CCC[N@H+](CC(=O)N[C@@H]2CCOC3=CC=C(Br)C=C32)C1	REAL300003922628	0	45	0.0	-51.36	363.12	7.87	-43.49
O=C([O-])C1CCC[N@@H+](CC(=O)N[C@@H]2CCOC3=CC=C(Br)C=C32)C1	REAL300003922628	1	45	0.0	-49.68	361.69	7.84	-41.84
O=C([O-])C1CCC[N@H+](CC(=O)NCC2=NC(CC3=CC=CC=C3F)=NO2)C1	REAL300003922801	1	48	0.0	-53.56	395.23	6.70	-46.86
O=C([O-])C1CCC[N@@H+](CC(=O)NCC2=NC(CC3=CC=CC=C3F)=NO2)C1	REAL300003922801	1	48	0.0	-51.38	389.04	6.67	-44.71
CC[C@H]1CN(C(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C[C@]1(F)C(=O)[O-]	REAL300003924146	0	53	0.0	-79.81	401.44	11.22	-68.59
CC[C@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C[C@]1(F)C(=O)[O-]	REAL300003924881	0	50	0.0	-53.68	382.33	10.56	-43.12
CC[C@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C[C@]1(F)C(=O)[O-]	REAL300003924881	1	50	0.0	-51.77	377.26	10.24	-41.53
CC[C@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(Cl)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003925729	1	50	0.0	-57.00	402.96	11.20	-45.80
CC[C@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(Cl)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003925729	1	50	0.0	-54.24	398.06	10.78	-43.46
CC[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@]1(F)C(=O)[O-]	REAL300003925807	0	47	0.0	-74.10	353.64	8.93	-65.17
CC[C@H]1CN(C(=O)C2CCC3=C[NH+]=C(C)N3C2)C[C@]1(F)C(=O)[O-]	REAL300003925842	1	45	0.0	-53.93	354.12	8.86	-45.07
CC[C@H]1CN(C(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C[C@]1(F)C(=O)[O-]	REAL300003925843	0	53	0.0	-53.54	395.35	10.87	-42.67
CC[C@H]1CN(C(=O)C2CC[NH+](CC3=CSC(C)=N3)CC2)C[C@]1(F)C(=O)[O-]	REAL300003925916	1	52	0.0	-79.01	409.18	9.03	-69.98
CC[C@H]1CN(C(=O)C(C)N2CC[NH+](C)CC2)C[C@]1(F)C(=O)[O-]	REAL300003925917	1	48	0.0	-72.51	350.87	5.70	-66.81
CC[C@H]1CN(C(=O)CCC2=CC=C(OCC[NH+](C)C)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926002	0	56	0.0	-66.46	437.72	10.96	-55.50
CC[C@H]1CN(C(=O)C2=CC=CC(C[N@H+](C)CC3=CC=CC=C3)=C2)C[C@]1(F)C(=O)[O-]	REAL300003926014	0	56	0.0	-74.15	434.64	12.87	-61.28
CC[C@H]1CN(C(=O)C2=CC=CC(C[N@@H+](C)CC3=CC=CC=C3)=C2)C[C@]1(F)C(=O)[O-]	REAL300003926014	1	56	0.0	-70.75	434.86	12.85	-57.90
CC[C@H]1CN(C(=O)C2(C)CC[NH+](CC3=CC=CC=C3)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926016	0	56	0.0	-68.50	407.70	11.26	-57.24
CC[C@H]1CN(C(=O)C2=CN3C=[NH+]C=C3C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926075	0	38	0.0	-61.03	317.15	9.54	-51.49
CC[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@]1(F)C(=O)[O-]	REAL300003926106	0	52	0.0	-55.75	360.65	8.98	-46.77
CC[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@]1(F)C(=O)[O-]	REAL300003926110	0	52	0.0	-58.80	382.10	9.80	-49.00
CC[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@]1(F)C(=O)[O-]	REAL300003926110	1	52	0.0	-58.81	382.06	9.80	-49.01
CC[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926132	1	53	0.0	-52.30	400.42	11.11	-41.19
CC[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=C(F)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926132	1	53	0.0	-56.23	395.38	10.88	-45.35
CC[C@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=C(F)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926133	1	50	0.0	-57.95	392.64	10.75	-47.20
CC[C@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=C(F)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926133	1	50	0.0	-55.11	387.73	10.34	-44.77
CC[C@H]1CN(C(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926192	0	46	0.0	-67.10	368.89	8.40	-58.70
CC[C@H]1CN(C(=O)C2CCCC[N@@H+]2C2CCCC2)C[C@]1(F)C(=O)[O-]	REAL300003926219	0	53	0.0	-51.79	371.36	9.82	-41.97
CC[C@H]1CN(C(=O)C2CCCC[N@H+]2C2CCCC2)C[C@]1(F)C(=O)[O-]	REAL300003926219	1	53	0.0	-50.22	378.83	9.90	-40.32
CC[C@H]1CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926220	0	54	0.0	-79.16	392.67	8.30	-70.86
CC[C@H]1CN(C(=O)CCCN2C=C[NH+]=C2C)C[C@]1(F)C(=O)[O-]	REAL300003926252	1	44	0.0	-58.07	354.70	9.10	-48.97
CC[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@]1(F)C(=O)[O-]	REAL300003926253	1	50	0.0	-64.73	381.93	7.79	-56.94
CC[C@H]1CN(C(=O)C2=CC=C(C[N@H+](CC)C(C)C)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926255	0	55	0.0	-63.30	396.61	10.42	-52.88
CC[C@H]1CN(C(=O)C2=CC=C(C[N@@H+](CC)C(C)C)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926255	1	55	0.0	-63.09	403.68	10.76	-52.33
CC[C@H]1CN(C(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C[C@]1(F)C(=O)[O-]	REAL300003926279	0	50	0.0	-60.76	384.75	10.50	-50.26
CC[C@H]1CN(C(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@]1(F)C(=O)[O-]	REAL300003926279	1	50	0.0	-61.69	382.35	10.52	-51.17
CC[C@H]1CN(C(=O)C2CC[NH+](C3CCSC3)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926280	0	51	0.0	-81.93	384.47	9.94	-71.99
CC[C@H]1CN(C(=O)C(C2=CC=CC=C2)N2CC[NH+](C)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926308	1	55	0.0	-60.98	417.24	9.20	-51.78
CC[C@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@]1(F)C(=O)[O-]	REAL300003926309	0	54	0.0	-59.43	380.40	8.06	-51.37
CCC(C(=O)N1C[C@H](CC)[C@@](F)(C(=O)[O-])C1)[NH+](CC)CC	REAL300003926313	0	48	0.0	-51.60	346.20	8.22	-43.38
CC[C@H]1CN(C(=O)C(C)[N@H+](C)CC2=CC=CC=C2)C[C@]1(F)C(=O)[O-]	REAL300003926315	0	49	0.0	-53.87	376.13	10.12	-43.75
CC[C@H]1CN(C(=O)C(C)[N@@H+](C)CC2=CC=CC=C2)C[C@]1(F)C(=O)[O-]	REAL300003926315	1	49	0.0	-54.00	376.28	10.06	-43.94
CC[C@H]1CN(C(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C[C@]1(F)C(=O)[O-]	REAL300003926326	0	56	0.0	-63.24	427.49	12.12	-51.12
CC[C@H]1CN(C(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C[C@]1(F)C(=O)[O-]	REAL300003926326	1	56	0.0	-57.43	417.74	12.27	-45.16
CC[C@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)N=C2)C[C@]1(F)C(=O)[O-]	REAL300003926352	0	45	0.0	-78.22	352.36	7.68	-70.54
CCC[NH+](CCC)CCCC(=O)N1C[C@H](CC)[C@@](F)(C(=O)[O-])C1	REAL300003926362	0	54	0.0	-61.17	401.76	10.13	-51.04
CC[C@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+]2CCC(O)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926363	1	54	0.0	-43.27	410.55	8.08	-35.19
CC[C@H]1CN(C(=O)C(C2=CC=CC=C2)[N@H+](C)CC)C[C@]1(F)C(=O)[O-]	REAL300003926364	0	49	0.0	-50.78	372.84	10.05	-40.73
CC[C@H]1CN(C(=O)C(C2=CC=CC=C2)[N@@H+](C)CC)C[C@]1(F)C(=O)[O-]	REAL300003926364	1	49	0.0	-51.47	373.16	10.11	-41.36
CC[C@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+](CC)CC)C[C@]1(F)C(=O)[O-]	REAL300003926369	0	52	0.0	-50.22	381.20	10.33	-39.89
CC[C@H]1CN(C(=O)CN2C=C[NH+]=C2C(C)C)C[C@]1(F)C(=O)[O-]	REAL300003926376	1	44	0.0	-52.52	347.59	8.90	-43.62
CC[C@H]1CN(C(=O)C(C2=CC=C(Cl)C=C2)[NH+](C)C)C[C@]1(F)C(=O)[O-]	REAL300003926379	1	46	0.0	-56.92	369.48	9.95	-46.97
CC[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926393	0	50	0.0	-67.83	385.28	10.47	-57.36
CC[C@H]1CN(C(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C[C@]1(F)C(=O)[O-]	REAL300003926400	0	53	0.0	-75.46	400.15	11.15	-64.31
CC[C@H]1CN(C(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926406	0	61	0.0	-76.53	435.52	8.98	-67.55
CC[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CC(C)OC(C)C3)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926413	1	57	0.0	-68.40	432.37	10.19	-58.21
CC[C@H]1CN(C(=O)CC2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@]1(F)C(=O)[O-]	REAL300003926424	1	54	0.0	-66.65	412.53	10.76	-55.89
CC[C@H]1CN(C(=O)CC2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@]1(F)C(=O)[O-]	REAL300003926424	1	54	0.0	-65.15	408.97	10.28	-54.87
CC[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC=C2)C[C@]1(F)C(=O)[O-]	REAL300003926440	0	53	0.0	-48.72	394.04	11.05	-37.67
CC[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC=C2)C[C@]1(F)C(=O)[O-]	REAL300003926440	1	53	0.0	-51.23	399.78	11.26	-39.97
CC[C@H]1CN(C(=O)C2=C(C)N(C3=CC=[NH+]C=C3)N=C2)C[C@]1(F)C(=O)[O-]	REAL300003926442	1	44	0.0	-79.75	352.44	7.62	-72.13
CC[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926450	0	53	0.0	-67.86	402.59	11.23	-56.63
CC[C@H]1CN(C(=O)C2=NOC(C[NH+]3CCCC3)=C2)C[C@]1(F)C(=O)[O-]	REAL300003926463	1	46	0.0	-71.61	366.36	8.54	-63.07
CC[C@H]1CN(C(=O)C2=CC=C(CC[NH+](C)C)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926464	0	49	0.0	-70.96	380.38	10.13	-60.83
CC[C@H]1CN(C(=O)C2=CC=C(C)[NH+]=C2NC)C[C@]1(F)C(=O)[O-]	REAL300003926475	1	42	0.0	-50.61	332.37	6.76	-43.85
CC[C@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CCO2)C[C@]1(F)C(=O)[O-]	REAL300003926476	1	51	0.0	-58.88	393.85	10.05	-48.83
CC[C@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CCO2)C[C@]1(F)C(=O)[O-]	REAL300003926476	1	51	0.0	-55.61	394.63	10.10	-45.51
CC[C@H]1CN(C(=O)C(C)[NH+]2CCC(CC3=CC=CC=C3)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926490	0	59	0.0	-56.52	429.03	12.27	-44.25
CC[C@H]1CN(C(=O)C(C)[NH+]2CCSCC2)C[C@]1(F)C(=O)[O-]	REAL300003926533	1	44	0.0	-54.92	341.50	8.11	-46.81
CC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]1(F)C(=O)[O-]	REAL300003926539	0	48	0.0	-54.49	353.47	8.74	-45.75
CC[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]1(F)C(=O)[O-]	REAL300003926539	1	48	0.0	-54.11	352.81	8.65	-45.46
CC[C@H]1CN(C(=O)C[N@H+](C)CCC2=CC=CC=C2)C[C@]1(F)C(=O)[O-]	REAL300003926541	0	49	0.0	-58.83	384.11	10.68	-48.15
CC[C@H]1CN(C(=O)C[N@@H+](C)CCC2=CC=CC=C2)C[C@]1(F)C(=O)[O-]	REAL300003926541	1	49	0.0	-59.46	382.82	10.60	-48.86
CC[C@H]1CN(C(=O)CC[N@H+](C)CCOCCOC)C[C@]1(F)C(=O)[O-]	REAL300003926542	0	53	0.0	-60.73	411.87	6.84	-53.89
CC[C@H]1CN(C(=O)CC[N@@H+](C)CCOCCOC)C[C@]1(F)C(=O)[O-]	REAL300003926542	1	53	0.0	-59.99	411.81	6.84	-53.15
CC[C@H]1CN(C(=O)CC2(O)CCC[N@H+](C)C2)C[C@]1(F)C(=O)[O-]	REAL300003926546	0	47	0.0	-58.60	354.18	6.66	-51.94
CC[C@H]1CN(C(=O)CC2(O)CCC[N@@H+](C)C2)C[C@]1(F)C(=O)[O-]	REAL300003926546	1	47	0.0	-59.63	351.13	6.67	-52.96
CC[C@H]1CN(C(=O)CCC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926556	0	58	0.0	-65.68	437.97	10.35	-55.33
CC[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=NC=C2)C[C@]1(F)C(=O)[O-]	REAL300003926557	1	52	0.0	-52.66	389.04	9.29	-43.37
CC[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=NC=C2)C[C@]1(F)C(=O)[O-]	REAL300003926557	1	52	0.0	-55.46	389.16	9.29	-46.17
CCCCCC[N@H+](C)CC(=O)N1C[C@H](CC)[C@@](F)(C(=O)[O-])C1	REAL300003926560	0	51	0.0	-56.59	387.40	9.94	-46.65
CCCCCC[N@@H+](C)CC(=O)N1C[C@H](CC)[C@@](F)(C(=O)[O-])C1	REAL300003926560	1	51	0.0	-55.92	388.69	10.00	-45.92
CC[C@H]1CN(C(=O)C2=CC3=C[NH+]=CN3C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926574	1	38	0.0	-62.25	319.45	9.63	-52.62
CC[C@H]1CN(C(=O)C[N@H+](C)C2CCSC2)C[C@]1(F)C(=O)[O-]	REAL300003926592	0	44	0.0	-60.35	341.21	8.44	-51.91
CC[C@H]1CN(C(=O)C[N@@H+](C)C2CCSC2)C[C@]1(F)C(=O)[O-]	REAL300003926592	1	44	0.0	-60.00	342.94	8.42	-51.58
CC[C@H]1CN(C(=O)CCN2CC[NH+](C(C)C)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926607	0	54	0.0	-60.54	396.37	7.20	-53.34
CC[C@H]1CN(C(=O)CC[NH+]2CCN(C(C)C)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926607	1	54	0.0	-58.37	399.65	7.42	-50.95
CC[C@H]1CN(C(=O)CCCN2CC[NH+](C(C)C)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926608	0	57	0.0	-60.72	421.84	8.24	-52.48
CC[C@H]1CN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926608	1	57	0.0	-61.72	419.92	8.16	-53.56
CC[C@H]1CN(C(=O)C2CCCC3CCC[N@@H+]32)C[C@]1(F)C(=O)[O-]	REAL300003926609	0	47	0.0	-49.47	342.61	8.69	-40.78
CC[C@H]1CN(C(=O)C2CCCC3CCC[N@H+]32)C[C@]1(F)C(=O)[O-]	REAL300003926609	1	47	0.0	-49.38	348.24	8.81	-40.57
CC[C@H]1CN(C(=O)C2=CN(CC[NH+](C)C)N=C2)C[C@]1(F)C(=O)[O-]	REAL300003926611	0	46	0.0	-71.78	360.97	7.31	-64.47
CC[C@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC(C)=C3)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926618	0	58	0.0	-62.57	439.22	10.27	-52.30
CC[C@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=C3)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926620	0	55	0.0	-62.61	417.79	9.60	-53.01
CC[C@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CN=C3)C2)C[C@]1(F)C(=O)[O-]	REAL300003926623	0	52	0.0	-61.45	400.79	9.46	-51.99
CC[C@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CN=C3)C2)C[C@]1(F)C(=O)[O-]	REAL300003926623	1	52	0.0	-64.44	393.15	9.22	-55.22
CC[C@H]1CN(C(=O)C(C)[N@@H+]2CCC3=CC=CC=C3C2)C[C@]1(F)C(=O)[O-]	REAL300003926628	1	50	0.0	-69.63	380.78	10.57	-59.06
CC[C@H]1CN(C(=O)C(C)[N@H+]2CCC3=CC=CC=C3C2)C[C@]1(F)C(=O)[O-]	REAL300003926628	1	50	0.0	-54.08	377.51	10.53	-43.55
CC[C@H]1CN(C(=O)CC2CC[N@H+](CC3=CC=CC=C3)C2)C[C@]1(F)C(=O)[O-]	REAL300003926656	0	53	0.0	-64.76	403.94	11.34	-53.42
CC[C@H]1CN(C(=O)CC2CC[N@@H+](CC3=CC=CC=C3)C2)C[C@]1(F)C(=O)[O-]	REAL300003926656	1	53	0.0	-64.59	407.58	11.43	-53.16
CC[C@H]1CN(C(=O)C2=NN(CC[NH+](C)C)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926671	0	46	0.0	-68.50	362.62	7.92	-60.58
CC[C@H]1CN(C(=O)C2=CC=NN2CC[NH+](C)C)C[C@]1(F)C(=O)[O-]	REAL300003926672	0	46	0.0	-60.92	355.86	7.33	-53.59
CCC1=[NH+]C=CN1C(C)CC(=O)N1C[C@H](CC)[C@@](F)(C(=O)[O-])C1	REAL300003926678	1	47	0.0	-53.65	369.62	9.42	-44.23
CC[C@@H]1[C@@H](C(=O)N2C[C@H](CC)[C@@](F)(C(=O)[O-])C2)CC[N@@H+]1C	REAL300003926681	0	46	0.0	-59.07	341.35	7.84	-51.23
CC[C@@H]1[C@@H](C(=O)N2C[C@H](CC)[C@@](F)(C(=O)[O-])C2)CC[N@H+]1C	REAL300003926681	1	46	0.0	-58.30	339.72	8.17	-50.13
CC[C@H]1CN(C(=O)C2=NNC(C3CCC[N@@H+]3C)=C2)C[C@]1(F)C(=O)[O-]	REAL300003926684	1	47	0.0	-70.07	358.91	7.11	-62.96
CC[C@H]1CN(C(=O)C2=NNC(C3CCC[N@H+]3C)=C2)C[C@]1(F)C(=O)[O-]	REAL300003926684	1	47	0.0	-70.69	359.22	7.12	-63.57
CC[C@H]1CN(C(=O)C2C[N@H+](C)CC(C)O2)C[C@]1(F)C(=O)[O-]	REAL300003926690	1	44	0.0	-85.26	331.58	6.81	-78.45
CC[C@H]1CN(C(=O)C2C[N@@H+](C)CC(C)O2)C[C@]1(F)C(=O)[O-]	REAL300003926690	1	44	0.0	-62.09	335.92	7.18	-54.91
CC[C@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC(F)=C3)C2)C[C@]1(F)C(=O)[O-]	REAL300003926696	0	53	0.0	-61.30	412.32	11.37	-49.93
CC[C@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC(F)=C3)C2)C[C@]1(F)C(=O)[O-]	REAL300003926696	1	53	0.0	-64.29	406.73	11.16	-53.13
CC[C@H]1CN(C(=O)C2CCC[N@@H+]2CC2=CC=CC=N2)C[C@]1(F)C(=O)[O-]	REAL300003926697	1	49	0.0	-41.09	376.11	8.69	-32.40
CC[C@H]1CN(C(=O)C2CCC[N@H+]2CC2=CC=CC=N2)C[C@]1(F)C(=O)[O-]	REAL300003926697	1	49	0.0	-52.82	380.27	8.90	-43.92
CC[C@H]1CN(C(=O)C(C)C[NH+]2CCOCC2)C[C@]1(F)C(=O)[O-]	REAL300003926702	0	47	0.0	-59.43	351.95	6.70	-52.73
CC[C@H]1CN(C(=O)CC[NH+]2CCN(C3=CC=CC=N3)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926703	0	54	0.0	-62.38	415.52	9.02	-53.36
CC[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926712	0	46	0.0	-54.85	346.27	8.65	-46.20
CC[C@H]1CN(C(=O)C2C[N@H+](CC)CCO2)C[C@]1(F)C(=O)[O-]	REAL300003926726	1	44	0.0	-59.08	335.07	7.14	-51.94
CC[C@H]1CN(C(=O)C2C[N@@H+](CC)CCO2)C[C@]1(F)C(=O)[O-]	REAL300003926726	1	44	0.0	-55.66	327.75	6.96	-48.70
CC[C@H]1CN(C(=O)C2CC[N@@H+](C3CCCCC3)C2)C[C@]1(F)C(=O)[O-]	REAL300003926762	0	53	0.0	-57.09	387.30	9.98	-47.11
CC[C@H]1CN(C(=O)C2CC[N@H+](C3CCCCC3)C2)C[C@]1(F)C(=O)[O-]	REAL300003926762	1	53	0.0	-55.70	386.59	10.00	-45.70
CC[C@H]1CN(C(=O)CCC2CCC[N@@H+]2C)C[C@]1(F)C(=O)[O-]	REAL300003926770	0	46	0.0	-59.88	346.91	8.28	-51.60
CC[C@H]1CN(C(=O)CCC2CCC[N@H+]2C)C[C@]1(F)C(=O)[O-]	REAL300003926770	1	46	0.0	-57.22	348.51	8.60	-48.62
CC[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@]1(F)C(=O)[O-]	REAL300003926782	0	47	0.0	-73.30	328.27	7.82	-65.48
CC[C@H]1CN(C(=O)C2(C)CC(O)C[N@@H+]2C)C[C@]1(F)C(=O)[O-]	REAL300003926786	0	44	0.0	-43.52	320.04	3.94	-39.58
CC[C@H]1CN(C(=O)C2(C)CC(O)C[N@H+]2C)C[C@]1(F)C(=O)[O-]	REAL300003926786	1	44	0.0	-58.54	323.08	3.53	-55.01
CC[C@H]1CN(C(=O)C2CCC3CCCC[N@@H+]32)C[C@]1(F)C(=O)[O-]	REAL300003926787	0	47	0.0	-49.88	349.35	8.96	-40.92
CC[C@H]1CN(C(=O)C2CCC3CCCC[N@H+]32)C[C@]1(F)C(=O)[O-]	REAL300003926787	1	47	0.0	-50.87	342.95	8.61	-42.26
CC[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@]1(F)C(=O)[O-]	REAL300003926795	0	50	0.0	-61.63	354.63	6.84	-54.79
CC[C@H]1CN(C(=O)C2CC[N@@H+](C(C)C)CC2C2=CN(C)N=C2)C[C@]1(F)C(=O)[O-]	REAL300003926800	0	59	0.0	-83.79	437.38	9.61	-74.18
CC[C@H]1CN(C(=O)C2CC[N@H+](C(C)C)CC2C2=CN(C)N=C2)C[C@]1(F)C(=O)[O-]	REAL300003926800	1	59	0.0	-66.58	438.21	9.62	-56.96
CC[C@H]1CN(C(=O)C2CC[N@H+](C)CC2C2=CN(C)N=C2)C[C@]1(F)C(=O)[O-]	REAL300003926801	0	53	0.0	-63.81	410.00	8.96	-54.85
CC[C@H]1CN(C(=O)C2CC[N@@H+](C)CC2C2=CN(C)N=C2)C[C@]1(F)C(=O)[O-]	REAL300003926801	1	53	0.0	-65.06	396.12	8.51	-56.55
CC[C@H]1CN(C(=O)C2=CC=CC(CN3CC[NH+](C)CC3)=C2)C[C@]1(F)C(=O)[O-]	REAL300003926806	0	55	0.0	-74.24	416.54	8.70	-65.54
CC[C@H]1CN(C(=O)C2=CC=C(CN3CC[NH+](C)CC3)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926807	0	55	0.0	-67.59	416.51	8.70	-58.89
CC[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCN(C)CC3)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926807	1	55	0.0	-67.05	415.19	8.55	-58.50
CC[C@H]1CN(C(=O)C2=CC=C(OCC[NH+](CC)CC)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926808	0	56	0.0	-65.60	418.22	10.08	-55.52
CC[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@]1(F)C(=O)[O-]	REAL300003926815	0	49	0.0	-73.83	359.57	8.89	-64.94
CC[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCC(CO)CC3)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003926939	0	57	0.0	-71.25	431.13	8.44	-62.81
CC[C@H]1CN(C(=O)C[NH+]2C(C)CCC2C)C[C@]1(F)C(=O)[O-]	REAL300003926944	0	46	0.0	-51.96	338.07	8.05	-43.91
CC[C@H]1CN(C(=O)C2=CC=CC(C[NH+](C)C)=C2)C[C@]1(F)C(=O)[O-]	REAL300003926945	0	46	0.0	-77.20	358.53	9.29	-67.91
CC[C@H]1CN(C(=O)C2CCC[N@H+](CC3=CC=CC=C3)C2)C[C@]1(F)C(=O)[O-]	REAL300003926946	0	53	0.0	-58.22	397.40	11.44	-46.78
CC[C@H]1CN(C(=O)C2CCC[N@@H+](CC3=CC=CC=C3)C2)C[C@]1(F)C(=O)[O-]	REAL300003926946	1	53	0.0	-59.90	400.35	11.09	-48.81
C#CC[NH+]1CCC(C(=O)N2C[C@H](CC)[C@@](F)(C(=O)[O-])C2)CC1	REAL300003927013	0	45	0.0	-77.82	349.92	8.85	-68.97
CCC[N@@H+]1CCCCC1C(=O)N1C[C@H](CC)[C@@](F)(C(=O)[O-])C1	REAL300003927015	0	49	0.0	-45.44	363.12	9.15	-36.29
CCC[N@H+]1CCCCC1C(=O)N1C[C@H](CC)[C@@](F)(C(=O)[O-])C1	REAL300003927015	1	49	0.0	-50.41	356.63	8.86	-41.55
CC[C@H]1CN(C(=O)C2=CC=CC=C2C[NH+](C)C)C[C@]1(F)C(=O)[O-]	REAL300003927017	0	46	0.0	-57.80	357.40	9.35	-48.45
CC[C@H]1CN(C(=O)CCN2CC[NH+](CC)CC2)C[C@]1(F)C(=O)[O-]	REAL300003927019	0	51	0.0	-61.77	383.08	6.88	-54.89
CC[C@H]1CN(C(=O)CC[NH+]2CCN(CC)CC2)C[C@]1(F)C(=O)[O-]	REAL300003927019	1	51	0.0	-58.45	383.09	6.87	-51.58
CC[C@H]1CN(C(=O)C(C(C)C)[NH+]2CCCCC2)C[C@]1(F)C(=O)[O-]	REAL300003927021	0	52	0.0	-51.00	367.80	9.17	-41.83
CC[C@H]1CN(C(=O)C(C2=CC=CC=C2)[NH+](C)C)C[C@]1(F)C(=O)[O-]	REAL300003927022	1	46	0.0	-53.29	354.14	9.44	-43.85
CC[C@H]1CN(C(=O)C2(O)CC[N@H+](CC3=CC=CC=C3)C2)C[C@]1(F)C(=O)[O-]	REAL300003927026	0	51	0.0	-58.85	396.25	7.67	-51.18
CC[C@H]1CN(C(=O)C2(O)CC[N@@H+](CC3=CC=CC=C3)C2)C[C@]1(F)C(=O)[O-]	REAL300003927026	1	51	0.0	-56.82	395.74	7.65	-49.17
CC[C@H]1CN(C(=O)CCN2C=C[NH+]=C2C(C)C)C[C@]1(F)C(=O)[O-]	REAL300003927032	1	47	0.0	-53.02	370.43	9.42	-43.60
CC[C@H]1CN(C(=O)C2=C(C[NH+](C)C)C3=CC=CC=C3O2)C[C@]1(F)C(=O)[O-]	REAL300003927033	0	49	0.0	-64.30	377.14	10.06	-54.24
CC[C@H]1CN(C(=O)C2CCC[N@@H+]2C2CCCC2)C[C@]1(F)C(=O)[O-]	REAL300003927039	0	50	0.0	-49.11	357.70	9.46	-39.65
CC[C@H]1CN(C(=O)C2CCC[N@H+]2C2CCCC2)C[C@]1(F)C(=O)[O-]	REAL300003927039	1	50	0.0	-53.24	351.96	9.46	-43.78
CC[C@H]1CN(C(=O)C(C(C)C)[NH+]2CC(C)OC(C)C2)C[C@]1(F)C(=O)[O-]	REAL300003927067	1	56	0.0	-44.68	396.09	8.03	-36.65
CC[C@H]1CN(C(=O)C(C)[NH+]2CCCCCC2)C[C@]1(F)C(=O)[O-]	REAL300003927068	0	49	0.0	-50.53	351.02	8.53	-42.00
CC[C@H]1CN(C(=O)C2=CC=C3NC4=C(C[N@H+](C)CC4)C3=C2)C[C@]1(F)C(=O)[O-]	REAL300003927103	1	51	0.0	-79.42	390.78	9.65	-69.77
CC[C@H]1CN(C(=O)C2=CC=C3NC4=C(C[N@@H+](C)CC4)C3=C2)C[C@]1(F)C(=O)[O-]	REAL300003927103	1	51	0.0	-76.48	393.01	9.70	-66.78
CC[C@H]1CN(C(=O)C2=CC=C(C[NH+](CC)CC)O2)C[C@]1(F)C(=O)[O-]	REAL300003927161	0	49	0.0	-59.56	382.15	9.44	-50.12
CC[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@]1(F)C(=O)[O-]	REAL300003927162	0	49	0.0	-61.43	375.61	9.55	-51.88
CC[C@H]1CN(C(=O)C2CCN(C3=CC=C(C)C=[NH+]3)CC2)C[C@]1(F)C(=O)[O-]	REAL300003927164	1	52	0.0	-58.23	397.85	9.14	-49.09
CC[C@H]1CN(C(=O)C[N@H+](C)CC2=CC=CC=C2)C[C@]1(F)C(=O)[O-]	REAL300003927165	1	46	0.0	-58.15	360.30	9.78	-48.37
CC[C@H]1CN(C(=O)C[N@@H+](C)CC2=CC=CC=C2)C[C@]1(F)C(=O)[O-]	REAL300003927165	1	46	0.0	-57.35	361.63	9.84	-47.51
CC[C@H]1CN(C(=O)C2=CC=C(N3CC[NH+](C(C)C)CC3)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003927169	0	58	0.0	-67.18	426.31	9.61	-57.57
CC[C@H]1CN(C(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C[C@]1(F)C(=O)[O-]	REAL300003927184	1	41	0.0	-71.40	335.96	7.25	-64.15
CC[C@H]1CN(C(=O)C2=NOC(C[NH+](C)C)=C2)C[C@]1(F)C(=O)[O-]	REAL300003927213	1	42	0.0	-73.25	336.09	7.38	-65.87
CC[C@H]1CN(C(=O)C2C[N@H+](CC3=CC=CC=C3)CC2C)C[C@]1(F)C(=O)[O-]	REAL300003927218	0	53	0.0	-59.98	405.64	11.38	-48.60
CC[C@H]1CN(C(=O)C2C[N@@H+](CC3=CC=CC=C3)CC2C)C[C@]1(F)C(=O)[O-]	REAL300003927218	1	53	0.0	-60.50	403.90	11.32	-49.18
CC[C@H]1CN(C(=O)C2CCC[N@@H+]2C(C)C)C[C@]1(F)C(=O)[O-]	REAL300003927237	0	46	0.0	-52.68	337.78	8.13	-44.55
CC[C@H]1CN(C(=O)C2CCC[N@H+]2C(C)C)C[C@]1(F)C(=O)[O-]	REAL300003927237	1	46	0.0	-52.81	333.35	8.48	-44.33
CC[C@H]1CN(C(=O)C=CC2=CC=C(OCC[NH+](C)C)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003927243	0	54	0.0	-68.54	425.23	10.64	-57.90
CC[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@]1(F)C(=O)[O-]	REAL300003927260	0	47	0.0	-65.87	363.64	8.33	-57.54
CC[C@H]1CN(C(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C[C@]1(F)C(=O)[O-]	REAL300003927266	0	50	0.0	-61.05	387.06	9.83	-51.22
CC[C@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C[C@]1(F)C(=O)[O-]	REAL300003927307	0	52	0.0	-58.07	392.54	9.21	-48.86
CC[C@H]1CN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2C(F)(F)F)C[C@]1(F)C(=O)[O-]	REAL300003927307	1	52	0.0	-51.29	393.19	9.26	-42.03
CCC[N@@H+]1CCCC(C(=O)N2C[C@H](CC)[C@@](F)(C(=O)[O-])C2)C1	REAL300003927454	0	49	0.0	-58.60	363.03	8.92	-49.68
CCC[N@H+]1CCCC(C(=O)N2C[C@H](CC)[C@@](F)(C(=O)[O-])C2)C1	REAL300003927454	1	49	0.0	-56.91	368.52	9.13	-47.78
CC[C@H]1CN(C(=O)C2CCC[N@@H+]2CC(C)C)C[C@]1(F)C(=O)[O-]	REAL300003927488	0	49	0.0	-52.63	359.53	8.78	-43.85
CC[C@H]1CN(C(=O)C2CCC[N@H+]2CC(C)C)C[C@]1(F)C(=O)[O-]	REAL300003927488	1	49	0.0	-49.07	364.99	9.20	-39.87
CC[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@]1(F)C(=O)[O-]	REAL300003927489	1	47	0.0	-57.47	357.10	5.34	-52.13
CC[C@H]1CN(C(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C[C@]1(F)C(=O)[O-]	REAL300003927586	0	54	0.0	-58.74	407.81	11.39	-47.35
CC[C@H]1CN(C(=O)[C@]23CC[C@H]2C[N@@H+](CC2=CC=CC=C2)C3)C[C@]1(F)C(=O)[O-]	REAL300003927586	1	54	0.0	-58.43	408.17	11.35	-47.08
CC[C@H]1CN(C(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C[C@]1(F)C(=O)[O-]	REAL300003927623	1	53	0.0	-54.57	407.33	11.35	-43.22
CC[C@H]1CN(C(=O)C2CCCC[N@H+]2CC2=CC=CC(F)=C2)C[C@]1(F)C(=O)[O-]	REAL300003927623	1	53	0.0	-50.73	408.59	11.38	-39.35
CC[C@H]1CN(C(=O)C2CCC[N@@H+](C(C)C)C2)C[C@]1(F)C(=O)[O-]	REAL300003927713	0	49	0.0	-66.36	362.01	8.89	-57.47
CC[C@H]1CN(C(=O)C2CCC[N@H+](C(C)C)C2)C[C@]1(F)C(=O)[O-]	REAL300003927713	1	49	0.0	-64.65	353.05	8.96	-55.69
CC[C@H]1CN(C(=O)C2C[N@H+](C)CC2C(F)(F)F)C[C@]1(F)C(=O)[O-]	REAL300003927714	0	43	0.0	-62.14	343.41	7.75	-54.39
CC[C@H]1CN(C(=O)C2C[N@@H+](C)CC2C(F)(F)F)C[C@]1(F)C(=O)[O-]	REAL300003927714	1	43	0.0	-58.90	341.04	7.66	-51.24
CC[C@H]1CN(C(=O)CCC2=[NH+]C(C)=C(C)N2)C[C@]1(F)C(=O)[O-]	REAL300003927739	1	44	0.0	-53.57	355.19	7.55	-46.02
CC[C@H]1CN(C(=O)C2=CC=CC(CC[NH+](C)C)=C2)C[C@]1(F)C(=O)[O-]	REAL300003928218	0	49	0.0	-79.06	381.07	10.14	-68.92
CC[C@H]1CN(C(=O)C2=CC=C(OCC[NH+](C)C)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003928225	0	50	0.0	-67.60	386.89	9.02	-58.58
CC[C@H]1CN(C(=O)CC2CC[NH+](CC3=CC=CC=C3)CC2)C[C@]1(F)C(=O)[O-]	REAL300003928317	0	56	0.0	-63.30	424.70	12.21	-51.09
CC[C@H]1CN(C(=O)C2=CC=C(C[N@@H+]3CCOC(C)C3)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003928319	1	54	0.0	-68.52	405.61	9.42	-59.10
CC[C@H]1CN(C(=O)C2=CC=C(C[N@H+]3CCOC(C)C3)C=C2)C[C@]1(F)C(=O)[O-]	REAL300003928319	1	54	0.0	-71.87	411.35	9.50	-62.37
CC[C@H]1CN(C(=O)[C@H]2CC[C@@H]([NH+](C)C)CC2)C[C@]1(F)C(=O)[O-]	REAL300003928364	0	49	0.0	-63.41	351.67	8.61	-54.80
CC[C@H]1CN(C(=O)C2CCC[N@H+](CC(C)C)C2)C[C@]1(F)C(=O)[O-]	REAL300003928432	0	52	0.0	-62.96	384.01	9.83	-53.13
CC[C@H]1CN(C(=O)C2CCC[N@@H+](CC(C)C)C2)C[C@]1(F)C(=O)[O-]	REAL300003928432	1	52	0.0	-62.96	384.01	9.83	-53.13
CC[C@H]1CN(C(=O)C2CCC[N@H+](CC)C2)C[C@]1(F)C(=O)[O-]	REAL300003928433	0	46	0.0	-59.05	339.65	8.18	-50.87
CC[C@H]1CN(C(=O)C2CCC[N@@H+](CC)C2)C[C@]1(F)C(=O)[O-]	REAL300003928433	1	46	0.0	-59.05	339.65	8.18	-50.87
CC[C@H]1CN(C(=O)C2=CC=C(CN(C)C)O2)C[C@]1(F)C(=O)[O-]	REAL300003928439	0	43	0.0	-61.96	342.19	7.94	-54.02
CC[C@H]1CN(C(=O)C2=CC=C(C[NH+](C)C)O2)C[C@]1(F)C(=O)[O-]	REAL300003928439	1	43	0.0	-61.96	342.19	7.94	-54.02
CC[C@H]1CN(C(=O)C(C)(C)C2CCC[N@H+](C)C2)C[C@]1(F)C(=O)[O-]	REAL300003928445	0	52	0.0	-58.92	368.27	8.75	-50.17
CC[C@H]1CN(C(=O)C(C)(C)C2CCC[N@@H+](C)C2)C[C@]1(F)C(=O)[O-]	REAL300003928445	1	52	0.0	-58.92	368.27	8.75	-50.17
CC[C@H]1CN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)C[C@]1(F)C(=O)[O-]	REAL300003928448	0	45	0.0	-50.24	338.53	9.52	-40.72
O=C([O-])C1CC2(C1)CC(NC(=O)C1CC[NH+](CC3=CC=CC=C3)CC1)CCO2	REAL300003929546	0	58	0.0	-79.67	435.85	10.06	-69.61
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)CCO2	REAL300003930179	0	55	0.0	-70.34	412.50	8.96	-61.38
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)CCO2	REAL300003930179	1	55	0.0	-74.06	418.92	9.48	-64.58
O=C([O-])C1CC2(C1)CC(NC(=O)C1CC[NH+](C3CC3)CC1)CCO2	REAL300003931070	0	52	0.0	-77.09	383.43	7.64	-69.45
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@@H+]1C1CC1)CCO2	REAL300003931096	0	49	0.0	-66.09	370.58	7.33	-58.76
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@H+]1C1CC1)CCO2	REAL300003931096	1	49	0.0	-69.56	366.51	7.15	-62.41
CC1=[NH+]C=C2CCC(C(=O)NC3CCOC4(CC(C(=O)[O-])C4)C3)CN21	REAL300003931102	1	50	0.0	-69.55	381.64	7.51	-62.04
O=C([O-])C1CC2(C1)CC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)CCO2	REAL300003931103	0	58	0.0	-71.28	438.32	9.98	-61.30
C[N@@H+]1CCCCC1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931184	0	48	0.0	-68.79	347.35	6.26	-62.53
C[N@H+]1CCCCC1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931184	1	48	0.0	-72.27	355.57	6.38	-65.89
CC(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)N1CC[NH+](C)CC1	REAL300003931185	1	53	0.0	-74.74	387.26	4.62	-70.12
C[N@@H+]1CCCC[C@H]1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931227	0	48	0.0	-66.85	356.66	6.43	-60.42
C[N@H+]1CCCC[C@H]1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931227	1	48	0.0	-70.30	347.36	6.26	-64.04
C[NH+]1CCC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003931315	0	48	0.0	-79.92	358.59	6.44	-73.48
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CN3C=[NH+]C=C3C=C1)CCO2	REAL300003931340	0	43	0.0	-73.52	344.88	8.34	-65.18
C[NH+](C)CC1(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CCCCC1	REAL300003931373	0	57	0.0	-68.24	403.59	8.20	-60.04
C[N@H+](CCC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1CCCCC1	REAL300003931378	0	57	0.0	-77.17	412.41	8.37	-68.80
C[N@@H+](CCC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1CCCCC1	REAL300003931378	1	57	0.0	-76.84	412.41	8.36	-68.48
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)CCO2	REAL300003931395	1	55	0.0	-76.32	426.41	9.61	-66.71
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)CCO2	REAL300003931395	1	55	0.0	-76.72	423.38	9.50	-67.22
C[NH+]1CCC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003931448	0	48	0.0	-79.92	358.59	6.44	-73.48
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(NC3=CC=[NH+]C=C3)C=C1)CCO2	REAL300003931453	0	51	0.0	-78.42	403.95	7.47	-70.95
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)CCO2	REAL300003931476	0	58	0.0	-70.34	407.55	8.72	-61.62
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC[N@H+]1C1CCCC1)CCO2	REAL300003931476	1	58	0.0	-66.69	412.12	8.61	-58.08
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC([NH+]3CCOCC3)CC1)CCO2	REAL300003931477	0	59	0.0	-78.02	426.46	7.12	-70.90
CC1=[NH+]C=CN1CCCC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931510	1	49	0.0	-72.86	384.98	7.68	-65.18
O=C(CCCC[NH+]1CCOCC1)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931511	1	55	0.0	-79.37	412.27	6.37	-73.00
CC[N@H+](CC1=CC=C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=C1)C(C)C	REAL300003931514	0	60	0.0	-82.10	433.32	9.72	-72.38
CC[N@@H+](CC1=CC=C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=C1)C(C)C	REAL300003931514	1	60	0.0	-79.96	431.51	9.45	-70.51
O=C([O-])C1CC2(C1)CC(NC(=O)C1CC[N@H+](CC3=CC=CC=C3)C1)CCO2	REAL300003931564	0	55	0.0	-76.73	418.69	9.20	-67.53
O=C([O-])C1CC2(C1)CC(NC(=O)C1CC[N@@H+](CC3=CC=CC=C3)C1)CCO2	REAL300003931564	1	55	0.0	-74.60	419.77	9.32	-65.28
O=C([O-])C1CC2(C1)CC(NC(=O)C1CC[NH+](C3CCSC3)CC1)CCO2	REAL300003931565	0	56	0.0	-84.99	417.79	8.66	-76.33
O=C(CC1([NH+]2CCOCC2)CCCC1)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931590	0	59	0.0	-73.74	411.45	6.67	-67.07
CCC(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)[NH+](CC)CC	REAL300003931594	0	53	0.0	-68.81	376.59	6.79	-62.02
CC(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300003931596	0	54	0.0	-75.47	408.97	8.78	-66.69
CC(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003931596	1	54	0.0	-74.40	408.90	8.79	-65.61
C[NH+](C)CC1=CC=C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=N1	REAL300003931628	0	50	0.0	-78.25	388.63	6.85	-71.40
CCC[NH+](CCC)CCCC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931637	0	59	0.0	-76.13	432.08	8.70	-67.43
CC[N@H+](C)C(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1=CC=CC=C1	REAL300003931638	0	54	0.0	-71.26	398.00	8.68	-62.58
CC[N@@H+](C)C(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1=CC=CC=C1	REAL300003931638	1	54	0.0	-69.36	407.40	8.90	-60.46
C[N@@H+]1CCOC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003931640	1	46	0.0	-80.31	344.20	5.07	-75.24
C[N@H+]1CCOC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003931640	1	46	0.0	-77.92	345.30	5.10	-72.82
CC[NH+](CC)C(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1=CC=CC=C1	REAL300003931643	0	57	0.0	-71.33	413.39	9.28	-62.05
CC(C)C1=[NH+]C=CN1CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931652	1	49	0.0	-69.92	379.76	7.52	-62.40
C[NH+](C)C(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1=CC=C(Cl)C=C1	REAL300003931657	1	51	0.0	-74.92	405.45	8.79	-66.13
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(C[NH+]3CCCC3)C=C1)CCO2	REAL300003931670	0	55	0.0	-82.67	416.97	9.42	-73.25
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=CC(C[NH+]3CCCCC3)=C1)CCO2	REAL300003931678	0	58	0.0	-75.04	434.42	10.17	-64.87
C[NH+](C)CC1(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003931684	0	48	0.0	-77.10	361.90	6.71	-70.39
C[NH+](C)CCCCC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931693	0	50	0.0	-77.53	379.36	6.92	-70.61
CC(C)C(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300003931702	0	50	0.0	-72.95	361.43	7.00	-65.95
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)CCO2	REAL300003931715	0	58	0.0	-67.78	433.35	9.96	-57.82
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)CCO2	REAL300003931715	1	58	0.0	-67.79	433.69	9.95	-57.84
CC1=C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=NN1C1=CC=[NH+]C=C1	REAL300003931717	1	49	0.0	-80.79	388.88	6.68	-74.11
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(C[NH+]3CCCCC3)C=C1)CCO2	REAL300003931725	0	58	0.0	-82.90	433.72	10.13	-72.77
O=C([O-])C1CC2(C1)CC(NC(=O)C1=NOC(C[NH+]3CCCC3)=C1)CCO2	REAL300003931739	1	51	0.0	-78.54	398.10	6.92	-71.62
C[NH+](C)CCC1=CC=C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=C1	REAL300003931740	0	54	0.0	-84.79	414.65	9.12	-75.67
CNC1=[NH+]C(C)=CC=C1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931752	1	47	0.0	-65.49	364.01	5.92	-59.57
O=C([O-])C1CC2(C1)CC(NC(=O)C1C[N@H+](CC3=CC=CC=C3)CCO1)CCO2	REAL300003931754	1	56	0.0	-87.50	427.69	8.80	-78.70
O=C([O-])C1CC2(C1)CC(NC(=O)C1C[N@@H+](CC3=CC=CC=C3)CCO1)CCO2	REAL300003931754	1	56	0.0	-84.44	428.83	8.86	-75.58
C[N@H+](CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1CCC1	REAL300003931785	0	48	0.0	-72.52	360.11	6.76	-65.76
C[N@@H+](CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1CCC1	REAL300003931785	1	48	0.0	-72.55	360.25	6.78	-65.77
CC(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)[NH+]1CCSCC1	REAL300003931808	1	49	0.0	-75.52	369.37	6.62	-68.90
C[N@H+](CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)CC(C)(C)C	REAL300003931814	0	53	0.0	-74.65	381.84	7.19	-67.46
C[N@@H+](CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)CC(C)(C)C	REAL300003931814	1	53	0.0	-74.09	384.15	7.35	-66.74
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931816	0	54	0.0	-75.43	413.85	9.27	-66.16
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931816	1	54	0.0	-75.30	413.85	9.26	-66.04
COCCOCC[N@H+](C)CCC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931817	0	58	0.0	-77.01	442.16	5.39	-71.62
COCCOCC[N@@H+](C)CCC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931817	1	58	0.0	-77.45	442.17	5.39	-72.06
C[N@@H+]1CCCC(O)(CC(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003931822	0	52	0.0	-66.67	375.31	4.97	-61.70
C[N@H+]1CCCC(O)(CC(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003931822	1	52	0.0	-71.67	383.92	5.14	-66.53
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)CCO2	REAL300003931843	1	57	0.0	-74.81	428.75	8.22	-66.59
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)CCO2	REAL300003931843	1	57	0.0	-76.69	417.84	8.02	-68.67
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)CCO2	REAL300003931844	1	57	0.0	-70.76	419.23	8.04	-62.72
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)CCO2	REAL300003931844	1	57	0.0	-75.33	428.27	8.19	-67.14
CCCCCC[N@H+](C)CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931846	0	56	0.0	-75.86	417.74	8.53	-67.33
CCCCCC[N@@H+](C)CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931846	1	56	0.0	-75.80	417.74	8.53	-67.27
O=C([O-])C1CC2(C1)CC(NC(=O)C13CCC[NH+]1CCC3)CCO2	REAL300003931856	0	49	0.0	-71.04	359.61	6.80	-64.24
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC3=C[NH+]=CN3C=C1)CCO2	REAL300003931864	1	43	0.0	-78.15	345.15	8.35	-69.80
C[N@H+](CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1CCSC1	REAL300003931878	0	49	0.0	-80.40	373.50	7.01	-73.39
C[N@@H+](CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1CCSC1	REAL300003931878	1	49	0.0	-78.92	373.28	7.03	-71.89
CC(C)[NH+]1CCN(CCC(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003931894	0	59	0.0	-75.15	429.36	5.95	-69.20
CC(C)N1CC[NH+](CCC(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003931894	1	59	0.0	-76.95	425.85	5.74	-71.21
CC(C)[NH+]1CCN(CCCC(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003931895	0	62	0.0	-73.65	450.84	6.75	-66.90
CC(C)N1CC[NH+](CCCC(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003931895	1	62	0.0	-74.29	447.87	6.59	-67.70
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC3CCC[N@@H+]31)CCO2	REAL300003931896	0	52	0.0	-67.82	370.84	7.36	-60.46
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCCC3CCC[N@H+]31)CCO2	REAL300003931896	1	52	0.0	-64.88	379.33	7.67	-57.21
C[NH+](C)CCN1C=C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=N1	REAL300003931898	0	51	0.0	-83.04	398.32	6.28	-76.76
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@H+](CC3=CC=CN=C3)C1)CCO2	REAL300003931909	0	57	0.0	-77.73	423.81	8.42	-69.31
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@@H+](CC3=CC=CN=C3)C1)CCO2	REAL300003931909	1	57	0.0	-76.47	430.99	8.16	-68.31
CC(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003931914	1	55	0.0	-71.10	413.04	9.20	-61.90
CC(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003931914	1	55	0.0	-75.90	411.97	9.15	-66.75
CCCC(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300003931935	0	50	0.0	-73.11	365.91	6.56	-66.55
O=C([O-])C1CC2(C1)CC(NC(=O)CC1CC[N@H+](CC3=CC=CC=C3)C1)CCO2	REAL300003931937	0	58	0.0	-79.70	436.86	9.95	-69.75
O=C([O-])C1CC2(C1)CC(NC(=O)CC1CC[N@@H+](CC3=CC=CC=C3)C1)CCO2	REAL300003931937	1	58	0.0	-77.50	440.39	10.07	-67.43
C[NH+](C)CCN1C=CC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=N1	REAL300003931952	0	51	0.0	-86.58	398.33	6.29	-80.29
C[NH+](C)CCN1N=CC=C1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931953	0	51	0.0	-67.42	394.36	6.30	-61.12
C[C@@H]1[C@H](C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC[N@@H+]1C	REAL300003931958	0	48	0.0	-74.96	352.25	6.03	-68.93
C[C@@H]1[C@H](C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC[N@H+]1C	REAL300003931958	1	48	0.0	-74.21	356.84	6.33	-67.88
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931960	1	52	0.0	-67.18	400.66	8.04	-59.14
CC[C@@H]1[C@@H](C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC[N@@H+]1C	REAL300003931963	0	51	0.0	-75.96	370.32	6.49	-69.47
CC[C@@H]1[C@@H](C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC[N@H+]1C	REAL300003931963	1	51	0.0	-76.48	375.91	6.82	-69.66
C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931966	1	47	0.0	-71.34	360.66	6.56	-64.78
C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931966	1	47	0.0	-72.19	366.50	7.05	-65.14
CC1C[N@H+](C)CC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)O1	REAL300003931973	1	49	0.0	-83.16	366.53	6.00	-77.16
CC1C[N@@H+](C)CC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)O1	REAL300003931973	1	49	0.0	-84.69	366.36	5.58	-79.11
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=N1)CCO2	REAL300003931979	1	54	0.0	-67.61	409.66	7.35	-60.26
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=N1)CCO2	REAL300003931979	1	54	0.0	-71.34	407.05	7.07	-64.27
CC1=[NH+]C=CN1CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931983	1	43	0.0	-71.38	343.44	6.40	-64.98
CC(C[NH+]1CCOCC1)C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003931985	0	52	0.0	-76.94	385.32	5.51	-71.43
CC1CC[NH+](CC(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003932000	0	51	0.0	-75.04	376.58	7.26	-67.78
CC[N@@H+]1CCOC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003932012	1	49	0.0	-78.97	369.85	5.93	-73.04
CC[N@H+]1CCOC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003932012	1	49	0.0	-79.20	362.03	5.71	-73.49
CN1C=CN=C1C[NH+]1CCC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003932050	1	58	0.0	-82.97	436.27	8.45	-74.52
O=C([O-])C1CC2(C1)CC(NC(=O)C1CC[N@@H+](C3CCCCC3)C1)CCO2	REAL300003932051	0	58	0.0	-73.51	419.45	8.70	-64.81
O=C([O-])C1CC2(C1)CC(NC(=O)C1CC[N@H+](C3CCCCC3)C1)CCO2	REAL300003932051	1	58	0.0	-73.53	420.36	8.67	-64.86
C[N@@H+]1CCCC1CCC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932058	0	51	0.0	-78.35	377.54	7.12	-71.23
C[N@H+]1CCCC1CCC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932058	1	51	0.0	-74.47	375.56	6.80	-67.67
O=C([O-])C1CC2(C1)CC(NC(=O)C13CCC[NH+](CCC1)C3)CCO2	REAL300003932071	0	52	0.0	-75.34	371.39	6.98	-68.36
C[N@@H+]1CC(O)CC1(C)C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932073	0	49	0.0	-76.58	364.35	2.99	-73.59
C[N@H+]1CC(O)CC1(C)C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932073	1	49	0.0	-77.77	361.53	3.14	-74.63
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC3CCCC[N@@H+]31)CCO2	REAL300003932074	0	52	0.0	-69.00	376.42	7.33	-61.67
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC3CCCC[N@H+]31)CCO2	REAL300003932074	1	52	0.0	-66.01	382.41	7.76	-58.25
CC(C)(C[NH+]1CCOCC1)C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932081	0	55	0.0	-72.39	396.84	6.02	-66.37
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=N1	REAL300003932086	0	58	0.0	-81.49	431.40	7.22	-74.27
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=N1	REAL300003932086	1	58	0.0	-80.40	439.07	7.65	-72.75
CC(C)[NH+]1CCC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003932098	0	54	0.0	-76.99	389.26	7.38	-69.61
O=C([O-])C1CC2(C1)CC(NC(=O)C13CC[NH+](CC1)C3)CCO2	REAL300003932178	0	46	0.0	-74.57	346.32	5.37	-69.20
O=C([O-])C1CC2(C1)CC(NC(=O)C13CC[N@H+](C1)CCC3)CCO2	REAL300003932188	0	49	0.0	-76.79	355.58	5.98	-70.81
O=C([O-])C1CC2(C1)CC(NC(=O)C13CC[N@@H+](C1)CCC3)CCO2	REAL300003932188	1	49	0.0	-72.93	356.60	6.03	-66.90
CC1CCC(C)[NH+]1CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932236	0	51	0.0	-71.07	371.15	6.80	-64.27
C[NH+](C)CC1=CC=CC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300003932237	0	51	0.0	-77.48	392.15	8.26	-69.22
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@H+](CC3=CC=CC=C3)C1)CCO2	REAL300003932238	0	58	0.0	-72.51	436.23	10.00	-62.51
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@@H+](CC3=CC=CC=C3)C1)CCO2	REAL300003932238	1	58	0.0	-75.01	435.07	9.96	-65.05
C[NH+](C)C1(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CCC1	REAL300003932278	0	48	0.0	-76.29	349.14	5.97	-70.32
C#CC[NH+]1CCC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003932309	0	50	0.0	-80.20	383.26	7.59	-72.61
CCC[N@@H+]1CCCCC1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932311	0	54	0.0	-68.03	386.56	7.65	-60.38
CCC[N@H+]1CCCCC1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932311	1	54	0.0	-67.93	386.91	7.64	-60.29
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932312	0	51	0.0	-61.21	385.55	8.56	-52.65
CC[NH+]1CCN(CCC(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003932314	0	56	0.0	-76.67	412.62	5.44	-71.23
CCN1CC[NH+](CCC(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003932314	1	56	0.0	-77.00	412.61	5.43	-71.57
CC(C)C(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)[NH+]1CCCCC1	REAL300003932315	0	57	0.0	-67.53	399.52	8.73	-58.80
C[NH+](C)C(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1=CC=CC=C1	REAL300003932316	1	51	0.0	-73.12	388.65	8.27	-64.85
O=C([O-])C1CC2(C1)CC(NC(=O)C1(O)CC[N@H+](CC3=CC=CC=C3)C1)CCO2	REAL300003932320	0	56	0.0	-74.13	427.79	6.25	-67.88
O=C([O-])C1CC2(C1)CC(NC(=O)C1(O)CC[N@@H+](CC3=CC=CC=C3)C1)CCO2	REAL300003932320	1	56	0.0	-72.80	428.00	6.29	-66.51
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932325	1	52	0.0	-69.74	399.41	7.93	-61.81
C[NH+](C)CC1=C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)OC2=CC=CC=C21	REAL300003932326	0	54	0.0	-68.66	412.89	8.61	-60.05
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@@H+]1C1CCCC1)CCO2	REAL300003932332	0	55	0.0	-74.21	385.05	7.78	-66.43
O=C([O-])C1CC2(C1)CC(NC(=O)C1CCC[N@H+]1C1CCCC1)CCO2	REAL300003932332	1	55	0.0	-69.16	400.10	8.22	-60.94
CC[N@H+](CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1CC1	REAL300003932334	0	48	0.0	-70.98	363.20	6.84	-64.14
CC[N@@H+](CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)C1CC1	REAL300003932334	1	48	0.0	-68.39	363.82	6.87	-61.52
CC(C)C(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)[NH+]1CC(C)OC(C)C1	REAL300003932363	1	61	0.0	-70.74	436.48	7.95	-62.79
CC(C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)[NH+]1CCCCCC1	REAL300003932364	0	54	0.0	-70.28	384.04	7.19	-63.09
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CCOC4(CC(C(=O)[O-])C4)C3)=CC=C1N2	REAL300003932406	1	56	0.0	-80.34	427.65	8.76	-71.58
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3CCOC4(CC(C(=O)[O-])C4)C3)=CC=C1N2	REAL300003932406	1	56	0.0	-80.48	427.86	8.74	-71.74
CC[NH+](CC)CC1=CC=C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)O1	REAL300003932456	0	54	0.0	-76.06	415.05	8.01	-68.05
O=C(CCCC[NH+]1CCCC1)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932457	0	54	0.0	-73.90	406.04	8.14	-65.76
CC1=CC=C(N2CCC(C(=O)NC3CCOC4(CC(C(=O)[O-])C4)C3)CC2)[NH+]=C1	REAL300003932459	1	57	0.0	-71.84	428.75	7.90	-63.94
C[N@H+](CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)CC1=CC=CC=C1	REAL300003932460	1	51	0.0	-75.73	391.37	8.42	-67.31
C[N@@H+](CC(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)CC1=CC=CC=C1	REAL300003932460	1	51	0.0	-78.99	390.72	8.37	-70.62
CC(C)[C@@H](C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1)[NH+](C)C	REAL300003932471	0	50	0.0	-71.56	363.14	7.02	-64.54
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CN(C3=CC=[NH+]C=C3)N=C1)CCO2	REAL300003932489	1	46	0.0	-81.83	373.31	6.22	-75.61
C[NH+](C)CC1=CC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=NO1	REAL300003932518	1	47	0.0	-81.74	372.11	5.75	-75.99
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932522	0	58	0.0	-77.98	434.74	9.80	-68.18
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932522	1	58	0.0	-82.49	437.94	9.87	-72.62
CC(C)[N@@H+]1CCCC1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932536	0	51	0.0	-70.25	361.94	6.84	-63.41
CC(C)[N@H+]1CCCC1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932536	1	51	0.0	-67.83	367.08	7.04	-60.79
C[NH+]1CCC(OCC(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003932562	0	52	0.0	-81.68	393.96	6.87	-74.81
O=C([O-])C1CC2(C1)CC(NC(=O)C1=CC=C(C[NH+]3CCCCC3)O1)CCO2	REAL300003932567	0	55	0.0	-77.82	419.79	8.42	-69.40
CCC[N@@H+]1CCCC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003932759	0	54	0.0	-74.13	397.72	7.79	-66.34
CCC[N@H+]1CCCC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003932759	1	54	0.0	-66.80	392.23	8.05	-58.75
CC(C)C[N@@H+]1CCCC1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932790	0	54	0.0	-71.02	398.77	7.96	-63.06
CC(C)C[N@H+]1CCCC1C(=O)NC1CCOC2(CC(C(=O)[O-])C2)C1	REAL300003932790	1	54	0.0	-74.45	386.83	7.09	-67.36
O=C([O-])C1CC2(C1)CC(NC(=O)C[NH+]1CCC(CO)CC1)CCO2	REAL300003932791	0	52	0.0	-76.16	387.41	3.95	-72.21
O=C([O-])C1CC2(C1)CC(NC(=O)[C@]13CC[C@H]1C[N@H+](CC1=CC=CC=C1)C3)CCO2	REAL300003932897	0	59	0.0	-81.52	443.54	10.27	-71.25
O=C([O-])C1CC2(C1)CC(NC(=O)[C@]13CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C3)CCO2	REAL300003932897	1	59	0.0	-80.24	443.19	10.29	-69.95
CC(C)[N@@H+]1CCCC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003933027	0	54	0.0	-68.55	386.27	7.78	-60.77
CC(C)[N@H+]1CCCC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003933027	1	54	0.0	-72.74	392.87	7.57	-65.17
C[N@@H+]1CC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C(C(F)(F)F)C1	REAL300003933028	0	48	0.0	-86.13	377.98	6.52	-79.61
C[N@H+]1CC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C(C(F)(F)F)C1	REAL300003933028	1	48	0.0	-81.67	372.51	6.32	-75.35
CC1=C(C)[NH+]=C(CCC(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)N1	REAL300003933054	1	49	0.0	-67.79	384.95	6.11	-61.68
C[NH+](C)CCC1=CC=CC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)=C1	REAL300003933551	0	54	0.0	-78.46	414.64	9.10	-69.36
C[NH+](C)CCOC1=CC=C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C=C1	REAL300003933558	0	55	0.0	-82.84	421.95	8.07	-74.77
C[NH+](C)[C@H]1C[C@H](C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003933695	0	48	0.0	-74.57	364.57	6.55	-68.02
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)CC1	REAL300003933699	0	54	0.0	-73.52	386.26	7.48	-66.04
CC1=[NH+]C=C2C=CC(C(=O)NC3CCOC4(CC(C(=O)[O-])C4)C3)=CN21	REAL300003933703	0	46	0.0	-72.28	365.57	8.06	-64.22
CC(C)C[N@@H+]1CCCC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003933767	0	57	0.0	-74.92	414.98	8.49	-66.43
CC(C)C[N@H+]1CCCC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003933767	1	57	0.0	-74.67	415.41	8.49	-66.18
CC[N@@H+]1CCCC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003933768	0	51	0.0	-74.25	375.85	7.06	-67.19
CC[N@H+]1CCCC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003933768	1	51	0.0	-66.40	370.69	7.32	-59.08
C[N@@H+]1CCCC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003933772	0	48	0.0	-66.71	353.36	6.66	-60.05
C[N@H+]1CCCC(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003933772	1	48	0.0	-73.27	359.31	6.44	-66.83
C[NH+](C)CC1=CC=C(C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)O1	REAL300003933774	1	48	0.0	-78.92	379.29	6.64	-72.28
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003933780	0	57	0.0	-74.96	405.00	7.94	-67.02
C[N@H+]1CCCC(C(C)(C)C(=O)NC2CCOC3(CC(C(=O)[O-])C3)C2)C1	REAL300003933780	1	57	0.0	-75.68	397.04	7.52	-68.16
O=C([O-])C1CC2(C1)CC(NC(=O)C13CC(C1)C[N@H+]3C1CC1)CCO2	REAL300003933783	1	50	0.0	-70.67	370.19	8.07	-62.60
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3=CC=CC=C3OC3(CCC3)C2)C1	REAL300003933890	1	52	0.0	-48.47	386.62	10.43	-38.04
C[C@H](NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300003934019	0	45	0.0	-53.93	355.49	8.49	-45.44
C[C@H](NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C1=CC=C([N+](=O)[O-])C=C1	REAL300003934019	1	45	0.0	-53.72	356.30	8.95	-44.77
CSCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003935328	0	47	0.0	-70.40	380.69	9.47	-60.93
CSCC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003936087	1	44	0.0	-54.11	357.66	8.43	-45.68
CSCC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003936087	1	44	0.0	-54.27	357.92	8.34	-45.93
CSCC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300003936895	0	47	0.0	-60.57	383.64	9.46	-51.11
CSCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300003936959	1	46	0.0	-70.23	388.42	7.28	-62.95
CSCC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003937019	0	50	0.0	-75.85	414.19	8.99	-66.86
CSCC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003937032	0	50	0.0	-76.09	414.08	11.42	-64.67
CSCC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003937032	1	50	0.0	-75.52	414.99	11.31	-64.21
CSCC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003937033	0	50	0.0	-51.97	391.71	9.95	-42.02
CSCC(NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003937073	0	47	0.0	-53.49	394.97	9.69	-43.80
CSCC(NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003937073	1	47	0.0	-54.20	396.61	9.81	-44.39
CSCC(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300003937107	0	46	0.0	-48.09	346.43	7.61	-40.48
CSCC(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300003937109	0	46	0.0	-60.95	357.63	7.94	-53.01
CSCC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300003937109	1	46	0.0	-61.58	357.63	7.92	-53.66
CSCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300003937183	0	40	0.0	-75.87	348.37	6.99	-68.88
CSCC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300003937188	0	50	0.0	-79.41	413.41	8.98	-70.43
CSCC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300003937213	0	47	0.0	-52.72	356.99	8.02	-44.70
CSCC(NC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300003937213	1	47	0.0	-52.94	350.64	8.16	-44.78
CSCC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300003937214	0	48	0.0	-73.78	371.60	6.56	-67.22
CSCC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300003937239	1	44	0.0	-71.12	358.17	5.89	-65.23
CC[N@H+](CC1=CC=C(C(=O)NC(CSC)C(=O)[O-])C=C1)C(C)C	REAL300003937240	0	49	0.0	-74.47	385.91	9.45	-65.02
CC[N@@H+](CC1=CC=C(C(=O)NC(CSC)C(=O)[O-])C=C1)C(C)C	REAL300003937240	1	49	0.0	-74.52	376.72	9.02	-65.50
CSCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003937262	0	44	0.0	-62.76	363.44	8.70	-54.06
CSCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003937262	1	44	0.0	-62.48	363.27	8.62	-53.86
CSCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300003937263	0	45	0.0	-69.49	359.70	7.93	-61.56
CSCC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300003937284	1	49	0.0	-61.48	392.62	7.65	-53.83
CSCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300003937285	0	48	0.0	-64.61	357.44	6.13	-58.48
CSCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003937288	0	43	0.0	-53.83	354.87	8.26	-45.57
CSCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003937288	1	43	0.0	-54.36	354.67	8.28	-46.08
CSCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003937298	0	50	0.0	-66.68	403.30	10.41	-56.27
CSCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003937298	1	50	0.0	-52.48	395.19	10.57	-41.91
CCC[NH+](CCC)CCCC(=O)NC(CSC)C(=O)[O-]	REAL300003937335	0	48	0.0	-65.03	377.30	8.27	-56.76
CC[N@H+](C)C(C(=O)NC(CSC)C(=O)[O-])C1=CC=CC=C1	REAL300003937337	0	43	0.0	-50.97	343.75	8.05	-42.92
CC[N@@H+](C)C(C(=O)NC(CSC)C(=O)[O-])C1=CC=CC=C1	REAL300003937337	1	43	0.0	-49.42	352.41	8.44	-40.98
CC[NH+](CC)C(C(=O)NC(CSC)C(=O)[O-])C1=CC=CC=C1	REAL300003937341	0	46	0.0	-56.68	358.84	8.58	-48.10
CSCC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300003937344	1	40	0.0	-57.61	351.52	8.24	-49.37
CSCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300003937358	0	44	0.0	-78.18	361.98	8.87	-69.31
CSCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300003937365	0	47	0.0	-70.69	379.60	9.63	-61.06
CCN1CCC([NH+]2CCC(C(=O)NC(CSC)C(=O)[O-])CC2)CC1	REAL300003937371	0	55	0.0	-67.38	414.99	7.16	-60.22
CSCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300003937377	1	51	0.0	-81.39	412.20	8.72	-72.67
CSCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003937387	1	48	0.0	-75.44	387.67	8.70	-66.74
CSCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003937387	1	48	0.0	-72.49	394.23	8.82	-63.67
CSCC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003937401	1	47	0.0	-50.55	378.57	9.45	-41.10
CSCC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003937401	1	47	0.0	-51.48	369.10	9.28	-42.20
CSCC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003937403	1	38	0.0	-76.93	335.65	6.18	-70.75
CSCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300003937411	0	47	0.0	-78.37	378.63	9.65	-68.72
CSCC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300003937422	1	40	0.0	-74.98	343.29	6.38	-68.60
CSCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003937423	0	43	0.0	-82.80	359.86	8.68	-74.12
CSCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003937430	1	45	0.0	-66.44	366.85	8.17	-58.27
CSCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003937430	1	45	0.0	-66.66	367.19	8.08	-58.58
CSCC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300003937435	0	54	0.0	-60.16	416.89	10.84	-49.32
CSCC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300003937435	1	54	0.0	-63.13	424.31	11.06	-52.07
CSCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003937443	0	53	0.0	-53.30	412.98	10.59	-42.71
CSCC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003937474	0	43	0.0	-56.81	358.36	8.79	-48.02
CSCC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003937474	1	43	0.0	-57.37	359.02	8.73	-48.64
COCCOCC[N@H+](C)CCC(=O)NC(CSC)C(=O)[O-]	REAL300003937475	0	47	0.0	-61.46	388.02	4.90	-56.56
COCCOCC[N@@H+](C)CCC(=O)NC(CSC)C(=O)[O-]	REAL300003937475	1	47	0.0	-62.00	387.40	4.97	-57.03
CSCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003937484	0	52	0.0	-68.70	413.52	8.48	-60.22
CSCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003937517	0	48	0.0	-67.80	375.23	5.46	-62.34
CSCC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003937517	1	48	0.0	-60.78	370.88	5.31	-55.47
CSCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003937518	0	51	0.0	-67.26	396.06	6.32	-60.94
CSCC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003937518	1	51	0.0	-64.72	392.38	6.11	-58.61
CSCC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300003937520	0	40	0.0	-76.64	344.20	5.79	-70.85
CSCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300003937524	0	52	0.0	-65.45	414.10	8.30	-57.15
CSCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003937526	0	49	0.0	-64.14	392.03	7.68	-56.46
CSCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003937530	0	46	0.0	-65.14	376.19	7.65	-57.49
CSCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003937530	1	46	0.0	-65.58	376.10	7.57	-58.01
CSCC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003937560	0	47	0.0	-69.37	382.23	9.47	-59.90
CSCC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003937560	1	47	0.0	-68.91	382.83	9.46	-59.45
CSCC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003937570	0	40	0.0	-82.02	343.90	5.86	-76.16
CSCC(NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300003937571	0	40	0.0	-57.06	339.53	5.76	-51.30
CSCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003937588	0	47	0.0	-62.27	380.51	9.74	-52.53
CSCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003937588	1	47	0.0	-65.03	387.40	9.55	-55.48
CSCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300003937591	0	48	0.0	-64.85	390.43	7.04	-57.81
CSCC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300003937627	1	47	0.0	-76.26	377.67	7.66	-68.60
CSCC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003937628	0	47	0.0	-58.62	365.37	8.21	-50.41
CSCC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003937628	1	47	0.0	-59.57	364.53	8.17	-51.40
CSCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300003937644	0	52	0.0	-69.89	414.27	8.25	-61.64
CSCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300003937644	1	52	0.0	-68.55	413.31	8.27	-60.28
CSCC(NC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300003937650	0	44	0.0	-52.70	339.21	5.41	-47.29
CSCC(NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003937653	0	53	0.0	-67.94	409.12	8.08	-59.86
CSCC(NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003937653	1	53	0.0	-58.66	402.90	7.49	-51.17
CSCC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003937654	0	47	0.0	-77.70	383.66	7.18	-70.52
CSCC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003937654	1	47	0.0	-70.04	360.71	6.21	-63.83
CSCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300003937660	0	49	0.0	-72.27	396.05	7.26	-65.01
CSCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300003937661	0	49	0.0	-76.16	395.11	7.08	-69.08
CSCC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300003937661	1	49	0.0	-79.63	396.13	7.10	-72.53
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CSC)C(=O)[O-])C=C1	REAL300003937662	0	50	0.0	-77.09	402.37	8.98	-68.11
CSCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300003937742	0	51	0.0	-82.18	411.29	6.95	-75.23
CSCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003937744	0	47	0.0	-60.93	381.27	9.42	-51.51
CSCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003937744	1	47	0.0	-59.80	380.29	9.53	-50.27
CC[NH+]1CCN(CCC(=O)NC(CSC)C(=O)[O-])CC1	REAL300003937794	0	45	0.0	-68.73	357.57	4.72	-64.01
CCN1CC[NH+](CCC(=O)NC(CSC)C(=O)[O-])CC1	REAL300003937794	1	45	0.0	-61.38	358.50	4.95	-56.43
CSCC(NC(=O)C(C(C)C)[NH+]1CCCCC1)C(=O)[O-]	REAL300003937797	0	46	0.0	-49.63	342.20	8.16	-41.47
CSCC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003937802	0	45	0.0	-57.31	373.10	5.80	-51.51
CSCC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003937802	1	45	0.0	-59.23	373.22	5.77	-53.46
CSCC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300003937806	0	43	0.0	-52.18	364.55	8.20	-43.98
CC[NH+](CC)C(C(=O)NC(CSC)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003937808	0	49	0.0	-57.15	400.29	9.56	-47.59
CSCC(NC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300003937811	0	44	0.0	-55.13	342.85	7.85	-47.28
CSCC(NC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300003937811	1	44	0.0	-55.78	346.02	7.61	-48.17
CSCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003937855	1	45	0.0	-79.62	372.85	8.23	-71.39
CSCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003937855	1	45	0.0	-79.53	373.28	8.14	-71.39
CC[NH+](CC)CC1=CC=C(C(=O)NC(CSC)C(=O)[O-])O1	REAL300003937906	0	43	0.0	-71.30	360.24	7.48	-63.82
CSCC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300003937907	1	46	0.0	-68.09	374.16	7.31	-60.78
CSCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300003937910	0	52	0.0	-79.10	406.05	8.16	-70.94
CSCC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003937919	1	35	0.0	-74.58	318.50	5.79	-68.79
CSCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003937950	0	47	0.0	-62.84	376.01	9.16	-53.68
CSCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003937950	1	47	0.0	-70.79	384.61	9.27	-61.52
CSCC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003937966	0	48	0.0	-80.31	402.62	8.68	-71.63
CSCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300003937983	0	44	0.0	-72.32	364.29	7.95	-64.37
CSCC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003938012	0	46	0.0	-66.93	373.89	7.49	-59.44
CSCC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003938012	1	46	0.0	-50.37	373.01	7.57	-42.80
CSCC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003938229	0	48	0.0	-69.58	388.13	9.84	-59.74
CSCC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003938229	1	48	0.0	-71.22	389.65	9.83	-61.39
CSCC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003938332	0	37	0.0	-73.70	324.18	6.04	-67.66
CSCC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003938332	1	37	0.0	-64.28	324.24	6.02	-58.26
CSCC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300003938717	0	43	0.0	-75.06	360.54	8.62	-66.44
CSCC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003938721	0	44	0.0	-79.38	367.84	7.60	-71.78
CSCC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003938790	0	50	0.0	-62.92	398.93	10.29	-52.63
CSCC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003938792	1	48	0.0	-81.23	385.40	7.95	-73.28
CSCC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003938792	1	48	0.0	-80.82	385.46	7.97	-72.85
CSCC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300003938862	0	46	0.0	-55.70	352.04	8.18	-47.52
CSCC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300003938862	1	46	0.0	-55.70	352.04	8.18	-47.52
CSCC(NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300003938867	0	46	0.0	-70.48	349.87	7.42	-63.06
CSCC(NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300003938867	1	46	0.0	-70.48	349.87	7.42	-63.06
COC1=CC=CC(NC(=O)CN2CCCC(C(=O)[O-])C2)=C1OC	REAL300003938979	0	45	0.0	-50.67	351.95	6.72	-43.95
COC1=CC=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1OC	REAL300003938979	1	45	0.0	-49.39	346.45	6.75	-42.64
COC1=CC=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1OC	REAL300003938979	1	45	0.0	-49.39	346.45	6.75	-42.64
CC1(C)COC(CCNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003939055	0	50	0.0	-48.81	369.30	6.63	-42.18
CC1(C)COC(CCNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C1	REAL300003939055	1	50	0.0	-48.86	375.39	6.65	-42.21
COCCN(CC1=CC=C(C)C=C1C)C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003939184	0	56	0.0	-49.09	411.50	11.08	-38.01
COCCN(CC1=CC=C(C)C=C1C)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003939184	1	56	0.0	-45.78	413.06	11.67	-34.11
CCCCN(C(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC=C(C)O1	REAL300003939290	0	55	0.0	-47.64	406.35	12.28	-35.36
CCCCN(C(=O)C[N@H+]1CCCC(C(=O)[O-])C1)C(C)C1=CC=C(C)O1	REAL300003939290	1	55	0.0	-47.14	410.02	11.29	-35.85
CSC1CCC(CNC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003939401	0	50	0.0	-49.21	372.61	8.58	-40.63
CSC1CCC(CNC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)CC1	REAL300003939401	1	50	0.0	-46.57	372.18	8.40	-38.17
O=C([O-])C1CCC[N@H+](CC(=O)N2C[C@H]3COC[C@@]3(C3=CC=CC=C3)C2)C1	REAL300003939524	0	52	0.0	-49.74	388.49	9.18	-40.56
O=C([O-])C1CCC[N@@H+](CC(=O)N2C[C@H]3COC[C@@]3(C3=CC=CC=C3)C2)C1	REAL300003939524	1	52	0.0	-44.99	379.69	8.76	-36.23
O=C([O-])C1CCC[N@H+](CC(=O)N2CCC3(CC(F)(F)C3(F)F)C2)C1	REAL300003939654	0	44	0.0	-49.04	343.47	8.31	-40.73
O=C([O-])C1CCC[N@@H+](CC(=O)N2CCC3(CC(F)(F)C3(F)F)C2)C1	REAL300003939654	1	44	0.0	-52.99	350.94	8.76	-44.23
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CC2CCC(C1)S2	REAL300003939809	0	48	0.0	-48.98	346.22	7.94	-41.04
O=C(C[N@@H+]1CCCC(C(=O)[O-])C1)NCC1CC2CCC(C1)S2	REAL300003939809	1	48	0.0	-51.47	347.98	8.40	-43.07
O=C([O-])C1CCC[N@H+](CC(=O)N2CC3=CC=CC=C3OC3(CCOCC3)C2)C1	REAL300003939925	0	56	0.0	-45.56	394.07	8.91	-36.65
O=C([O-])C1CCC[N@@H+](CC(=O)N2CC3=CC=CC=C3OC3(CCOCC3)C2)C1	REAL300003939925	1	56	0.0	-49.41	401.70	9.39	-40.02
CC1=NC(C2CCN(C(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C2)=NO1	REAL300003940035	0	45	0.0	-51.51	352.85	5.70	-45.81
CC1=NC(C2CCN(C(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C2)=NO1	REAL300003940035	1	45	0.0	-48.43	345.41	5.26	-43.17
COC1=CC=C(F)C=C1CCNC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003940202	0	47	0.0	-50.88	366.72	7.59	-43.29
COC1=CC=C(F)C=C1CCNC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003940202	1	47	0.0	-51.09	372.92	7.61	-43.48
CC1=CC(C)=NC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C12	REAL300003940327	0	48	0.0	-55.57	370.64	8.84	-46.73
CC1=CC(C)=NC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C12	REAL300003940327	1	48	0.0	-56.44	365.47	8.85	-47.59
CC(C)N1N=CC2=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=CN=C21	REAL300003940500	0	48	0.0	-53.78	371.03	7.60	-46.18
CC(C)N1N=CC2=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=CN=C21	REAL300003940500	1	48	0.0	-55.12	371.85	8.03	-47.09
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OCC3=CC=CC=C3)N=C2)C1	REAL300003940692	1	50	0.0	-53.57	393.60	8.01	-45.56
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OCC3=CC=CC=C3)N=C2)C1	REAL300003940692	1	50	0.0	-51.55	392.80	7.57	-43.98
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CN=C2OCC2=CC=CC=C2)C1	REAL300003940808	1	50	0.0	-48.87	391.93	8.17	-40.70
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CN=C2OCC2=CC=CC=C2)C1	REAL300003940808	1	50	0.0	-47.98	391.86	7.70	-40.28
CCOC1=NC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003940880	1	43	0.0	-47.70	331.94	4.64	-43.06
CCOC1=NC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003940880	1	43	0.0	-48.94	332.76	5.10	-43.84
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CN=C2OC2=CC=CC=C2)C1	REAL300003940971	1	47	0.0	-48.02	370.05	7.83	-40.19
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CN=C2OC2=CC=CC=C2)C1	REAL300003940971	1	47	0.0	-49.30	369.22	7.38	-41.92
COCCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300003941088	1	47	0.0	-52.22	366.52	3.79	-48.43
COCCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300003941088	1	47	0.0	-54.10	367.11	4.25	-49.85
CC(C)OC1=NC=CC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003941195	1	46	0.0	-47.37	352.08	5.56	-41.81
CC(C)OC1=NC=CC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003941195	1	46	0.0	-48.38	352.15	6.04	-42.34
CCC1=CC=CC(OC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=N2)=C1	REAL300003941370	1	53	0.0	-52.22	412.29	8.73	-43.49
CCC1=CC=CC(OC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=N2)=C1	REAL300003941370	1	53	0.0	-53.54	413.67	9.17	-44.37
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3=CC=CC=C3)N=C2)C1	REAL300003941519	1	47	0.0	-53.72	370.75	7.73	-45.99
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3=CC=CC=C3)N=C2)C1	REAL300003941519	1	47	0.0	-52.45	369.38	7.29	-45.16
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3CCCC3)N=C2)C1	REAL300003941649	1	50	0.0	-51.95	377.44	7.20	-44.75
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3CCCC3)N=C2)C1	REAL300003941649	1	50	0.0	-50.16	376.85	6.75	-43.41
CC1=C2C=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=NC2=NN1	REAL300003941755	1	42	0.0	-59.02	327.00	5.36	-53.66
CC1=C2C=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=NC2=NN1	REAL300003941755	1	42	0.0	-59.23	327.62	5.88	-53.35
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CN=CC=C2OC2=CC=CC=C2)C1	REAL300003941863	1	47	0.0	-49.55	367.66	8.45	-41.10
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CN=CC=C2OC2=CC=CC=C2)C1	REAL300003941863	1	47	0.0	-48.04	365.46	7.84	-40.20
CC1=NOC2=NC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C12	REAL300003942007	1	41	0.0	-59.07	323.43	3.89	-55.18
CC1=NOC2=NC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C12	REAL300003942007	1	41	0.0	-58.14	324.47	4.30	-53.84
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CN=CC3=CC=CC=C32)C1	REAL300003942092	0	42	0.0	-55.22	322.33	7.89	-47.33
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CN=CC3=CC=CC=C32)C1	REAL300003942092	1	42	0.0	-53.48	328.74	7.88	-45.60
CC(C)COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300003942261	1	49	0.0	-50.16	374.49	6.00	-44.16
CC(C)COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300003942261	1	49	0.0	-51.86	375.08	6.46	-45.40
COC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C(C)=N1	REAL300003942352	1	43	0.0	-50.80	329.74	4.45	-46.35
COC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C(C)=N1	REAL300003942352	1	43	0.0	-52.93	329.61	4.85	-48.08
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](CC3=CC=CC=C3)CC2)C=N1	REAL300003943782	0	46	0.0	-88.27	366.13	8.96	-79.31
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+]2CC2=CC=CC=C2)C=N1	REAL300003944565	0	43	0.0	-79.66	349.20	8.40	-71.26
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+]2CC2=CC=CC=C2)C=N1	REAL300003944565	1	43	0.0	-78.15	342.71	7.84	-70.31
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C(=O)[O-])N=C3)CN21	REAL300003945408	1	38	0.0	-74.61	312.89	6.47	-68.14
O=C([O-])C1=CC=C(NC(=O)C(C[NH+]2CCCC2)C2=CC=CC=C2)C=N1	REAL300003945409	0	46	0.0	-78.62	367.82	8.82	-69.80
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=C(C(=O)[O-])N=C3)CC2)=CS1	REAL300003945473	1	45	0.0	-84.18	372.69	6.98	-77.20
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300003945539	0	49	0.0	-83.36	398.75	8.50	-74.86
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])N=C2)=C1	REAL300003945553	0	49	0.0	-86.18	399.88	10.80	-75.38
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC=C(C(=O)[O-])N=C2)=C1	REAL300003945553	1	49	0.0	-85.55	399.79	10.81	-74.74
CC1(C(=O)NC2=CC=C(C(=O)[O-])N=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003945554	0	49	0.0	-79.98	378.82	9.37	-70.61
O=C([O-])C1=CC=C(NC(=O)C2(C(F)(F)F)CC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300003945595	0	46	0.0	-79.74	381.22	9.24	-70.50
O=C([O-])C1=CC=C(NC(=O)C2(C(F)(F)F)CC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300003945595	1	46	0.0	-78.62	379.89	9.05	-69.57
C[NH+](C)CC1(C(=O)NC2=CC=C(C(=O)[O-])N=C2)CCCCC1	REAL300003945630	0	45	0.0	-83.97	332.64	7.09	-76.88
C[N@H+](CCC(=O)NC1=CC=C(C(=O)[O-])N=C1)C1CCCCC1	REAL300003945633	0	45	0.0	-84.12	343.42	7.31	-76.81
C[N@@H+](CCC(=O)NC1=CC=C(C(=O)[O-])N=C1)C1CCCCC1	REAL300003945633	1	45	0.0	-84.20	343.42	7.31	-76.89
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(NC3=CC=[NH+]C=C3)C=C2)C=N1	REAL300003945709	0	39	0.0	-84.95	333.71	6.34	-78.61
C[NH+](C)CCN1N=CC(C(=O)NC2=CC=C(C(=O)[O-])N=C2)=C1C1=CC=CC=C1	REAL300003945714	0	49	0.0	-86.80	398.06	8.49	-78.31
O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@@H+]2C2CCCC2)C=N1	REAL300003945739	0	46	0.0	-76.51	337.47	7.67	-68.84
O=C([O-])C1=CC=C(NC(=O)C2CCCC[N@H+]2C2CCCC2)C=N1	REAL300003945739	1	46	0.0	-76.45	337.60	7.66	-68.79
O=C([O-])C1=CC=C(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C=N1	REAL300003945740	0	47	0.0	-75.08	350.20	5.86	-69.22
O=C([O-])C1=CC=C(NC(=O)CCCC[NH+]2CCOCC2)C=N1	REAL300003945768	1	43	0.0	-84.82	343.04	5.33	-79.49
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])N=C2)C=C1)C(C)C	REAL300003945769	0	48	0.0	-83.94	370.78	8.82	-75.12
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])N=C2)C=C1)C(C)C	REAL300003945769	1	48	0.0	-83.92	362.36	8.42	-75.50
O=C([O-])C1=CC=C(NC(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)C=N1	REAL300003945792	0	43	0.0	-84.29	348.60	8.13	-76.16
O=C([O-])C1=CC=C(NC(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)C=N1	REAL300003945792	1	43	0.0	-84.30	348.57	8.11	-76.19
O=C([O-])C1=CC=C(NC(=O)C2CC[NH+](C3CCSC3)CC2)C=N1	REAL300003945793	0	44	0.0	-90.18	344.01	7.30	-82.88
C[NH+]1CCN(C(C(=O)NC2=CC=C(C(=O)[O-])N=C2)C2=CC=CC=C2)CC1	REAL300003945817	1	48	0.0	-77.09	377.93	7.02	-70.07
O=C([O-])C1=CC=C(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C=N1	REAL300003945818	0	47	0.0	-84.62	342.16	5.66	-78.96
CC(C(=O)NC1=CC=C(C(=O)[O-])N=C1)[N@H+](C)CC1=CC=CC=C1	REAL300003945821	1	42	0.0	-82.55	339.90	7.71	-74.84
CC(C(=O)NC1=CC=C(C(=O)[O-])N=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003945821	1	42	0.0	-81.69	338.86	7.77	-73.92
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@H+](CCC3=CC=CC=C3)C2)C=N1	REAL300003945831	0	49	0.0	-85.47	388.26	9.78	-75.69
O=C([O-])C1=CC=C(NC(=O)C2CCC[N@@H+](CCC3=CC=CC=C3)C2)C=N1	REAL300003945831	1	49	0.0	-77.98	382.20	9.97	-68.01
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])N=C2)C=N1	REAL300003945862	0	38	0.0	-85.11	318.69	5.75	-79.36
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C(=O)[O-])N=C1	REAL300003945873	0	47	0.0	-82.25	362.87	7.64	-74.61
CC[N@H+](C)C(C(=O)NC1=CC=C(C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300003945875	1	42	0.0	-75.31	337.25	7.88	-67.43
CC[N@@H+](C)C(C(=O)NC1=CC=C(C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300003945875	1	42	0.0	-76.08	337.51	7.88	-68.20
CC[NH+](CC)C(C(=O)NC1=CC=C(C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300003945880	0	45	0.0	-78.81	343.47	7.99	-70.82
C[NH+](C)C(C(=O)NC1=CC=C(C(=O)[O-])N=C1)C1=CC=C(Cl)C=C1	REAL300003945886	1	39	0.0	-81.99	336.47	7.74	-74.25
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C[NH+]3CCCC3)C=C2)C=N1	REAL300003945900	0	43	0.0	-86.73	347.72	8.38	-78.35
O=C([O-])C1=CC=C(NC(=O)C2=CC=CC(C[NH+]3CCCCC3)=C2)C=N1	REAL300003945907	0	46	0.0	-81.18	364.74	9.07	-72.11
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CC[NH+](CC)CCOC1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300003956868	0	53	0.0	-78.95	406.43	9.39	-69.56
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CC[NH+](CC)C(C(=O)NC1CC(CC(=O)[O-])C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003957002	0	52	0.0	-68.39	400.51	9.95	-58.44
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CC(C)C(C(=O)NC1CC(CC(=O)[O-])C1)[NH+]1CC(C)OC(C)C1	REAL300003957027	1	53	0.0	-61.50	384.88	8.19	-53.31
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CC[NH+](CC)CC1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2)O1	REAL300003957099	0	46	0.0	-69.92	359.05	7.70	-62.22
CC1=CC=C(N2CCC(C(=O)NC3CC(CC(=O)[O-])C3)CC2)[NH+]=C1	REAL300003957101	1	49	0.0	-66.06	377.20	7.89	-58.17
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3CC(CC(=O)[O-])C3)C=C2)CC1	REAL300003957104	0	55	0.0	-80.27	409.46	8.64	-71.63
O=C([O-])CC1CC(NC(=O)C2=CN(C3=CC=[NH+]C=C3)N=C2)C1	REAL300003957113	1	38	0.0	-76.10	322.48	6.25	-69.85
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1CC(CC(=O)[O-])C1	REAL300003957144	0	50	0.0	-71.31	387.98	9.87	-61.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1CC(CC(=O)[O-])C1	REAL300003957144	1	50	0.0	-69.61	384.31	9.81	-59.80
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300003957160	0	51	0.0	-75.71	405.67	9.28	-66.43
O=C([O-])CC1CC(NC(=O)C2=CC=C(C[NH+]3CCCCC3)O2)C1	REAL300003957176	0	47	0.0	-70.61	368.26	8.39	-62.22
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2CC(CC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003957202	0	49	0.0	-70.73	377.03	8.01	-62.72
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2CC(CC(=O)[O-])C2)[C@@H](C(F)(F)F)C1	REAL300003957202	1	49	0.0	-72.50	376.37	8.04	-64.46
O=C([O-])CC1CC(NC(=O)[C@]23CC[C@H]2C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300003957395	0	51	0.0	-78.00	392.19	10.27	-67.73
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O=C([O-])CC1CC(NC(=O)C2CCCC[N@@H+]2CC2=CC=CC(F)=C2)C1	REAL300003957423	1	50	0.0	-67.70	378.79	9.86	-57.84
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C[N@@H+]1CC(C(=O)NC2CC(CC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003957486	0	40	0.0	-79.32	317.67	6.47	-72.85
C[N@H+]1CC(C(=O)NC2CC(CC(=O)[O-])C2)C(C(F)(F)F)C1	REAL300003957486	1	40	0.0	-78.00	319.59	6.55	-71.45
C[NH+](C)CCC1=CC=CC(C(=O)NC2CC(CC(=O)[O-])C2)=C1	REAL300003957843	0	46	0.0	-73.76	363.82	9.14	-64.62
C[NH+](C)CCOC1=CC=C(C(=O)NC2CC(CC(=O)[O-])C2)C=C1	REAL300003957847	0	47	0.0	-80.23	371.24	8.04	-72.19
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CC1C[N@H+](CC2=CC=C(C(=O)NC3CC(CC(=O)[O-])C3)C=C2)CCO1	REAL300003957914	1	51	0.0	-76.98	395.40	8.51	-68.47
CC1C[N@@H+](CC2=CC=C(C(=O)NC3CC(CC(=O)[O-])C3)C=C2)CCO1	REAL300003957914	1	51	0.0	-83.06	395.57	8.46	-74.60
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O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=C(Cl)C=C3)C[C@@H]21	REAL300003960873	1	48	0.0	-50.00	369.79	11.70	-38.30
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CC1=[NH+]C=C2CCC(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)CN12	REAL300003960955	1	43	0.0	-50.91	314.45	9.45	-41.46
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C(C[NH+]3CCCC3)C3=CC=CC=C3)C[C@@H]21	REAL300003960956	0	51	0.0	-38.37	367.74	12.08	-26.29
CC1=NC(C[NH+]2CCC(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)CC2)=CS1	REAL300003961021	1	50	0.0	-62.65	380.88	9.91	-52.74
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C=C1	REAL300003961094	0	54	0.0	-77.15	404.83	11.81	-65.34
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)=C1	REAL300003961108	0	54	0.0	-72.99	406.52	13.82	-59.17
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)=C1	REAL300003961108	1	54	0.0	-92.29	406.48	13.82	-78.47
CC1(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300003961109	0	54	0.0	-69.48	378.10	11.82	-57.66
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3(C(F)(F)F)CC[N@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300003961151	0	51	0.0	-67.97	371.25	11.14	-56.83
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C[NH+](C)CC1(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CCCCC1	REAL300003961188	0	50	0.0	-69.74	320.16	9.97	-59.77
C[N@H+](CCC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)C1CCCCC1	REAL300003961191	0	50	0.0	-58.56	349.19	10.69	-47.87
C[N@@H+](CCC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)C1CCCCC1	REAL300003961191	1	50	0.0	-57.07	349.20	10.69	-46.38
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=C(F)C=C3)C[C@@H]21	REAL300003961215	1	51	0.0	-50.20	354.46	11.03	-39.17
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=C(F)C=C3)C[C@@H]21	REAL300003961215	1	51	0.0	-41.41	359.56	11.45	-29.96
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=C(F)C=C3)C[C@@H]21	REAL300003961216	1	48	0.0	-50.69	359.46	11.25	-39.44
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC[N@H+]3CC3=CC=C(F)C=C3)C[C@@H]21	REAL300003961216	1	48	0.0	-38.97	352.05	10.84	-28.13
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CC=C(NC4=CC=[NH+]C=C4)C=C3)C[C@@H]21	REAL300003961271	0	44	0.0	-81.26	342.75	9.08	-72.18
C[NH+](C)CCN1N=CC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)=C1C1=CC=CC=C1	REAL300003961276	0	54	0.0	-74.01	400.83	10.94	-63.07
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCCC[N@@H+]3C3CCCC3)C[C@@H]21	REAL300003961302	0	51	0.0	-42.30	333.75	10.27	-32.03
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCCC[N@H+]3C3CCCC3)C[C@@H]21	REAL300003961302	1	51	0.0	-46.55	343.31	10.32	-36.23
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C[C@@H]21	REAL300003961303	0	52	0.0	-70.49	358.85	9.36	-61.13
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)C[C@@H]21	REAL300003961331	1	48	0.0	-69.23	348.54	8.64	-60.59
CC[N@H+](CC1=CC=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C=C1)C(C)C	REAL300003961332	0	53	0.0	-77.16	370.78	11.32	-65.84
CC[N@@H+](CC1=CC=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C=C1)C(C)C	REAL300003961332	1	53	0.0	-77.26	371.35	11.13	-66.13
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CC[N@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300003961355	0	48	0.0	-50.70	352.42	11.28	-39.42
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CC[N@@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300003961355	1	48	0.0	-57.96	350.70	11.22	-46.74
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CC[NH+](C4CCSC4)CC3)C[C@@H]21	REAL300003961356	0	49	0.0	-66.12	346.49	10.70	-55.42
C[NH+]1CCN(C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C2=CC=CC=C2)CC1	REAL300003961378	1	53	0.0	-63.84	381.86	9.65	-54.19
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C[C@@H]21	REAL300003961379	0	52	0.0	-57.76	346.99	8.84	-48.92
CC(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)[N@H+](C)CC1=CC=CC=C1	REAL300003961382	0	47	0.0	-47.66	346.78	10.76	-36.90
CC(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)[N@@H+](C)CC1=CC=CC=C1	REAL300003961382	1	47	0.0	-55.25	346.36	10.71	-44.54
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC[N@H+](CCC4=CC=CC=C4)C3)C[C@@H]21	REAL300003961392	0	54	0.0	-54.05	382.73	13.05	-41.00
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC[N@@H+](CCC4=CC=CC=C4)C3)C[C@@H]21	REAL300003961392	1	54	0.0	-49.44	382.87	12.93	-36.51
C[NH+](C)CC1=CC=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C=N1	REAL300003961423	0	43	0.0	-69.16	321.69	7.82	-61.34
CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003961434	0	52	0.0	-63.16	368.80	11.04	-52.12
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C(C3=CC=CC=C3)[NH+]3CCC(O)CC3)C[C@@H]21	REAL300003961435	1	52	0.0	-41.76	373.53	8.76	-33.00
CC[N@H+](C)C(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)C1=CC=CC=C1	REAL300003961436	0	47	0.0	-54.09	335.83	10.67	-43.42
CC[N@@H+](C)C(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)C1=CC=CC=C1	REAL300003961436	1	47	0.0	-50.81	338.78	10.77	-40.04
CC[NH+](CC)C(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)C1=CC=CC=C1	REAL300003961441	0	50	0.0	-54.80	347.48	11.49	-43.31
C[NH+](C)C(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)C1=CC=C(Cl)C=C1	REAL300003961447	1	44	0.0	-42.77	336.29	10.47	-32.30
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CC=C(C[NH+]4CCCC4)C=C3)C[C@@H]21	REAL300003961461	0	48	0.0	-80.64	354.82	11.04	-69.60
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CC=CC(C[NH+]4CCCCC4)=C3)C[C@@H]21	REAL300003961468	0	51	0.0	-85.86	367.81	12.32	-73.54
CCN1CCC([NH+]2CCC(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)CC2)CC1	REAL300003961474	0	59	0.0	-60.21	400.56	9.53	-50.68
CC1C[NH+](CC2=CC=C(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)C=C2)CC(C)O1	REAL300003961481	1	55	0.0	-82.29	405.86	10.89	-71.40
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CC3C[N@H+](CC4=CC=CC=C4)CCO3)C[C@@H]21	REAL300003961490	1	52	0.0	-64.54	375.93	10.81	-53.73
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CC3C[N@@H+](CC4=CC=CC=C4)CCO3)C[C@@H]21	REAL300003961490	1	52	0.0	-71.16	378.31	11.54	-59.62
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC=C3)C[C@@H]21	REAL300003961505	0	51	0.0	-40.77	353.95	11.66	-29.11
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=CC=C3)C[C@@H]21	REAL300003961505	1	51	0.0	-51.36	366.96	11.79	-39.57
CC1=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C=NN1C1=CC=[NH+]C=C1	REAL300003961507	1	42	0.0	-67.44	324.10	8.19	-59.25
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)C=C3)C[C@@H]21	REAL300003961515	0	51	0.0	-80.68	372.13	11.80	-68.88
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=NOC(C[NH+]4CCCC4)=C3)C[C@@H]21	REAL300003961526	1	44	0.0	-68.52	332.93	9.08	-59.44
C[NH+](C)CCC1=CC=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C=C1	REAL300003961527	0	47	0.0	-85.77	353.07	10.79	-74.98
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CCO3)C[C@@H]21	REAL300003961535	1	49	0.0	-69.09	353.89	10.49	-58.60
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CCO3)C[C@@H]21	REAL300003961535	1	49	0.0	-32.21	340.55	10.21	-22.00
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003961541	0	58	0.0	-49.60	410.66	12.41	-37.19
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003961541	1	58	0.0	-47.30	416.06	12.61	-34.69
CC(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003961550	0	57	0.0	-49.90	397.39	13.13	-36.77
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003961584	0	47	0.0	-51.97	349.92	11.43	-40.54
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003961584	1	47	0.0	-51.59	349.95	11.41	-40.18
COCCOCC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003961585	0	51	0.0	-59.14	379.47	7.51	-51.63
COCCOCC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003961585	1	51	0.0	-57.33	378.97	7.72	-49.61
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CCC[NH+]3CCN(C4=CC=CC=C4)CC3)C[C@@H]21	REAL300003961595	0	56	0.0	-65.66	405.09	11.22	-54.44
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=NC=C3)C[C@@H]21	REAL300003961596	1	50	0.0	-50.25	343.07	9.22	-41.03
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=NC=C3)C[C@@H]21	REAL300003961596	1	50	0.0	-54.64	361.48	10.05	-44.59
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CN=C3)C[C@@H]21	REAL300003961597	1	50	0.0	-42.68	364.96	10.06	-32.62
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=CN=C3)C[C@@H]21	REAL300003961597	1	50	0.0	-57.93	354.53	10.14	-47.79
CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300003961631	0	52	0.0	-64.82	362.12	8.02	-56.80
CC(C)N1CC[NH+](CCC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300003961631	1	52	0.0	-57.25	362.97	8.09	-49.16
CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300003961632	0	55	0.0	-68.65	387.64	9.06	-59.59
CC(C)N1CC[NH+](CCCC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300003961632	1	55	0.0	-61.56	384.15	8.85	-52.71
C[NH+](C)CCN1C=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C=N1	REAL300003961634	0	44	0.0	-74.37	333.98	8.18	-66.19
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)CC2)=C1	REAL300003961639	0	56	0.0	-59.81	404.98	11.09	-48.72
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CC[NH+]3CCN(C4=CC=CC=C4)CC3)C[C@@H]21	REAL300003961641	0	53	0.0	-60.50	383.58	10.43	-50.07
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC[N@H+](CC4=CC=CN=C4)C3)C[C@@H]21	REAL300003961645	0	50	0.0	-66.13	368.91	10.08	-56.05
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC[N@@H+](CC4=CC=CN=C4)C3)C[C@@H]21	REAL300003961645	1	50	0.0	-73.44	360.83	9.94	-63.50
CC(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003961650	0	48	0.0	-51.94	339.89	11.22	-40.72
CC(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300003961650	1	48	0.0	-47.17	349.67	11.14	-36.03
CCC(CC)C(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)[NH+]1CCOCC1	REAL300003961665	1	54	0.0	-53.55	349.16	9.04	-44.51
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CC3CC[N@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300003961678	0	51	0.0	-65.94	374.42	11.98	-53.96
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CC3CC[N@@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300003961678	1	51	0.0	-66.29	377.47	12.06	-54.23
C[NH+](C)CCN1C=CC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)=N1	REAL300003961690	0	44	0.0	-81.38	334.15	8.50	-72.88
C[NH+](C)CCN1N=CC=C1C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003961691	0	44	0.0	-48.07	332.70	8.13	-39.94
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003961696	1	45	0.0	-55.30	336.75	10.26	-45.04
C[N@@H+]1CCCC1C1=CC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)=NN1	REAL300003961699	1	45	0.0	-67.36	331.51	7.85	-59.51
C[N@H+]1CCCC1C1=CC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)=NN1	REAL300003961699	1	45	0.0	-74.54	327.49	7.64	-66.90
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC[N@H+](CC4=CC=CC(F)=C4)C3)C[C@@H]21	REAL300003961710	0	51	0.0	-48.74	373.34	12.11	-36.63
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC[N@@H+](CC4=CC=CC(F)=C4)C3)C[C@@H]21	REAL300003961710	1	51	0.0	-72.83	372.37	11.86	-60.97
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC[N@@H+]3CC3=CC=CC=N3)C[C@@H]21	REAL300003961711	1	47	0.0	-44.75	351.53	9.68	-35.07
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC[N@H+]3CC3=CC=CC=N3)C[C@@H]21	REAL300003961711	1	47	0.0	-42.42	349.38	9.41	-33.01
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CC[NH+]3CCN(C4=CC=CC=N4)CC3)C[C@@H]21	REAL300003961715	0	52	0.0	-59.14	381.34	9.84	-49.30
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CC[N@@H+](C4CCCCC4)C3)C[C@@H]21	REAL300003961757	0	51	0.0	-63.86	351.72	10.77	-53.09
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CC[N@H+](C4CCCCC4)C3)C[C@@H]21	REAL300003961757	1	51	0.0	-58.29	350.16	10.65	-47.64
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3C[N@H+](CC4=CC=CC=C4)CC34CCOC4)C[C@@H]21	REAL300003961777	0	56	0.0	-62.42	396.95	11.31	-51.11
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3C[N@@H+](CC4=CC=CC=C4)CC34CCOC4)C[C@@H]21	REAL300003961777	1	56	0.0	-55.31	403.24	11.28	-44.03
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003961784	0	48	0.0	-65.18	326.20	7.28	-57.90
CC(C)[N@@H+]1CCC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C(C2=CN(C)N=C2)C1	REAL300003961787	0	57	0.0	-57.87	390.34	10.32	-47.55
CC(C)[N@H+]1CCC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C(C2=CN(C)N=C2)C1	REAL300003961787	1	57	0.0	-53.37	399.69	10.48	-42.89
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C=N1	REAL300003961788	0	51	0.0	-67.74	361.85	9.15	-58.59
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C=N1	REAL300003961788	1	51	0.0	-53.38	355.66	9.25	-44.13
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)=C2)CC1	REAL300003961794	0	53	0.0	-74.50	381.98	9.40	-65.10
C[NH+]1CCN(CC2=CC=C(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)C=C2)CC1	REAL300003961795	0	53	0.0	-75.77	383.84	9.21	-66.56
CN1CC[NH+](CC2=CC=C(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)C=C2)CC1	REAL300003961795	1	53	0.0	-74.30	383.30	9.09	-65.21
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C=C1	REAL300003961796	0	54	0.0	-78.13	392.98	10.80	-67.33
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CC=C(C[NH+]4CCC(CO)CC4)C=C3)C[C@@H]21	REAL300003961891	0	55	0.0	-83.76	403.81	9.10	-74.66
C[NH+](C)CC1=CC=CC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)=C1	REAL300003961895	0	44	0.0	-88.59	329.82	10.24	-78.35
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC[N@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300003961896	0	51	0.0	-51.15	367.88	12.26	-38.89
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC[N@@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300003961896	1	51	0.0	-48.25	371.42	11.83	-36.42
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003961952	0	44	0.0	-58.50	325.18	10.28	-48.22
CC[NH+]1CCN(CCC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300003961954	0	49	0.0	-66.65	349.34	7.74	-58.91
CCN1CC[NH+](CCC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CC1	REAL300003961954	1	49	0.0	-57.45	349.40	7.74	-49.71
CC(C)C(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)[NH+]1CCCCC1	REAL300003961957	0	50	0.0	-41.66	325.59	10.07	-31.59
C[NH+](C)C(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)C1=CC=CC=C1	REAL300003961958	1	44	0.0	-52.84	320.69	10.13	-42.71
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3(O)CC[N@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300003961962	0	49	0.0	-45.10	347.84	8.28	-36.82
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3(O)CC[N@@H+](CC4=CC=CC=C4)C3)C[C@@H]21	REAL300003961962	1	49	0.0	-62.52	356.16	8.77	-53.75
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003961967	1	45	0.0	-54.95	336.10	10.21	-44.74
C[NH+](C)CC1=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)OC2=CC=CC=C21	REAL300003961968	0	47	0.0	-53.42	355.30	10.57	-42.85
CC[NH+](CC)C(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)C1=CC=CC(C(F)(F)F)=C1	REAL300003961970	0	53	0.0	-37.87	380.75	11.64	-26.23
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC[N@@H+]3C3CCCC3)C[C@@H]21	REAL300003961973	0	48	0.0	-55.14	327.06	10.43	-44.71
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCC[N@H+]3C3CCCC3)C[C@@H]21	REAL300003961973	1	48	0.0	-52.22	334.90	10.12	-42.10
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C(C3=CC=CC=C3)[NH+]3CCSCC3)C[C@@H]21	REAL300003961994	1	49	0.0	-44.29	360.65	11.66	-32.63
CC(C)C(C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)[NH+]1CC(C)OC(C)C1	REAL300003961995	1	54	0.0	-49.79	353.11	9.10	-40.69
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)=CC=C1N2	REAL300003962021	1	49	0.0	-80.91	357.15	10.33	-70.58
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)=CC=C1N2	REAL300003962021	1	49	0.0	-80.26	362.91	10.60	-69.66
CC[NH+](CC)CC1=CC=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)O1	REAL300003962073	0	47	0.0	-70.72	343.43	9.57	-61.15
CC1=CC=C(N2CCC(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)CC2)[NH+]=C1	REAL300003962074	1	50	0.0	-69.42	366.06	9.55	-59.87
C[N@H+](CC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)CC1=CC=CC=C1	REAL300003962075	1	44	0.0	-51.34	327.44	10.59	-40.75
C[N@@H+](CC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)CC1=CC=CC=C1	REAL300003962075	1	44	0.0	-52.41	327.49	10.60	-41.81
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)C=C2)CC1	REAL300003962078	0	56	0.0	-76.55	393.77	10.18	-66.37
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CN(C4=CC=[NH+]C=C4)N=C3)C[C@@H]21	REAL300003962088	1	39	0.0	-80.87	307.04	7.78	-73.09
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003962121	0	51	0.0	-61.01	364.26	11.44	-49.57
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1	REAL300003962121	1	51	0.0	-56.31	367.35	12.06	-44.25
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C=C1	REAL300003962139	0	52	0.0	-77.16	390.62	11.17	-65.99
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3=CC=C(C[NH+]4CCCCC4)O3)C[C@@H]21	REAL300003962157	0	48	0.0	-69.79	355.72	10.42	-59.37
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)[C@@H](C(F)(F)F)C1	REAL300003962187	0	50	0.0	-64.22	356.13	9.86	-54.36
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)[C@@H](C(F)(F)F)C1	REAL300003962187	1	50	0.0	-64.76	357.30	9.81	-54.95
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)[C@]34CC[C@H]3C[N@H+](CC3=CC=CC=C3)C4)C[C@@H]21	REAL300003962420	0	52	0.0	-71.48	368.10	11.90	-59.58
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)[C@]34CC[C@H]3C[N@@H+](CC3=CC=CC=C3)C4)C[C@@H]21	REAL300003962420	1	52	0.0	-74.74	379.33	11.97	-62.77
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCCC[N@@H+]3CC3=CC=CC(F)=C3)C[C@@H]21	REAL300003962451	1	51	0.0	-41.25	376.66	11.98	-29.27
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)C3CCCC[N@H+]3CC3=CC=CC(F)=C3)C[C@@H]21	REAL300003962451	1	51	0.0	-40.43	367.93	12.32	-28.11
C[N@@H+]1CC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C(C(F)(F)F)C1	REAL300003962532	0	41	0.0	-68.75	311.03	8.52	-60.23
C[N@H+]1CC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C(C(F)(F)F)C1	REAL300003962532	1	41	0.0	-75.06	307.85	8.38	-66.68
C[NH+](C)CCC1=CC=CC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)=C1	REAL300003962955	0	47	0.0	-91.05	352.31	11.07	-79.98
C[NH+](C)CCOC1=CC=C(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C=C1	REAL300003962961	0	48	0.0	-80.48	360.40	9.71	-70.77
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CC3CC[NH+](CC4=CC=CC=C4)CC3)C[C@@H]21	REAL300003963036	0	54	0.0	-64.86	390.19	12.95	-51.91
CC1C[N@H+](CC2=CC=C(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)C=C2)CCO1	REAL300003963038	1	52	0.0	-75.28	372.60	9.95	-65.33
CC1C[N@@H+](CC2=CC=C(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)C=C2)CCO1	REAL300003963038	1	52	0.0	-84.95	380.56	10.63	-74.32
CC(C)C[N@@H+]1CCCC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C1	REAL300003963123	0	50	0.0	-69.06	348.12	10.58	-58.48
CC(C)C[N@H+]1CCCC(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C1	REAL300003963123	1	50	0.0	-69.06	348.12	10.58	-58.48
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C1	REAL300003963129	0	50	0.0	-80.71	319.00	8.88	-71.83
C[N@H+]1CCCC(C(C)(C)C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)C1	REAL300003963129	1	50	0.0	-80.71	319.00	8.88	-71.83
CC(C)C(CC1=CC=CC=C1)NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003963200	0	52	0.0	-48.31	386.80	10.29	-38.02
CC1=CC=C(N(CC2CC2)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=C1	REAL300003963302	0	50	0.0	-48.97	381.16	12.15	-36.82
O=C(C[N@H+]1CCCC(C(=O)[O-])C1)NCC1CCC2(CCC2)CO1	REAL300003963483	0	51	0.0	-47.47	371.57	7.22	-40.25
CC1=CC=CC(NC2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2C)=C1	REAL300003963600	0	55	0.0	-49.36	417.15	11.38	-37.98
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)CN1CCCC(C(=O)[O-])C1	REAL300003963822	0	50	0.0	-52.46	378.95	9.04	-43.42
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003963822	1	50	0.0	-55.99	384.28	9.45	-46.54
CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003963822	1	50	0.0	-55.99	384.28	9.45	-46.54
O=C([O-])C1CCC[N@H+](CC(=O)NC2=NC3=CC=CC=C3C=C2)C1	REAL300003964023	0	42	0.0	-56.97	327.03	9.16	-47.81
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=NC3=CC=CC=C3C=C2)C1	REAL300003964023	1	42	0.0	-54.26	332.52	9.13	-45.13
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CN(CC3CCCO3)N=C2)C1	REAL300003964264	1	48	0.0	-57.77	363.87	6.39	-51.38
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CN(CC3CCCO3)N=C2)C1	REAL300003964264	1	48	0.0	-53.26	363.04	5.94	-47.32
CC1=NN(C(C)C)C(C)=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003965728	1	49	0.0	-50.24	371.25	7.20	-43.04
CC1=NN(C(C)C)C(C)=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003965728	1	49	0.0	-53.18	375.54	7.73	-45.45
CC1=NOC(C2=CC=CC(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300003966044	0	45	0.0	-54.20	362.41	6.66	-47.54
CC1=NOC(C2=CC=CC(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)=C2)=N1	REAL300003966044	1	45	0.0	-58.66	357.20	6.66	-52.00
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300003966172	1	47	0.0	-55.58	368.13	8.92	-46.66
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300003966172	1	47	0.0	-51.75	367.31	8.47	-43.28
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CN=C3CCOCC3=C2)C1	REAL300003966278	1	44	0.0	-51.99	333.34	5.60	-46.39
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CN=C3CCOCC3=C2)C1	REAL300003966278	1	44	0.0	-53.43	338.81	5.57	-47.86
COC1=CC=C(OC2=CC=C(NC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=N2)C=C1	REAL300003966395	1	51	0.0	-52.97	398.89	6.57	-46.40
COC1=CC=C(OC2=CC=C(NC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=N2)C=C1	REAL300003966395	1	51	0.0	-53.79	401.00	6.94	-46.85
CCCCOC1=CC=C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300003966515	1	49	0.0	-50.30	375.89	6.10	-44.20
CCCCOC1=CC=C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300003966515	1	49	0.0	-51.86	376.48	6.56	-45.30
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3=CC=CN=C3)N=C2)C1	REAL300003966641	1	46	0.0	-54.44	365.60	5.98	-48.46
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3=CC=CN=C3)N=C2)C1	REAL300003966641	1	46	0.0	-53.55	364.86	5.58	-47.97
COC1=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=CN=C1OC	REAL300003966762	1	44	0.0	-56.19	346.73	3.91	-52.28
COC1=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=CN=C1OC	REAL300003966762	1	44	0.0	-54.50	341.27	3.93	-50.57
CC1=CN=C(OC(C)C)C(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003966869	1	49	0.0	-48.69	379.83	6.62	-42.07
CC1=CN=C(OC(C)C)C(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003966869	1	49	0.0	-47.17	373.58	6.67	-40.50
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CN=C2OCC(F)F)C1	REAL300003966974	1	43	0.0	-48.15	344.99	5.43	-42.72
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CN=C2OCC(F)F)C1	REAL300003966974	1	43	0.0	-49.62	344.96	4.96	-44.66
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3=CC=CC=C3F)N=C2)C1	REAL300003967093	1	47	0.0	-55.81	377.99	7.68	-48.13
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3=CC=CC=C3F)N=C2)C1	REAL300003967093	1	47	0.0	-54.22	376.64	7.23	-46.99
CC(C)(C)C1CCCC1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003967183	0	52	0.0	-46.45	359.95	9.38	-37.07
CC(C)(C)C1CCCC1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003967183	1	52	0.0	-45.58	353.97	10.26	-35.32
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=C(OC3=CC(F)=CC(F)=C3)N=C2)C1	REAL300003967284	1	47	0.0	-52.18	383.66	7.92	-44.26
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=C(OC3=CC(F)=CC(F)=C3)N=C2)C1	REAL300003967284	1	47	0.0	-51.52	382.88	7.47	-44.05
CC(C)(C)OC1=CC=NC=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003967388	1	49	0.0	-47.45	358.30	6.34	-41.11
CC(C)(C)OC1=CC=NC=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003967388	1	49	0.0	-49.91	360.48	6.75	-43.16
CCOC1=NC=C(C)C=C1NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1	REAL300003967485	1	46	0.0	-49.02	359.69	5.70	-43.32
CCOC1=NC=C(C)C=C1NC(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300003967485	1	46	0.0	-48.83	354.22	5.74	-43.09
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CN=CC=C2C2=CC=CC=C2)C1	REAL300003967584	0	46	0.0	-50.19	355.86	9.47	-40.72
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CN=CC=C2C2=CC=CC=C2)C1	REAL300003967584	1	46	0.0	-51.03	362.41	9.50	-41.53
CN1C=C(C2=NC=CC=C2NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300003967689	0	46	0.0	-51.28	356.46	6.86	-44.42
CN1C=C(C2=NC=CC=C2NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)C=N1	REAL300003967689	1	46	0.0	-51.60	358.38	7.39	-44.21
CCCOC1=CN=CC(NC(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003967797	1	46	0.0	-53.00	358.04	6.51	-46.49
CCCOC1=CN=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=C1	REAL300003967797	1	46	0.0	-53.61	352.57	6.53	-47.08
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CC1=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C=NN1C1=CC=[NH+]C=C1	REAL300003976461	1	38	0.0	-81.55	316.81	2.85	-78.70
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CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300003976496	0	53	0.0	-57.70	402.77	7.26	-50.44
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CC(C)[NH+]1CCN(CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1	REAL300003976549	0	48	0.0	-74.78	354.81	1.58	-73.20
CC(C)N1CC[NH+](CCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1	REAL300003976549	1	48	0.0	-66.65	356.42	1.76	-64.89
CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1	REAL300003976550	0	51	0.0	-72.99	380.03	2.96	-70.03
CC(C)N1CC[NH+](CCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1	REAL300003976550	1	51	0.0	-71.70	376.85	2.79	-68.91
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CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)[N@@H+]1CCC2=CC=CC=C2C1	REAL300003976561	1	44	0.0	-62.06	338.63	5.49	-56.57
CC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)[N@H+]1CCC2=CC=CC=C2C1	REAL300003976561	1	44	0.0	-62.52	337.74	5.56	-56.96
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C[C@@H](O)[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300003976639	1	52	0.0	-75.29	393.75	4.94	-70.35
CC(C)[N@@H+]1CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(C2=CN(C)N=C2)C1	REAL300003976642	0	53	0.0	-83.04	394.41	4.47	-78.57
CC(C)[N@H+]1CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(C2=CN(C)N=C2)C1	REAL300003976642	1	53	0.0	-76.05	393.88	4.48	-71.57
C[C@@H](O)[C@H](NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003976643	0	47	0.0	-69.80	358.37	3.54	-66.26
C[C@@H](O)[C@H](NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003976643	1	47	0.0	-86.19	359.58	3.36	-82.83
C[C@@H](O)[C@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300003976646	0	49	0.0	-76.97	379.52	3.91	-73.06
C[C@@H](O)[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300003976647	0	49	0.0	-80.44	379.94	3.90	-76.54
C[C@@H](O)[C@H](NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300003976647	1	49	0.0	-83.99	379.41	3.78	-80.21
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C=C1	REAL300003976648	0	50	0.0	-81.41	382.51	5.34	-76.07
C[C@@H](O)[C@H](NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300003976685	0	51	0.0	-87.10	394.10	3.66	-83.44
C[C@@H](O)[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003976687	0	47	0.0	-64.56	358.06	6.39	-58.17
C[C@@H](O)[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003976687	1	47	0.0	-64.05	358.02	6.39	-57.66
C[C@@H](O)[C@H](NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003976733	0	45	0.0	-63.49	358.36	2.26	-61.23
C[C@@H](O)[C@H](NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003976733	1	45	0.0	-66.73	356.38	2.39	-64.34
C[C@@H](O)[C@H](NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300003976736	0	43	0.0	-63.67	350.37	4.62	-59.05
CC[NH+](CC)C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C1=CC=CC(C(F)(F)F)=C1	REAL300003976738	0	49	0.0	-55.28	377.93	5.88	-49.40
C[C@@H](O)[C@H](NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003976780	1	45	0.0	-83.06	355.64	4.92	-78.14
C[C@@H](O)[C@H](NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003976780	1	45	0.0	-83.19	355.85	4.90	-78.29
CC1=CC=C(N2CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC2)[NH+]=C1	REAL300003976825	1	46	0.0	-73.38	357.21	4.06	-69.32
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C=C2)CC1	REAL300003976828	0	52	0.0	-85.46	390.75	4.65	-80.81
C[C@@H](O)[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003976856	0	47	0.0	-71.94	366.35	5.82	-66.12
C[C@@H](O)[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003976856	1	47	0.0	-70.71	369.38	5.84	-64.87
C[C@@H](O)[C@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003976870	0	48	0.0	-84.80	387.54	5.24	-79.56
C[C@@H](O)[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300003976883	0	44	0.0	-77.84	348.84	4.68	-73.16
C[C@@H](O)[C@H](NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003976904	0	46	0.0	-75.86	357.18	4.17	-71.69
C[C@@H](O)[C@H](NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003976904	1	46	0.0	-71.16	355.66	4.32	-66.84
C[C@@H](O)[C@H](NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003977060	0	48	0.0	-81.49	371.73	6.48	-75.01
C[C@@H](O)[C@H](NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003977060	1	48	0.0	-80.83	372.62	6.54	-74.29
C[C@@H](O)[C@H](NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003977428	0	44	0.0	-84.44	352.50	4.08	-80.36
C[C@@H](O)[C@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003977478	0	50	0.0	-73.67	382.93	6.93	-66.74
C[C@@H](O)[C@H](NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003977480	1	48	0.0	-84.91	368.20	4.66	-80.25
C[C@@H](O)[C@H](NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003977480	1	48	0.0	-85.03	368.26	4.66	-80.37
C[C@@H](O)[C@H](NC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300003977519	0	56	0.0	-80.44	420.99	7.24	-73.20
C[C@@H](O)[C@H](NC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300003977519	1	56	0.0	-80.44	420.99	7.24	-73.20
COC[C@H](NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003978695	0	47	0.0	-75.48	369.37	7.35	-68.13
COC[C@H](NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003979416	0	44	0.0	-59.71	346.08	6.24	-53.47
COC[C@H](NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003979416	1	44	0.0	-52.19	343.93	6.21	-45.98
COC[C@H](NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300003980090	0	47	0.0	-66.55	363.67	6.80	-59.75
COC[C@H](NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300003980136	1	46	0.0	-72.63	375.91	5.39	-67.24
COC[C@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003980180	0	50	0.0	-79.12	402.35	6.87	-72.25
COC[C@H](NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003980188	0	50	0.0	-78.70	402.65	9.23	-69.47
COC[C@H](NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003980188	1	50	0.0	-80.16	403.09	9.22	-70.94
COC[C@H](NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003980189	0	50	0.0	-56.75	382.01	7.77	-48.98
COC[C@H](NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003980225	0	47	0.0	-67.23	383.74	7.68	-59.55
COC[C@H](NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003980225	1	47	0.0	-67.93	385.01	7.65	-60.28
COC[C@H](NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003980262	1	44	0.0	-60.08	357.87	6.84	-53.24
COC[C@H](NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003980262	1	44	0.0	-64.21	358.34	6.89	-57.32
COC[C@H](NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300003980302	0	40	0.0	-80.38	337.51	4.77	-75.61
COC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300003980307	0	50	0.0	-81.30	405.72	6.95	-74.35
COC[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300003980330	0	48	0.0	-77.81	359.51	4.41	-73.40
CC[N@H+](CC1=CC=C(C(=O)N[C@@H](COC)C(=O)[O-])C=C1)C(C)C	REAL300003980345	0	49	0.0	-78.64	374.97	7.23	-71.41
CC[N@@H+](CC1=CC=C(C(=O)N[C@@H](COC)C(=O)[O-])C=C1)C(C)C	REAL300003980345	1	49	0.0	-78.69	365.79	6.81	-71.88
COC[C@H](NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003980365	0	44	0.0	-66.02	350.97	6.52	-59.50
COC[C@H](NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003980365	1	44	0.0	-67.01	353.28	6.62	-60.39
COC[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300003980366	0	45	0.0	-78.33	351.60	6.02	-72.31
COC[C@H](NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300003980384	1	49	0.0	-73.74	384.83	5.28	-68.46
COC[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300003980385	0	48	0.0	-67.71	344.88	4.01	-63.70
COC[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003980394	0	50	0.0	-71.48	391.44	8.20	-63.28
COC[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003980394	1	50	0.0	-57.16	383.76	8.36	-48.80
COC[C@H](NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300003980431	1	48	0.0	-59.92	375.70	4.08	-55.84
CC[NH+](CC)C(C(=O)N[C@@H](COC)C(=O)[O-])C1=CC=CC=C1	REAL300003980436	0	46	0.0	-60.59	348.02	6.32	-54.27
COC[C@H](NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300003980437	1	40	0.0	-62.39	339.55	6.18	-56.21
COC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300003980450	0	44	0.0	-81.95	351.24	6.78	-75.17
COC[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300003980455	0	47	0.0	-76.05	368.00	7.47	-68.58
CCN1CCC([NH+]2CCC(C(=O)N[C@@H](COC)C(=O)[O-])CC2)CC1	REAL300003980461	0	55	0.0	-71.20	402.04	4.94	-66.26
COC[C@H](NC(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300003980463	0	57	0.0	-73.16	450.47	10.58	-62.58
COC[C@H](NC(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300003980463	1	57	0.0	-66.57	450.99	10.80	-55.77
COC[C@H](NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300003980467	1	51	0.0	-84.41	401.18	6.55	-77.86
COC[C@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003980478	1	48	0.0	-77.99	375.70	6.64	-71.35
COC[C@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003980478	1	48	0.0	-79.67	375.90	6.60	-73.07
COC[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003980493	0	47	0.0	-60.01	355.46	7.09	-52.92
COC[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003980493	1	47	0.0	-55.55	357.47	7.11	-48.44
COC[C@H](NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003980494	1	38	0.0	-80.80	324.04	4.01	-76.79
COC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300003980501	0	47	0.0	-82.32	367.99	7.49	-74.83
COC[C@H](NC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300003980511	0	57	0.0	-68.90	437.96	10.16	-58.74
COC[C@H](NC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300003980511	1	57	0.0	-74.18	438.50	10.10	-64.08
COC[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003980517	1	45	0.0	-73.43	355.21	5.99	-67.44
COC[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003980517	1	45	0.0	-77.42	362.30	6.20	-71.22
COC[C@H](NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300003980521	0	54	0.0	-63.90	408.27	8.99	-54.91
COC[C@H](NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300003980521	1	54	0.0	-65.55	411.98	8.96	-56.59
COC[C@H](NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003980529	0	53	0.0	-57.38	406.48	8.60	-48.78
COCCOCC[N@H+](C)CCC(=O)N[C@@H](COC)C(=O)[O-]	REAL300003980553	0	47	0.0	-66.64	375.96	2.75	-63.89
COCCOCC[N@@H+](C)CCC(=O)N[C@@H](COC)C(=O)[O-]	REAL300003980553	1	47	0.0	-66.47	375.98	2.76	-63.71
COC[C@H](NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003980562	0	52	0.0	-73.62	402.44	6.31	-67.31
COC[C@H](NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003980582	0	48	0.0	-72.94	358.03	2.92	-70.02
COC[C@H](NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003980582	1	48	0.0	-64.90	359.64	3.10	-61.80
COC[C@H](NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003980583	0	51	0.0	-72.16	385.13	4.10	-68.06
COC[C@H](NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003980583	1	51	0.0	-69.92	381.63	3.91	-66.01
COC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300003980587	0	52	0.0	-69.33	402.01	6.14	-63.19
COC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003980588	0	49	0.0	-69.00	380.09	5.43	-63.57
COC[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003980591	0	46	0.0	-70.13	364.35	5.55	-64.58
COC[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003980591	1	46	0.0	-68.06	364.26	5.46	-62.60
COC[C@H](NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003980594	1	44	0.0	-59.63	342.82	6.69	-52.94
COC[C@H](NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003980594	1	44	0.0	-60.22	343.32	6.69	-53.53
COC[C@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003980617	0	47	0.0	-73.08	372.84	7.37	-65.71
COC[C@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003980617	1	47	0.0	-74.33	373.10	7.36	-66.97
COC[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003980635	0	47	0.0	-69.96	375.84	7.38	-62.58
COC[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003980635	1	47	0.0	-61.70	367.68	7.56	-54.14
COC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300003980638	0	48	0.0	-69.36	378.84	4.87	-64.49
COC[C@H](NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300003980658	1	47	0.0	-79.06	365.85	5.56	-73.50
COC[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300003980672	0	52	0.0	-72.79	401.69	6.12	-66.67
COC[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300003980672	1	52	0.0	-73.90	398.85	6.07	-67.83
COC[C@H](NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003980675	0	53	0.0	-71.86	406.64	6.13	-65.73
COC[C@H](NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003980675	1	53	0.0	-79.19	406.65	6.13	-73.06
COC[C@H](NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003980676	0	47	0.0	-74.66	348.43	4.03	-70.63
COC[C@H](NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003980676	1	47	0.0	-83.93	364.70	4.51	-79.42
COC[C@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300003980679	0	49	0.0	-77.01	385.12	5.05	-71.96
COC[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300003980680	0	49	0.0	-80.31	385.05	5.05	-75.26
COC[C@H](NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300003980680	1	49	0.0	-82.58	384.03	4.94	-77.64
CC[NH+](CC)CCOC1=CC=C(C(=O)N[C@@H](COC)C(=O)[O-])C=C1	REAL300003980681	0	50	0.0	-80.66	387.61	6.49	-74.17
COC[C@H](NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300003980718	0	51	0.0	-84.47	399.68	4.79	-79.68
COC[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003980720	0	47	0.0	-61.96	362.70	7.54	-54.42
COC[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003980720	1	47	0.0	-65.25	369.36	7.31	-57.94
COC[C@H](NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003980766	0	45	0.0	-62.65	361.90	3.59	-59.06
COC[C@H](NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003980766	1	45	0.0	-64.14	361.35	3.59	-60.55
COC[C@H](NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300003980769	0	43	0.0	-56.36	347.05	5.97	-50.39
CC[NH+](CC)C(C(=O)N[C@@H](COC)C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300003980771	0	49	0.0	-63.11	389.04	7.41	-55.70
COC[C@H](NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003980813	1	45	0.0	-83.40	361.23	6.06	-77.34
COC[C@H](NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003980813	1	45	0.0	-83.06	360.95	6.04	-77.02
COC[C@H](NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300003980858	1	46	0.0	-72.13	362.34	5.20	-66.93
COC[C@H](NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300003980861	0	52	0.0	-83.79	394.31	6.04	-77.75
COC[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003980889	0	47	0.0	-75.92	371.92	7.09	-68.83
COC[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003980889	1	47	0.0	-69.84	366.92	7.01	-62.83
COC[C@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003980903	0	48	0.0	-83.12	390.78	6.58	-76.54
COC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300003980916	0	44	0.0	-76.22	352.89	5.74	-70.48
COC[C@H](NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003980937	0	46	0.0	-72.26	361.79	5.35	-66.91
COC[C@H](NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003980937	1	46	0.0	-67.89	360.90	5.45	-62.44
COC[C@H](NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003981093	0	48	0.0	-78.25	376.97	7.58	-70.67
COC[C@H](NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003981093	1	48	0.0	-79.02	378.67	7.57	-71.45
COC[C@H](NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003981461	0	44	0.0	-82.74	356.23	5.42	-77.32
COC[C@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003981511	0	50	0.0	-73.17	387.98	8.07	-65.10
COC[C@H](NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003981513	1	48	0.0	-84.22	373.78	5.79	-78.43
COC[C@H](NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003981513	1	48	0.0	-83.85	373.36	5.81	-78.04
COC[C@H](NC(=O)[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300003981552	0	56	0.0	-78.25	424.21	8.58	-69.67
COC[C@H](NC(=O)[C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C1=CC=C(F)C=C1F)C(=O)[O-]	REAL300003981552	1	56	0.0	-78.25	424.21	8.58	-69.67
CC[C@H](NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003982559	0	46	0.0	-74.43	357.51	9.12	-65.31
CC[C@H](NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300003983712	0	46	0.0	-67.90	349.42	8.70	-59.20
CC[C@H](NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300003983744	1	45	0.0	-71.15	363.70	7.18	-63.97
CC[C@H](NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003983776	0	49	0.0	-76.96	389.66	8.67	-68.29
CC[C@H](NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003983781	0	49	0.0	-76.94	391.05	11.03	-65.91
CC[C@H](NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003983781	1	49	0.0	-78.38	391.23	10.96	-67.42
CC[C@H](NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003983782	0	49	0.0	-57.70	370.22	9.53	-48.17
CC[C@H](NC(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003983808	0	46	0.0	-66.01	372.37	9.44	-56.57
CC[C@H](NC(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003983808	1	46	0.0	-64.44	371.04	9.32	-55.12
CC[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003983836	1	46	0.0	-54.42	360.62	9.13	-45.29
CC[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003983836	1	46	0.0	-62.66	361.20	9.15	-53.51
CC[C@H](NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003983837	1	43	0.0	-61.97	340.64	8.07	-53.90
CC[C@H](NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003983837	1	43	0.0	-63.04	346.37	8.67	-54.37
CC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300003983876	0	49	0.0	-79.29	393.86	8.69	-70.60
CC[C@H](NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300003983902	0	48	0.0	-80.00	354.72	8.74	-71.26
CC[C@H](NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300003983902	1	48	0.0	-76.87	359.56	8.83	-68.04
CC[C@H](NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300003983916	0	44	0.0	-77.31	339.40	7.81	-69.50
CC[C@H](NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300003983933	1	48	0.0	-71.61	372.14	7.08	-64.53
CC[C@H](NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003983939	0	49	0.0	-69.96	379.24	9.98	-59.98
CC[C@H](NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003983939	1	49	0.0	-56.17	372.91	10.18	-45.99
CC[C@H](NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300003983968	1	47	0.0	-52.35	364.58	5.83	-46.52
CC[C@H](NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300003983981	0	46	0.0	-74.12	356.14	9.22	-64.90
CC[C@H](NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300003983986	0	54	0.0	-70.33	390.18	6.70	-63.63
CC[C@H](NC(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300003983988	0	56	0.0	-69.91	440.81	12.47	-57.44
CC[C@H](NC(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC(C)=C1)C(=O)[O-]	REAL300003983988	1	56	0.0	-66.53	439.99	12.64	-53.89
CC[C@H](NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300003983992	1	50	0.0	-83.27	389.45	8.26	-75.01
CC[C@H](NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003984002	1	47	0.0	-76.64	363.14	8.40	-68.24
CC[C@H](NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003984002	1	47	0.0	-74.14	369.93	8.45	-65.69
CC[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003984015	0	46	0.0	-53.85	355.08	9.04	-44.81
CC[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003984015	1	46	0.0	-58.65	354.21	9.06	-49.59
CC[C@H](NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300003984018	0	46	0.0	-80.27	355.30	9.28	-70.99
CC[C@H](NC(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300003984025	0	56	0.0	-68.21	425.45	11.91	-56.30
CC[C@H](NC(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C(=O)[O-]	REAL300003984025	1	56	0.0	-72.44	426.29	11.90	-60.54
CC[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003984028	1	44	0.0	-72.58	343.14	7.82	-64.76
CC[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003984028	1	44	0.0	-55.82	342.56	7.77	-48.05
CC[C@H](NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300003984029	0	53	0.0	-62.20	396.85	10.73	-51.47
CC[C@H](NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300003984029	1	53	0.0	-63.94	400.61	10.71	-53.23
CC[C@H](NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003984036	0	52	0.0	-55.02	393.79	10.39	-44.63
CC[C@H](NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003984055	0	51	0.0	-71.92	389.89	8.06	-63.86
CC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300003984072	0	51	0.0	-69.10	390.63	7.89	-61.21
CC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003984073	0	48	0.0	-69.16	369.22	7.22	-61.94
CC[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003984075	0	45	0.0	-66.94	346.26	7.51	-59.43
CC[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003984075	1	45	0.0	-63.03	346.14	7.42	-55.61
CC[C@H](NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003984097	0	46	0.0	-72.09	361.22	9.18	-62.91
CC[C@H](NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003984097	1	46	0.0	-72.27	360.41	9.16	-63.11
CC[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003984110	0	46	0.0	-66.26	356.91	9.38	-56.88
CC[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003984110	1	46	0.0	-65.58	363.11	9.18	-56.40
CC[C@H](NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300003984112	0	47	0.0	-67.10	366.15	6.67	-60.43
CC[C@H](NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300003984126	1	46	0.0	-78.30	353.99	7.33	-70.97
CC[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300003984136	0	51	0.0	-70.17	389.00	7.92	-62.25
CC[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300003984136	1	51	0.0	-72.07	384.94	7.70	-64.37
CC[C@H](NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003984138	0	52	0.0	-71.09	394.78	7.88	-63.21
CC[C@H](NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003984138	1	52	0.0	-77.47	393.96	7.94	-69.53
CC[C@H](NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003984139	0	46	0.0	-75.19	338.02	5.83	-69.36
CC[C@H](NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003984139	1	46	0.0	-81.99	352.00	6.31	-75.68
CC[C@H](NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300003984142	0	48	0.0	-79.66	372.37	6.83	-72.83
CC[C@H](NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300003984143	0	48	0.0	-78.24	372.95	6.87	-71.37
CC[C@H](NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300003984143	1	48	0.0	-81.64	372.66	6.68	-74.96
CC[C@H](NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300003984144	0	49	0.0	-79.62	379.33	8.58	-71.04
CC[C@H](NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300003984171	0	50	0.0	-84.32	386.99	6.58	-77.74
CC[C@H](NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003984173	0	46	0.0	-64.71	357.33	9.13	-55.58
CC[C@H](NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003984173	1	46	0.0	-60.91	351.24	9.27	-51.64
CC[C@H](NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003984213	0	44	0.0	-61.49	350.21	5.35	-56.14
CC[C@H](NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003984213	1	44	0.0	-63.33	349.63	5.30	-58.03
CC[C@H](NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300003984216	0	42	0.0	-54.84	335.68	7.70	-47.14
CC[C@H](NC(=O)C(C1=CC=CC(C(F)(F)F)=C1)[NH+](CC)CC)C(=O)[O-]	REAL300003984218	0	48	0.0	-53.13	369.47	9.08	-44.05
CC[C@H](NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300003984233	1	49	0.0	-52.88	358.57	6.84	-46.04
CC[C@H](NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003984247	1	44	0.0	-80.82	348.54	7.86	-72.96
CC[C@H](NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003984247	1	44	0.0	-80.90	348.74	7.83	-73.07
CC[C@H](NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300003984275	1	45	0.0	-70.18	349.65	7.00	-63.18
CC[C@H](NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300003984277	0	51	0.0	-81.91	381.76	7.79	-74.12
CC[C@H](NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003984294	0	46	0.0	-75.17	360.06	8.85	-66.32
CC[C@H](NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003984294	1	46	0.0	-68.27	360.40	8.97	-59.30
CC[C@H](NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003984307	0	47	0.0	-80.95	378.08	8.39	-72.56
CC[C@H](NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003984330	0	45	0.0	-71.50	350.21	7.14	-64.36
CC[C@H](NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003984330	1	45	0.0	-66.64	348.92	7.22	-59.42
CC[C@H](NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003984434	0	47	0.0	-77.68	365.10	9.32	-68.36
CC[C@H](NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003984434	1	47	0.0	-78.31	366.95	9.39	-68.92
CC[C@H](NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300003984454	1	46	0.0	-51.21	360.65	9.14	-42.07
CC[C@H](NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300003984454	1	46	0.0	-53.78	351.19	8.97	-44.81
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CC[C@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003984722	0	49	0.0	-70.77	375.29	9.87	-60.90
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CC[C@H](NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003984723	1	47	0.0	-82.31	361.15	7.59	-74.72
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CC(C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@H+](C)CC1=CC=CC=C1	REAL300003987990	0	49	0.0	-60.71	395.96	11.02	-49.69
CC(C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[N@@H+](C)CC1=CC=CC=C1	REAL300003987990	1	49	0.0	-57.13	395.91	11.05	-46.08
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CC(C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[NH+]1CCSCC1	REAL300003988205	1	44	0.0	-59.39	355.49	8.86	-50.53
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CC1=CC=C(N2CCC(C(=O)N[C@H](CC3=CC=C(F)C=C3)C(=O)[O-])CC2)[NH+]=C1	REAL300003988872	1	52	0.0	-70.30	415.29	10.03	-60.27
C[N@H+](CC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300003988873	1	46	0.0	-61.33	377.68	10.63	-50.70
C[N@@H+](CC(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])CC1=CC=CC=C1	REAL300003988873	1	46	0.0	-61.99	377.97	10.56	-51.43
CC(C)[C@@H](C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-])[NH+](C)C	REAL300003988884	0	45	0.0	-54.80	350.41	8.83	-45.97
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1	REAL300003988902	1	41	0.0	-76.56	360.51	8.41	-68.15
C[NH+](C)CC1=CC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=NO1	REAL300003988932	1	42	0.0	-77.38	359.05	8.01	-69.37
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003988936	0	53	0.0	-74.40	423.56	11.99	-62.41
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003988936	1	53	0.0	-70.40	424.66	12.00	-58.40
CC(C)[N@@H+]1CCCC1C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003988952	0	46	0.0	-56.00	359.82	9.16	-46.84
CC(C)[N@H+]1CCCC1C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003988952	1	46	0.0	-54.56	348.11	8.94	-45.62
C[NH+]1CCC(OCC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003988978	0	47	0.0	-76.69	380.93	9.12	-67.57
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300003988983	0	50	0.0	-76.80	406.05	10.62	-66.18
CCC[N@@H+]1CCCC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003989177	0	49	0.0	-56.42	378.52	10.26	-46.16
CCC[N@H+]1CCCC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003989177	1	49	0.0	-63.20	384.74	10.05	-53.15
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003989209	0	49	0.0	-56.31	385.97	10.21	-46.10
CC(C)C[N@H+]1CCCC1C(=O)N[C@H](CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003989209	1	49	0.0	-55.69	373.60	9.33	-46.36
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C[NH+]1CCC(CO)CC1	REAL300003989210	1	47	0.0	-58.70	374.82	6.22	-52.48
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300003989317	0	54	0.0	-68.05	429.73	12.48	-55.57
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300003989317	1	54	0.0	-70.47	432.14	12.39	-58.08
CC(C)[N@@H+]1CCCC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003989448	0	49	0.0	-63.17	379.90	9.82	-53.35
CC(C)[N@H+]1CCCC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003989448	1	49	0.0	-54.36	373.88	9.96	-44.40
C[N@@H+]1CC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003989449	0	43	0.0	-69.84	349.72	9.06	-60.78
C[N@H+]1CC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C(C(F)(F)F)C1	REAL300003989449	1	43	0.0	-73.62	353.29	8.55	-65.07
CC1=C(C)[NH+]=C(CCC(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])N1	REAL300003989475	1	44	0.0	-60.11	371.45	8.24	-51.87
C[NH+](C)CCC1=CC=CC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300003989972	0	49	0.0	-77.27	401.91	11.28	-65.99
C[NH+](C)CCOC1=CC=C(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300003989979	0	50	0.0	-82.21	409.20	10.26	-71.95
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300003990076	0	56	0.0	-64.94	440.79	12.97	-51.97
C[NH+](C)[C@H]1C[C@H](C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003990122	0	43	0.0	-65.18	350.95	8.70	-56.48
C[NH+](C)[C@H]1CC[C@@H](C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300003990126	0	49	0.0	-55.77	373.57	9.65	-46.12
CC(C)C[N@@H+]1CCCC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003990196	0	52	0.0	-55.97	396.20	10.87	-45.10
CC(C)C[N@H+]1CCCC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003990196	1	52	0.0	-55.97	396.20	10.87	-45.10
CC[N@@H+]1CCCC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003990197	0	46	0.0	-54.88	357.26	9.46	-45.42
CC[N@H+]1CCCC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003990197	1	46	0.0	-54.88	357.26	9.46	-45.42
C[N@@H+]1CCCC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003990201	0	43	0.0	-64.96	345.55	8.64	-56.32
C[N@H+]1CCCC(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003990201	1	43	0.0	-64.96	345.55	8.64	-56.32
CN(C)CC1=CC=C(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300003990203	0	43	0.0	-79.38	365.59	8.84	-70.54
C[NH+](C)CC1=CC=C(C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300003990203	1	43	0.0	-79.38	365.59	8.84	-70.54
C[N@@H+]1CCCC(C(C)(C)C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003990209	0	52	0.0	-73.36	390.95	10.16	-63.20
C[N@H+]1CCCC(C(C)(C)C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300003990209	1	52	0.0	-73.36	390.95	10.16	-63.20
O=C([O-])[C@@H](CC1=CC=C(F)C=C1)NC(=O)C12CC(C1)C[N@@H+]2C1CC1	REAL300003990212	0	45	0.0	-66.19	356.83	9.06	-57.13
CCC(C)CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003991534	0	55	0.0	-74.31	414.17	11.01	-63.30
CCC(C)CC(NC(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003992311	0	52	0.0	-51.77	389.93	9.99	-41.78
CCC(C)CC(NC(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003992311	1	52	0.0	-59.13	391.11	9.95	-49.18
CCC(C)CC(NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C(=O)[O-]	REAL300003993205	1	47	0.0	-61.49	361.46	8.65	-52.84
CCC(C)CC(NC(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C(=O)[O-]	REAL300003993206	0	55	0.0	-68.25	414.93	11.06	-57.19
CCC(C)CC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C(=O)[O-]	REAL300003993271	1	54	0.0	-74.31	421.89	8.82	-65.49
CCC(C)CC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003993349	0	58	0.0	-78.72	447.56	10.58	-68.14
CCC(C)CC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003993363	0	58	0.0	-78.87	448.35	12.90	-65.97
CCC(C)CC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300003993363	1	58	0.0	-78.36	448.22	12.91	-65.45
CCC(C)CC(NC(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003993364	0	58	0.0	-70.99	426.86	11.54	-59.45
CCC(C)CC(NC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)[O-]	REAL300003993447	0	54	0.0	-76.73	379.05	9.08	-67.65
CCC(C)CC(NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-]	REAL300003993450	0	54	0.0	-66.12	391.65	9.48	-56.64
CCC(C)CC(NC(=O)CC[N@@H+](C)C1CCCCC1)C(=O)[O-]	REAL300003993450	1	54	0.0	-65.99	391.90	9.43	-56.56
CCC(C)CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003993474	1	55	0.0	-63.90	417.97	11.07	-52.83
CCC(C)CC(NC(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003993474	1	55	0.0	-56.24	408.15	10.92	-45.32
CCC(C)CC(NC(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003993475	1	52	0.0	-62.95	403.02	10.60	-52.35
CCC(C)CC(NC(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300003993475	1	52	0.0	-59.69	402.27	10.51	-49.18
CCC(C)CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C(=O)[O-]	REAL300003993529	0	48	0.0	-78.95	382.51	8.48	-70.47
CCC(C)CC(NC(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300003993534	0	58	0.0	-80.88	446.40	10.64	-70.24
CCC(C)CC(NC(=O)C1CCCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300003993560	0	55	0.0	-55.46	390.00	9.63	-45.83
CCC(C)CC(NC(=O)C1CCCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300003993560	1	55	0.0	-58.12	386.03	9.76	-48.36
CCC(C)CC(NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(=O)[O-]	REAL300003993561	0	56	0.0	-77.67	405.07	8.11	-69.56
CCC(C)CC(NC(=O)CCCC[NH+]1CCOCC1)C(=O)[O-]	REAL300003993589	1	52	0.0	-74.14	391.63	7.42	-66.72
CCC(C)CC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300003993591	0	57	0.0	-77.61	410.85	10.50	-67.11
CCC(C)CC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C(=O)[O-]	REAL300003993591	1	57	0.0	-80.63	412.67	10.78	-69.85
CCC(C)CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003993615	0	52	0.0	-66.56	396.48	10.22	-56.34
CCC(C)CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003993615	1	52	0.0	-66.77	396.50	10.25	-56.52
CCC(C)CC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C(=O)[O-]	REAL300003993616	0	53	0.0	-73.14	393.18	9.47	-63.67
CCC(C)CC(NC(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C(=O)[O-]	REAL300003993639	1	57	0.0	-69.80	426.91	9.14	-60.66
CCC(C)CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(=O)[O-]	REAL300003993640	0	56	0.0	-67.30	390.67	7.73	-59.57
CCC(C)CC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003993643	0	51	0.0	-57.33	388.10	9.87	-47.46
CCC(C)CC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003993643	1	51	0.0	-57.18	387.63	9.86	-47.32
CCC(C)CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003993653	0	58	0.0	-56.55	429.97	12.14	-44.41
CCC(C)CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003993653	1	58	0.0	-55.77	428.55	12.12	-43.65
CCC(C)CC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C(=O)[O-]	REAL300003993684	0	47	0.0	-75.59	366.47	7.51	-68.08
CCC[NH+](CCC)CCCC(=O)NC(CC(C)CC)C(=O)[O-]	REAL300003993695	0	56	0.0	-68.38	410.61	9.80	-58.58
CCC(C)CC(NC(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C(=O)[O-]	REAL300003993696	1	56	0.0	-59.81	420.55	7.84	-51.97
CCC(C)CC(NC(=O)C(C1=CC=CC=C1)[N@H+](C)CC)C(=O)[O-]	REAL300003993697	0	51	0.0	-50.92	385.04	10.03	-40.89
CCC(C)CC(NC(=O)C(C1=CC=CC=C1)[N@@H+](C)CC)C(=O)[O-]	REAL300003993697	1	51	0.0	-52.12	385.80	9.96	-42.16
CCC(C)CC(NC(=O)C(C1=CC=CC=C1)[NH+](CC)CC)C(=O)[O-]	REAL300003993702	0	54	0.0	-50.27	385.97	9.83	-40.44
CCC(C)CC(NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C(=O)[O-]	REAL300003993708	1	48	0.0	-54.18	383.97	9.93	-44.25
CCC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C(=O)[O-]	REAL300003993722	0	52	0.0	-79.80	394.61	10.45	-69.35
CCC(C)CC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C(=O)[O-]	REAL300003993729	0	55	0.0	-73.08	412.96	11.25	-61.83
CCC(C)CC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C(=O)[O-]	REAL300003993735	0	63	0.0	-69.83	447.98	8.84	-60.99
CCC(C)CC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C(=O)[O-]	REAL300003993742	1	59	0.0	-84.20	445.51	10.26	-73.94
CCC(C)CC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003993751	1	56	0.0	-78.32	420.55	10.30	-68.02
CCC(C)CC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003993751	1	56	0.0	-78.94	427.78	10.37	-68.57
CCC(C)CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003993765	0	55	0.0	-52.90	411.79	11.06	-41.84
CCC(C)CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)[O-]	REAL300003993765	1	55	0.0	-53.71	401.72	10.86	-42.85
CCC(C)CC(NC(=O)C1=C(C)N(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003993767	1	46	0.0	-79.82	367.52	7.71	-72.11
CCC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C(=O)[O-]	REAL300003993775	0	55	0.0	-80.75	411.93	11.18	-69.57
CCC(C)CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C(=O)[O-]	REAL300003993787	1	48	0.0	-77.50	376.65	8.01	-69.49
CCC(C)CC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003993788	0	51	0.0	-85.36	393.17	10.21	-75.15
CCC(C)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003993796	1	53	0.0	-73.28	390.79	10.33	-62.95
CCC(C)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C(=O)[O-]	REAL300003993796	1	53	0.0	-73.31	391.06	10.33	-62.98
CCC(C)CC(NC(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C(=O)[O-]	REAL300003993802	0	62	0.0	-62.53	449.70	12.45	-50.08
CCC(C)CC(NC(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C(=O)[O-]	REAL300003993802	1	62	0.0	-65.21	457.54	12.66	-52.55
CCC(C)CC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003993810	0	61	0.0	-56.13	445.97	12.25	-43.88
CCC(C)CC(NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003993849	0	51	0.0	-61.22	391.72	10.35	-50.87
CCC(C)CC(NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300003993849	1	51	0.0	-62.05	392.49	10.27	-51.78
CCC(C)CC(NC(=O)CC[N@H+](C)CCOCCOC)C(=O)[O-]	REAL300003993850	0	55	0.0	-66.40	421.54	6.46	-59.94
CCC(C)CC(NC(=O)CC[N@@H+](C)CCOCCOC)C(=O)[O-]	REAL300003993850	1	55	0.0	-66.54	421.49	6.44	-60.10
CCC(C)CC(NC(=O)CC1(O)CCC[N@H+](C)C1)C(=O)[O-]	REAL300003993853	0	49	0.0	-67.36	349.96	6.15	-61.21
CCC(C)CC(NC(=O)CC1(O)CCC[N@@H+](C)C1)C(=O)[O-]	REAL300003993853	1	49	0.0	-59.25	353.71	5.97	-53.28
CCC(C)CC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003993861	0	60	0.0	-72.07	446.82	10.02	-62.05
CCCCCC[N@H+](C)CC(=O)NC(CC(C)CC)C(=O)[O-]	REAL300003993864	0	53	0.0	-60.31	397.08	9.59	-50.72
CCCCCC[N@@H+](C)CC(=O)NC(CC(C)CC)C(=O)[O-]	REAL300003993864	1	53	0.0	-59.52	396.31	9.68	-49.84
CCC(C)CC(NC(=O)C[N@H+](C)C1CCSC1)C(=O)[O-]	REAL300003993888	0	46	0.0	-61.09	354.11	8.05	-53.04
CCC(C)CC(NC(=O)C[N@@H+](C)C1CCSC1)C(=O)[O-]	REAL300003993888	1	46	0.0	-60.63	352.08	8.15	-52.48
CCC(C)CC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003993899	0	56	0.0	-70.90	408.46	7.07	-63.83
CCC(C)CC(NC(=O)CC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003993899	1	56	0.0	-65.56	405.02	6.81	-58.75
CCC(C)CC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C(=O)[O-]	REAL300003993900	0	59	0.0	-69.61	430.33	7.80	-61.81
CCC(C)CC(NC(=O)CCC[NH+]1CCN(C(C)C)CC1)C(=O)[O-]	REAL300003993900	1	59	0.0	-68.04	425.69	7.65	-60.39
CCC(C)CC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C(=O)[O-]	REAL300003993902	0	48	0.0	-78.76	377.67	7.32	-71.44
CCC(C)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C(=O)[O-]	REAL300003993907	0	60	0.0	-69.27	447.56	9.84	-59.43
CCC(C)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003993909	0	57	0.0	-69.08	426.16	9.17	-59.91
CCC(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003993913	0	54	0.0	-65.58	402.22	9.51	-56.07
CCC(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C(=O)[O-]	REAL300003993913	1	54	0.0	-65.90	401.82	9.50	-56.40
CCC(C)CC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003993918	1	52	0.0	-60.22	388.39	10.40	-49.82
CCC(C)CC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300003993918	1	52	0.0	-57.48	388.81	10.38	-47.10
CCC(C)CC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003993946	0	55	0.0	-73.82	418.53	11.06	-62.76
CCC(C)CC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003993946	1	55	0.0	-72.56	416.30	11.00	-61.56
CCC(C)CC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003993958	0	48	0.0	-87.06	377.92	7.41	-79.65
CCC(C)CC(NC(=O)C1=CC=NN1CC[NH+](C)C)C(=O)[O-]	REAL300003993959	0	48	0.0	-56.94	368.14	8.08	-48.86
CCC1=[NH+]C=CN1C(C)CC(=O)NC(CC(C)CC)C(=O)[O-]	REAL300003993964	1	49	0.0	-61.53	379.31	9.05	-52.48
CCC(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003993978	0	55	0.0	-65.40	413.70	11.34	-54.06
CCC(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C(=O)[O-]	REAL300003993978	1	55	0.0	-68.80	420.63	11.16	-57.64
CCC(C)CC(NC(=O)C(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300003993983	0	49	0.0	-65.93	364.67	6.57	-59.36
CCC(C)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C(=O)[O-]	REAL300003993984	0	56	0.0	-67.58	423.05	8.63	-58.95
CCC(C)CC(NC(=O)C1CC[NH+](CC2=NC=CN2C)CC1)C(=O)[O-]	REAL300003994030	1	55	0.0	-79.31	410.66	9.33	-69.98
CCC(C)CC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003994031	0	55	0.0	-65.20	398.72	9.83	-55.37
CCC(C)CC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C(=O)[O-]	REAL300003994031	1	55	0.0	-66.19	398.37	9.76	-56.43
CCC(C)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300003994051	0	60	0.0	-69.37	446.77	10.02	-59.35
CCC(C)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C(=O)[O-]	REAL300003994051	1	60	0.0	-71.30	446.59	9.79	-61.51
CCC(C)CC(NC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)[O-]	REAL300003994058	0	52	0.0	-55.29	372.51	6.95	-48.34
CCC(C)CC(NC(=O)C1CC[N@@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003994061	0	61	0.0	-59.86	435.38	9.16	-50.70
CCC(C)CC(NC(=O)C1CC[N@H+](C(C)C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003994061	1	61	0.0	-60.36	436.02	9.12	-51.24
CCC(C)CC(NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003994062	0	55	0.0	-83.40	417.37	8.69	-74.71
CCC(C)CC(NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C(=O)[O-]	REAL300003994062	1	55	0.0	-83.44	409.17	8.28	-75.16
CCC(C)CC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C(=O)[O-]	REAL300003994068	0	57	0.0	-72.16	430.32	8.74	-63.42
CCC(C)CC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300003994069	0	57	0.0	-78.65	429.25	8.56	-70.09
CCC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCN(C)CC2)C=C1)C(=O)[O-]	REAL300003994069	1	57	0.0	-81.98	429.59	8.63	-73.35
CCC(C)CC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C(=O)[O-]	REAL300003994070	0	58	0.0	-80.11	436.50	10.47	-69.64
CCC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C(=O)[O-]	REAL300003994172	0	59	0.0	-84.29	443.91	8.54	-75.75
CCC(C)CC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C(=O)[O-]	REAL300003994176	0	48	0.0	-76.19	371.39	9.40	-66.79
CCC(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003994177	0	55	0.0	-65.82	414.51	11.06	-54.76
CCC(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003994177	1	55	0.0	-65.77	414.56	11.01	-54.76
CCC(C)CC(NC(=O)C1=CC=CC=C1C[NH+](C)C)C(=O)[O-]	REAL300003994233	0	48	0.0	-49.44	364.20	9.58	-39.86
CCC(C)CC(NC(=O)CCN1CC[NH+](CC)CC1)C(=O)[O-]	REAL300003994235	0	53	0.0	-70.82	390.56	6.39	-64.43
CCC(C)CC(NC(=O)CC[NH+]1CCN(CC)CC1)C(=O)[O-]	REAL300003994235	1	53	0.0	-64.06	391.13	6.53	-57.53
CCC(C)CC(NC(=O)C(C(C)C)[NH+]1CCCCC1)C(=O)[O-]	REAL300003994238	0	54	0.0	-57.15	382.16	9.35	-47.80
CCC(C)CC(NC(=O)C(C1=CC=CC=C1)[NH+](C)C)C(=O)[O-]	REAL300003994239	1	48	0.0	-59.02	367.81	9.39	-49.63
CCC(C)CC(NC(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003994243	0	53	0.0	-63.28	407.11	7.35	-55.93
CCC(C)CC(NC(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)[O-]	REAL300003994243	1	53	0.0	-64.36	406.69	7.31	-57.05
CCC(C)CC(NC(=O)CCN1C=C[NH+]=C1C(C)C)C(=O)[O-]	REAL300003994248	1	49	0.0	-59.96	377.96	9.03	-50.93
CCC(C)CC(NC(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C(=O)[O-]	REAL300003994249	0	51	0.0	-59.75	398.81	9.69	-50.06
CCC(C)CC(NC(=O)C1CCC[N@@H+]1C1CCCC1)C(=O)[O-]	REAL300003994253	0	52	0.0	-58.66	376.32	9.38	-49.28
CCC(C)CC(NC(=O)C1CCC[N@H+]1C1CCCC1)C(=O)[O-]	REAL300003994253	1	52	0.0	-57.73	378.97	9.28	-48.45
CCC(C)CC(NC(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1)C(=O)[O-]	REAL300003994277	1	58	0.0	-52.62	412.69	8.84	-43.78
CCC(C)CC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003994304	1	53	0.0	-81.42	405.53	9.84	-71.58
CCC(C)CC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C(=O)[O-]	REAL300003994304	1	53	0.0	-81.40	406.51	9.75	-71.65
CCC(C)CC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C(=O)[O-]	REAL300003994357	0	51	0.0	-74.67	389.19	8.75	-65.92
CCC(C)CC(NC(=O)C1CCN(C2=CC=C(C)C=[NH+]2)CC1)C(=O)[O-]	REAL300003994358	1	54	0.0	-71.52	407.53	8.92	-62.60
CCC(C)CC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003994359	1	48	0.0	-62.45	370.02	9.43	-53.02
CCC(C)CC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C(=O)[O-]	REAL300003994359	1	48	0.0	-61.52	369.25	9.51	-52.01
CCC(C)CC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C(=O)[O-]	REAL300003994362	0	60	0.0	-81.52	439.52	9.70	-71.82
CCC(C)CC(NC(=O)C1=CN(C2=CC=[NH+]C=C2)N=C1)C(=O)[O-]	REAL300003994373	1	43	0.0	-77.63	352.66	7.27	-70.36
CCC(C)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003994407	0	55	0.0	-66.40	409.32	10.69	-55.71
CCC(C)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C(=O)[O-]	REAL300003994407	1	55	0.0	-75.69	417.95	10.89	-64.80
CCC(C)CC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003994425	0	56	0.0	-82.99	435.87	10.33	-72.66
CCC(C)CC(NC(=O)COC1CC[NH+](C)CC1)C(=O)[O-]	REAL300003994440	0	49	0.0	-78.38	373.44	7.92	-70.46
CCC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C(=O)[O-]	REAL300003994444	0	52	0.0	-77.43	398.57	9.43	-68.00
CCC(C)CC(NC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003994475	0	54	0.0	-61.75	406.77	9.11	-52.64
CCC(C)CC(NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C(=O)[O-]	REAL300003994475	1	54	0.0	-67.77	406.48	9.10	-58.67
CCC(C)CC(NC(=O)C[NH+]1CCC(CO)CC1)C(=O)[O-]	REAL300003994635	1	49	0.0	-59.45	366.91	5.08	-54.37
CCC(C)CC(NC(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003994720	0	56	0.0	-64.21	422.40	11.33	-52.88
CCC(C)CC(NC(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C(=O)[O-]	REAL300003994720	1	56	0.0	-78.11	422.69	11.44	-66.67
CCC(C)CC(NC(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300003994752	1	55	0.0	-57.39	417.54	11.10	-46.29
CCC(C)CC(NC(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300003994752	1	55	0.0	-60.61	409.06	10.87	-49.74
CCC(C)CC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003994835	0	45	0.0	-68.12	357.65	7.59	-60.53
CCC(C)CC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C(=O)[O-]	REAL300003994835	1	45	0.0	-78.82	357.07	7.63	-71.19
CCC(C)CC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C(=O)[O-]	REAL300003995268	0	51	0.0	-78.72	393.89	10.23	-68.49
CCC(C)CC(NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C(=O)[O-]	REAL300003995274	0	52	0.0	-81.61	401.29	9.12	-72.49
CCC(C)CC(NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)[O-]	REAL300003995353	0	58	0.0	-69.42	433.06	11.77	-57.65
CCC(C)CC(NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003995355	1	56	0.0	-83.85	418.63	9.56	-74.29
CCC(C)CC(NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C(=O)[O-]	REAL300003995355	1	56	0.0	-84.37	418.70	9.56	-74.81
CCC(C)CC(NC(=O)C1CCC[N@H+](CC(C)C)C1)C(=O)[O-]	REAL300003995439	0	54	0.0	-58.50	388.05	9.82	-48.68
CCC(C)CC(NC(=O)C1CCC[N@@H+](CC(C)C)C1)C(=O)[O-]	REAL300003995439	1	54	0.0	-58.50	388.05	9.82	-48.68
CCC(C)CC(NC(=O)C(C)(C)C1CCC[N@H+](C)C1)C(=O)[O-]	REAL300003995447	0	54	0.0	-74.18	383.47	8.96	-65.22
CCC(C)CC(NC(=O)C(C)(C)C1CCC[N@@H+](C)C1)C(=O)[O-]	REAL300003995447	1	54	0.0	-74.18	383.47	8.96	-65.22
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1F	REAL300003995548	0	46	0.0	-45.59	346.38	8.22	-37.37
CC(C)(NC(=O)C[N@@H+]1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300003995645	0	46	0.0	-48.60	343.28	8.79	-39.81
CC1=CC=C(CN(CCCC(C)C)C(=O)C[N@@H+]2CCCC(C(=O)[O-])C2)O1	REAL300003995747	0	58	0.0	-50.01	429.49	12.07	-37.94
O=C([O-])C1=CC(OC2=CC=C(NC(=O)C3CC[NH+](C4CC4)CC3)C=C2)=CC=N1	REAL300003996959	0	51	0.0	-85.77	403.47	9.43	-76.34
O=C([O-])C1=CC(OC2=CC=C(NC(=O)C3CCC[N@@H+]3C3CC3)C=C2)=CC=N1	REAL300003996977	0	48	0.0	-73.23	390.23	9.05	-64.18
O=C([O-])C1=CC(OC2=CC=C(NC(=O)C3CCC[N@H+]3C3CC3)C=C2)=CC=N1	REAL300003996977	1	48	0.0	-78.17	385.45	8.46	-69.71
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(OC4=CC=NC(C(=O)[O-])=C4)C=C3)CN21	REAL300003996981	1	49	0.0	-78.42	401.65	9.31	-69.11
C[NH+](C)CC(=O)NC1=CC=C(OC2=CC=NC(C(=O)[O-])=C2)C=C1	REAL300003997024	1	40	0.0	-86.20	333.29	6.57	-79.63
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(OC2=CC=NC(C(=O)[O-])=C2)C=C1	REAL300003997025	1	47	0.0	-79.91	366.26	7.98	-71.93
C[N@H+]1CCCCC1C(=O)NC1=CC=C(OC2=CC=NC(C(=O)[O-])=C2)C=C1	REAL300003997025	1	47	0.0	-83.30	366.55	7.98	-75.32
CC(C(=O)NC1=CC=C(OC2=CC=NC(C(=O)[O-])=C2)C=C1)N1CC[NH+](C)CC1	REAL300003997026	1	52	0.0	-82.64	406.36	6.49	-76.15
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OC2=CC=NC(C(=O)[O-])=C2)C=C1	REAL300003997055	1	47	0.0	-79.34	376.41	8.18	-71.16
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OC2=CC=NC(C(=O)[O-])=C2)C=C1	REAL300003997055	1	47	0.0	-83.27	367.15	7.99	-75.28
C[NH+]1CCC(C(=O)NC2=CC=C(OC3=CC=NC(C(=O)[O-])=C3)C=C2)CC1	REAL300003997095	0	47	0.0	-87.96	378.83	8.24	-79.72
O=C([O-])C1=CC(OC2=CC=C(NC(=O)C3=CN4C=[NH+]C=C4C=C3)C=C2)=CC=N1	REAL300003997121	0	42	0.0	-84.07	363.96	10.09	-73.98
C[NH+](C)CC1(C(=O)NC2=CC=C(OC3=CC=NC(C(=O)[O-])=C3)C=C2)CCCCC1	REAL300003997140	0	56	0.0	-87.16	416.76	10.11	-77.05
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CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(OC3=CC=NC(C(=O)[O-])=C3)C=C2)C1	REAL300003997960	0	53	0.0	-83.78	417.80	9.65	-74.13
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(OC3=CC=NC(C(=O)[O-])=C3)C=C2)C1	REAL300003997960	1	53	0.0	-83.97	418.00	9.60	-74.37
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(OC2=CC=NC(C(=O)[O-])=C2)C=C1	REAL300003997976	0	53	0.0	-81.96	416.85	9.71	-72.25
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(OC2=CC=NC(C(=O)[O-])=C2)C=C1	REAL300003997976	1	53	0.0	-75.76	411.86	9.21	-66.55
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CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(OC3=CC=NC(C(=O)[O-])=C3)C=C2)C1	REAL300003998112	1	53	0.0	-77.94	407.36	9.60	-68.34
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(OC3=CC=NC(C(=O)[O-])=C3)C=C2)N1	REAL300003998128	1	48	0.0	-79.78	404.03	7.86	-71.92
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=C(OC3=CC=NC(C(=O)[O-])=C3)C=C2)C1	REAL300003998481	0	47	0.0	-84.69	383.50	8.32	-76.37
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CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=C(OC3=CC=NC(C(=O)[O-])=C3)C=C2)C1	REAL300003998524	0	56	0.0	-79.62	434.88	10.26	-69.36
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=C(OC3=CC=NC(C(=O)[O-])=C3)C=C2)C1	REAL300003998524	1	56	0.0	-79.62	434.88	10.26	-69.36
CC[N@@H+]1CCCC(C(=O)NC2=CC=C(OC3=CC=NC(C(=O)[O-])=C3)C=C2)C1	REAL300003998525	0	50	0.0	-78.32	389.39	9.06	-69.26
CC[N@H+]1CCCC(C(=O)NC2=CC=C(OC3=CC=NC(C(=O)[O-])=C3)C=C2)C1	REAL300003998525	1	50	0.0	-78.32	389.39	9.06	-69.26
C[N@@H+]1CCCC(C(=O)NC2=CC=C(OC3=CC=NC(C(=O)[O-])=C3)C=C2)C1	REAL300003998530	0	47	0.0	-70.06	371.37	8.38	-61.68
C[N@H+]1CCCC(C(=O)NC2=CC=C(OC3=CC=NC(C(=O)[O-])=C3)C=C2)C1	REAL300003998530	1	47	0.0	-70.06	371.37	8.38	-61.68
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COCCN1C=CC(NC(=O)C[N@H+]2CCCC(C(=O)[O-])C2)=N1	REAL300003999585	1	44	0.0	-52.71	348.40	5.97	-46.74
CCC1=NOC(C2=CC=C(CCNC(=O)C[N@@H+]3CCCC(C(=O)[O-])C3)C=C2)=N1	REAL300003999821	0	54	0.0	-55.07	425.94	8.14	-46.93
CCC1=NOC(C2=CC=C(CCNC(=O)C[N@H+]3CCCC(C(=O)[O-])C3)C=C2)=N1	REAL300003999821	1	54	0.0	-52.05	424.02	7.69	-44.36
O=C([O-])C1CCC[N@H+](CC(=O)NC2=CC=CC(C3=CC=C4OCCOC4=C3)=N2)C1	REAL300003999923	0	52	0.0	-59.59	402.14	9.77	-49.82
O=C([O-])C1CCC[N@@H+](CC(=O)NC2=CC=CC(C3=CC=C4OCCOC4=C3)=N2)C1	REAL300003999923	1	52	0.0	-56.09	407.58	9.75	-46.34